Sample records for structure theory relevant

  1. Identity theory and personality theory: mutual relevance.

    PubMed

    Stryker, Sheldon

    2007-12-01

    Some personality psychologists have found a structural symbolic interactionist frame and identity theory relevant to their work. This frame and theory, developed in sociology, are first reviewed. Emphasized in the review are a multiple identity conception of self, identities as internalized expectations derived from roles embedded in organized networks of social interaction, and a view of social structures as facilitators in bringing people into networks or constraints in keeping them out, subsequently, attention turns to a discussion of the mutual relevance of structural symbolic interactionism/identity theory and personality theory, looking to extensions of the current literature on these topics.

  2. Individuals' Life Structures in the Early Adulthood Period Based on Levinson's Theory

    ERIC Educational Resources Information Center

    Aktu, Yahya; Ilhan, Tahsin

    2017-01-01

    Early adulthood is one of the important milestones considered within lifelong development in the relevant literature. Adulthood is examined through various theories; however, universality of many of these is still being discussed. One of these theories is Levinson's theory of life structure. Thus, the current research aims to examine the extent to…

  3. The road not taken: Applications of fluorescence spectroscopy and electronic structure theory to systems of materials and biological relevance

    NASA Astrophysics Data System (ADS)

    Carlson, Philip Joseph

    Applications of Fluorescence Spectroscopy and Electronic Structure Theory to Systems of Materials and Biological Relevance. The photophysics of curcumin was studied in micelles and the solvation dynamics were probed. The high-energy ionic liquid HEATN was also studied using the fragment molecular orbital method. The solvation dynamics of the HEATN system were determined. This marks the first study of the solvation dynamics in a triazolium ionic liquid system.

  4. A Sociological Journey into Sexuality.

    ERIC Educational Resources Information Center

    Reiss, Ira L.

    1986-01-01

    Proposes that sexuality is universally linked to the social structure in three specific areas: (a) marital jealousy, (b) gender role power, and (c) beliefs about normality. Variations and interrelations of these three linkages are explained by the logical structure of this sociological theory. The relevance of this theory for the applied…

  5. Evidence-based selection of theories for designing behaviour change interventions: using methods based on theoretical construct domains to understand clinicians' blood transfusion behaviour.

    PubMed

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

    2009-11-01

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

  6. The geometrical structure of quantum theory as a natural generalization of information geometry

    NASA Astrophysics Data System (ADS)

    Reginatto, Marcel

    2015-01-01

    Quantum mechanics has a rich geometrical structure which allows for a geometrical formulation of the theory. This formalism was introduced by Kibble and later developed by a number of other authors. The usual approach has been to start from the standard description of quantum mechanics and identify the relevant geometrical features that can be used for the reformulation of the theory. Here this procedure is inverted: the geometrical structure of quantum theory is derived from information geometry, a geometrical structure that may be considered more fundamental, and the Hilbert space of the standard formulation of quantum mechanics is constructed using geometrical quantities. This suggests that quantum theory has its roots in information geometry.

  7. Selected Topics in Light Front Field Theory and Applications to the High Energy Phenomena

    NASA Astrophysics Data System (ADS)

    Kundu, Rajen

    1999-10-01

    In this thesis, we have presented some of the aspects of light-front (LF) field theory through their successful application in the Deep Inelastic Scattering (DIS). We have developed a LFQCD Hamiltonian description of the DIS structure functions starting from Bjorken-Johnson-Low limit of virtual forward Compton scattering amplitude and using LF current commutators. We worked in the LF gauge A^+=0 and used the old-fashioned LFQCD perturbation theory in our calculations. The importance of our work are summarized below. Our approach shares the intution of parton model and addresses directly the structure functions, which are experimental objects, instead of its moments as in OPE method. Moreover, it can potentially incorporate the non-perturbative contents of the structure functions as we have demonstrated by introducing a new factorization scheme. In the context of nucleonic helicity structure, the well known gauge fixed LF helicity operator is shown to provide consistent physical information and helps us defining new relevant structure functions. The anomalous dimensions relevant for the Q^2-evolution of such structure functions are calculated. Our study is important in establishing the equivalance of LF field theory and the usual equal-time one through perturbative calculations of the dressed parton structure functions reproducing the well known results. Also the importance of Gallilean boost symmetry in understanding the correctness of any higher order calculation using (x^+)-ordered LFQCD perturbation theory are emphasized.

  8. MOLECULAR THEORY OF HYDROPHOBIC EFFECTS: "She is too mean to have her name repeated."*

    NASA Astrophysics Data System (ADS)

    Pratt, Lawrence R.

    2002-10-01

    This paper reviews the molecular theory of hydrophobic effects relevant to biomolecular structure and assembly in aqueous solution. Recent progress has resulted in simple, validated molecular statistical thermodynamic theories and clarification of confusing theories of decades ago. Current work is resolving effects of wider variations of thermodynamic state, e.g., pressure denaturation of soluble proteins, and more exotic questions such as effects of surface chemistry in treating stability of macromolecular structures in aqueous solution.

  9. The geometrical structure of quantum theory as a natural generalization of information geometry

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

    Reginatto, Marcel

    2015-01-13

    Quantum mechanics has a rich geometrical structure which allows for a geometrical formulation of the theory. This formalism was introduced by Kibble and later developed by a number of other authors. The usual approach has been to start from the standard description of quantum mechanics and identify the relevant geometrical features that can be used for the reformulation of the theory. Here this procedure is inverted: the geometrical structure of quantum theory is derived from information geometry, a geometrical structure that may be considered more fundamental, and the Hilbert space of the standard formulation of quantum mechanics is constructed usingmore » geometrical quantities. This suggests that quantum theory has its roots in information geometry.« less

  10. Condition Based Maintenance Technology Impact Study: Assessment Methods, Study Design and Interim Results

    DTIC Science & Technology

    2014-07-01

    Unified Theory of Acceptance and Use of Technology, Structuration Model of Technology, UNCLASSIFIED DSTO-TR-2992 UNCLASSIFIED 5 Adaptive...Structuration Theory , Model of Mutual Adaptation, Model of Technology Appropriation, Diffusion/Implementation Model, and Tri-core Model, among others [11...simulation gaming essay/scenario writing genius forecasting role play/acting backcasting swot brainstorming relevance tree/logic chart scenario workshop

  11. Structure-property relation and relevance of beam theories for microtubules: a coupled molecular and continuum mechanics study.

    PubMed

    Li, Si; Wang, Chengyuan; Nithiarasu, Perumal

    2018-04-01

    Quasi-one-dimensional microtubules (MTs) in cells enjoy high axial rigidity but large transverse flexibility due to the inter-protofilament (PF) sliding. This study aims to explore the structure-property relation for MTs and examine the relevance of the beam theories to their unique features. A molecular structural mechanics (MSM) model was used to identify the origin of the inter-PF sliding and its role in bending and vibration of MTs. The beam models were then fitted to the MSM to reveal how they cope with the distinct mechanical responses induced by the inter-PF sliding. Clear evidence showed that the inter-PF sliding is due to the soft inter-PF bonds and leads to the length-dependent bending stiffness. The Euler beam theory is found to adequately describe MT deformation when the inter-PF sliding is largely prohibited. Nevertheless, neither shear deformation nor the nonlocal effect considered in the 'more accurate' beam theories can fully capture the effect of the inter-PF sliding. This reflects the distinct deformation mechanisms between an MT and its equivalent continuous body.

  12. Task-relevant perceptual features can define categories in visual memory too.

    PubMed

    Antonelli, Karla B; Williams, Carrick C

    2017-11-01

    Although Konkle, Brady, Alvarez, and Oliva (2010, Journal of Experimental Psychology: General, 139(3), 558) claim that visual long-term memory (VLTM) is organized on underlying conceptual, not perceptual, information, visual memory results from visual search tasks are not well explained by this theory. We hypothesized that when viewing an object, any task-relevant visual information is critical to the organizational structure of VLTM. In two experiments, we examined the organization of VLTM by measuring the amount of retroactive interference created by objects possessing different combinations of task-relevant features. Based on task instructions, only the conceptual category was task relevant or both the conceptual category and a perceptual object feature were task relevant. Findings indicated that when made task relevant, perceptual object feature information, along with conceptual category information, could affect memory organization for objects in VLTM. However, when perceptual object feature information was task irrelevant, it did not contribute to memory organization; instead, memory defaulted to being organized around conceptual category information. These findings support the theory that a task-defined organizational structure is created in VLTM based on the relevance of particular object features and information.

  13. Interacting Non-Abelian Anti-Symmetric Tensor Field Theories

    NASA Astrophysics Data System (ADS)

    Ekambaram, K.; Vytheeswaran, A. S.

    2018-04-01

    Non-Abelian Anti-symmetric Tensor fields interacting with vector fields have a complicated constraint structure. We enlarge the gauge invariance in this system. Relevant gauge invariant quantities including the Hamiltonian are obtained. We also make introductory remarks on a different but more complicated gauge theory.

  14. The Structure of Social Cognition: In(ter)dependence of Sociocognitive Processes.

    PubMed

    Happé, Francesca; Cook, Jennifer L; Bird, Geoffrey

    2017-01-03

    Social cognition is a topic of enormous interest and much research, but we are far from having an agreed taxonomy or factor structure of relevant processes. The aim of this review is to outline briefly what is known about the structure of social cognition and to suggest how further progress can be made to delineate the in(ter)dependence of core sociocognitive processes. We focus in particular on several processes that have been discussed and tested together in typical and atypical (notably autism spectrum disorder) groups: imitation, biological motion, empathy, and theory of mind. We consider the domain specificity/generality of core processes in social learning, reward, and attention, and we highlight the potential relevance of dual-process theories that distinguish systems for fast/automatic and slow/effortful processing. We conclude with methodological and conceptual suggestions for future progress in uncovering the structure of social cognition.

  15. The Emergence of Algebraic Structure: Students Come to Understand Units and Zero-Divisors

    ERIC Educational Resources Information Center

    Cook, John Paul

    2014-01-01

    Little is known about how students learn the basic ideas of ring theory. While the literature addressing student learning of group theory is certainly relevant, the concepts of zero-divisor and, more generally, elements with no multiplicative inverse are among those for which group theory has no analogue. In order to better understand how students…

  16. Disentangling environmental and spatial effects on phylogenetic structure of angiosperm tree communities in China.

    PubMed

    Qian, Hong; Chen, Shengbin; Zhang, Jin-Long

    2017-07-17

    Niche-based and neutrality-based theories are two major classes of theories explaining the assembly mechanisms of local communities. Both theories have been frequently used to explain species diversity and composition in local communities but their relative importance remains unclear. Here, we analyzed 57 assemblages of angiosperm trees in 0.1-ha forest plots across China to examine the effects of environmental heterogeneity (relevant to niche-based processes) and spatial contingency (relevant to neutrality-based processes) on phylogenetic structure of angiosperm tree assemblages distributed across a wide range of environment and space. Phylogenetic structure was quantified with six phylogenetic metrics (i.e., phylogenetic diversity, mean pairwise distance, mean nearest taxon distance, and the standardized effect sizes of these three metrics), which emphasize on different depths of evolutionary histories and account for different degrees of species richness effects. Our results showed that the variation in phylogenetic metrics explained independently by environmental variables was on average much greater than that explained independently by spatial structure, and the vast majority of the variation in phylogenetic metrics was explained by spatially structured environmental variables. We conclude that niche-based processes have played a more important role than neutrality-based processes in driving phylogenetic structure of angiosperm tree species in forest communities in China.

  17. Neptune - Unexpected and predicted: Prognosis of theory and Voyager-2 observations

    NASA Astrophysics Data System (ADS)

    Chechel'Nitskii, A. M.

    1992-08-01

    The impact of the Voyager-2 discoveries at Neptune on theory are reviewed. The theories of the shell structure of astronomical systems, shell hierarchy, the multicomponent cosmic medium, weak and power elite orbits, quantization of dynamic parameters, and transspheres are summarized and their relevance to the Neptune system, particularly the rings, is considered in the context of the findings of Voyager-2.

  18. The Multivariate Structure of Communication Avoidance.

    ERIC Educational Resources Information Center

    Bell, Robert A.

    1986-01-01

    Clarifies the nature of communication avoidance through a structural analysis grounded in facet theory. Presents evidence for a duplex model of avoidance in which theoretical distinctions among modalities of approach-avoidance and context proved empirically relevant. Discusses implications of these findings for the explication, treatment, and…

  19. Intelligence and Savant Syndrome: Is the Whole Greater than the Sum of the Fragments?

    ERIC Educational Resources Information Center

    Nettelbeck, Ted; Young, Robyn

    1996-01-01

    It is argued that skills displayed by savants are not intelligent and that H. Gardner's theory of multiple intelligences fails by overstating the relevance of savant skills and because it disregards research evidence for a general factor. Intelligence theory must compile a structure that accounts for savant skills and intelligence. (SLD)

  20. Women's Bodies as a "Puzzle" for College Men: Grounded Theory Research

    ERIC Educational Resources Information Center

    Koch, Patricia Barthalow

    2006-01-01

    The purpose of this study was to explore the level of college men's understanding about women's bodies (i.e., reproductive anatomy and physiology) in order to structure learning experiences of most relevance and interest to them. A grounded theory research design, using the constant comparative method, was used in order to gain a deeper…

  1. The Poetics of Argumentation: The Relevance of Conversational Repetition for Two Theories of Emergent Mathematical Reasoning

    ERIC Educational Resources Information Center

    Staats, Susan

    2017-01-01

    Poetic structures emerge in spoken language when speakers repeat grammatical phrases that were spoken before. They create the potential to amend or comment on previous speech, and to convey meaning through the structure of discourse. This paper considers the ways in which poetic structure analysis contributes to two perspectives on emergent…

  2. Reassessing the causal structure of enduring involvement

    Treesearch

    Jinhee Jun; Gerard T. Kyle; James D. Absher; William E. Hammitt

    2009-01-01

    Guided by tenets of identity theory, we hypothesized a causal structure of enduring involvement suggesting that self-relevant components precede the other dimensions. We used Kyle et al.'s (2004a) Modified Involvement Scale, in which leisure involvement is conceptualized as a multidimensional construct consisting of identity affirmation, identity expression,...

  3. Relevans og intention. To analyser af en massemedietekst om okonomisk politik. ROLIG-papir 33 (Relevance and Intention. Two Analyses of a Mass Media Text on Economic Politics. ROLIG-paper 33).

    ERIC Educational Resources Information Center

    Heltoft, Lars; Geist, Uwe

    The three papers in this publication analyze a newspaper article on "economic politics," or more specifically, the devaluing of the Danish kroner. The papers all examine some linguistic or structural feature of the language used in writing the article. Specific focus is on relevance theory and relevance in the article, the use of text…

  4. A coherent nonlinear theory of auroral Langmuir-Alfven-whistler (LAW) events in the planetary magnetosphere.

    NASA Astrophysics Data System (ADS)

    Lopes, S. R.; Chian, A. C.-L.

    1996-01-01

    A coherent nonlinear theory of three-wave coupling involving Langmuir, Alfven and whistler waves is formulated and applied to the observation of auroral LAW events in the planetary magnetosphere. The effects of pump depletion, dissipation and frequency mismatch in the nonlinear wave dynamics are analyzed. The relevance of this theory for understanding the fine structures of auroral whistler-mode emissions and amplitude modulations of auroral Langmuir waves is discussed.

  5. Plasma Disks and Rings with ``High'' Magnetic Energy Densities

    NASA Astrophysics Data System (ADS)

    Coppi, B.; Rousseau, F.

    2006-04-01

    The nonlinear theory of rotating axisymmetric thin structures in which the magnetic field energy density is comparable with the thermal plasma energy density is formulated. The only flow velocity included in the theory is the velocity of rotation around a central object whose gravity is dominant. The periodic sequence, in the radial direction, of pairs of opposite current channels that can form is shown to lead to relatively large plasma density and pressure modulations, while the relevant magnetic surfaces can acquire a ``crystal structure.'' A new class of equilibria consisting of a series of plasma rings is identified, in the regimes where the plasma pressure is comparable to the magnetic pressure associated with the fields produced by the internal currents. The possible relevance of this result to the formation of dusty plasma rings is pointed out.

  6. Theory of mind, social development, and psychosis.

    PubMed

    Casacchia, Massimo; Mazza, Monica; Roncone, Rita

    2004-06-01

    The difficulty in interpreting other people's mental states found in children with autism and in people affected by schizophrenia may be explained in terms of a unique mental process called Theory of Mind. The paper discusses the main operational issues of such a peculiar aspect of social cognition, the Theory of Mind, and its implication in schizophrenia, including a review of its related neural structures. Theory of Mind abilities may be a relevant aspect of social interaction involving people affected by schizophrenia, and they need to be further investigated in clinical research.

  7. What Learning Systems do Intelligent Agents Need? Complementary Learning Systems Theory Updated.

    PubMed

    Kumaran, Dharshan; Hassabis, Demis; McClelland, James L

    2016-07-01

    We update complementary learning systems (CLS) theory, which holds that intelligent agents must possess two learning systems, instantiated in mammalians in neocortex and hippocampus. The first gradually acquires structured knowledge representations while the second quickly learns the specifics of individual experiences. We broaden the role of replay of hippocampal memories in the theory, noting that replay allows goal-dependent weighting of experience statistics. We also address recent challenges to the theory and extend it by showing that recurrent activation of hippocampal traces can support some forms of generalization and that neocortical learning can be rapid for information that is consistent with known structure. Finally, we note the relevance of the theory to the design of artificial intelligent agents, highlighting connections between neuroscience and machine learning. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. A state-of-the-art review of transportation systems evaluation techniques relevant to air transportation, volume 1. [urban planning and urban transportation using decision theory

    NASA Technical Reports Server (NTRS)

    Haefner, L. E.

    1975-01-01

    Mathematical and philosophical approaches are presented for evaluation and implementation of ground and air transportation systems. Basic decision processes are examined that are used for cost analyses and planning (i.e, statistical decision theory, linear and dynamic programming, optimization, game theory). The effects on the environment and the community that a transportation system may have are discussed and modelled. Algorithmic structures are examined and selected bibliographic annotations are included. Transportation dynamic models were developed. Citizen participation in transportation projects (i.e, in Maryland and Massachusetts) is discussed. The relevance of the modelling and evaluation approaches to air transportation (i.e, airport planning) is examined in a case study in St. Louis, Missouri.

  9. Representation of molecular structure using quantum topology with inductive logic programming in structure-activity relationships.

    PubMed

    Buttingsrud, Bård; Ryeng, Einar; King, Ross D; Alsberg, Bjørn K

    2006-06-01

    The requirement of aligning each individual molecule in a data set severely limits the type of molecules which can be analysed with traditional structure activity relationship (SAR) methods. A method which solves this problem by using relations between objects is inductive logic programming (ILP). Another advantage of this methodology is its ability to include background knowledge as 1st-order logic. However, previous molecular ILP representations have not been effective in describing the electronic structure of molecules. We present a more unified and comprehensive representation based on Richard Bader's quantum topological atoms in molecules (AIM) theory where critical points in the electron density are connected through a network. AIM theory provides a wealth of chemical information about individual atoms and their bond connections enabling a more flexible and chemically relevant representation. To obtain even more relevant rules with higher coverage, we apply manual postprocessing and interpretation of ILP rules. We have tested the usefulness of the new representation in SAR modelling on classifying compounds of low/high mutagenicity and on a set of factor Xa inhibitors of high and low affinity.

  10. Dynamics of Structures in Configuration Space and Phase Space: An Introductory Tutorial

    NASA Astrophysics Data System (ADS)

    Diamond, P. H.; Kosuga, Y.; Lesur, M.

    2015-12-01

    Some basic ideas relevant to the dynamics of phase space and real space structures are presented in a pedagogical fashion. We focus on three paradigmatic examples, namely; G. I. Taylor's structure based re-formulation of Rayleigh's stability criterion and its implications for zonal flow momentum balance relations; Dupree's mechanism for nonlinear current driven ion acoustic instability and its implication for anomalous resistivity; and the dynamics of structures in drift and gyrokinetic turbulence and their relation to zonal flow physics. We briefly survey the extension of mean field theory to calculate evolution in the presence of localized structures for regimes where Kubo number K ≃ 1 rather than K ≪ 1, as is usual for quasilinear theory.

  11. The structure and appearance of winds from supercritical accretion disks. II - Dynamical theory of supercritical winds

    NASA Technical Reports Server (NTRS)

    Meier, D. L.

    1982-01-01

    A general analytic theory is presented of winds driven by super-Eddington luminosities. The relevant parameters are the mass of the central object, the radius at which the luminosity and matter are injected, the ratio of the free-fall time to the heating time at this radius, and the total luminosity injected at the radius. Several different regimes of dynamical wind structure are identified, and the analytic expressions are shown to agree with the numerical results in Meier (1979) in the appropriate case. It is noted that, in its general form, the theory is the optically thick (to electron scattering) counterpart to optically thin radiation pressure-driven stellar winds.

  12. Practical inquiry/theory in nursing.

    PubMed

    Stevenson, Chris

    2005-04-01

    This paper explores a social constructionist, pragmatist approach to inquiry and theory-building with a view to exploring its relevance for nursing as a practical discipline. Positivist and postpositivist inquiry approaches in practical disciplines have produced "detached" theories that lack relevance for everyday practice and so sustain the theory-practice gap. Both meta- and mid-range theories tend to see practice as fixed or fixable rather than being enacted in a state of flux. Practical inquiry and theory are described structurally and as co-dependent processes. The research process is sensitive to the influence of context and consists of construction rather than capture. Practical theory is judged in terms of whether it helps people to "go on with" their lives. Practical inquiry/practical theory is superimposed on a previous nursing study in the field of mental health to illustrate how it can account for the processes of clinical research. In particular, the illustration demonstrates the surrender of researcher objectivity in the interests of collaborative understanding that occurs with practical inquiry/theory. Shared meaning arises as rich constructs of the research situation are developed that point to future possibilities for action for all those engaged in the research process. Practical inquiry/theory offers the means to conduct cogent, collaborative, developmental research, although further "trying out" is required.

  13. Reprint of: Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers

    DOE PAGES

    Su, Gregory M.; Cordova, Isvar A.; Brady, Michael A.; ...

    2016-11-01

    An improved understanding of fundamental chemistry, electronic structure, morphology, and dynamics in polymers and soft materials requires advanced characterization techniques that are amenable to in situ and operando studies. Soft X-ray methods are especially useful in their ability to non-destructively provide information on specific materials or chemical moieties. Analysis of these experiments, which can be very dependent on X-ray energy and polarization, can quickly become complex. Complementary modeling and predictive capabilities are required to properly probe these critical features. Here in this paper, we present relevant background on this emerging suite of techniques. We focus on how the combination ofmore » theory and experiment has been applied and can be further developed to drive our understanding of how these methods probe relevant chemistry, structure, and dynamics in soft materials.« less

  14. Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers

    DOE PAGES

    Su, Gregory M.; Cordova, Isvar A.; Brady, Michael A.; ...

    2016-07-04

    We present that an improved understanding of fundamental chemistry, electronic structure, morphology, and dynamics in polymers and soft materials requires advanced characterization techniques that are amenable to in situ and operando studies. Soft X-ray methods are especially useful in their ability to non-destructively provide information on specific materials or chemical moieties. Analysis of these experiments, which can be very dependent on X-ray energy and polarization, can quickly become complex. Complementary modeling and predictive capabilities are required to properly probe these critical features. Here, we present relevant background on this emerging suite of techniques. Finally, we focus on how the combinationmore » of theory and experiment has been applied and can be further developed to drive our understanding of how these methods probe relevant chemistry, structure, and dynamics in soft materials.« less

  15. Sensitivity to Structure in the Speech Signal by Children with Speech Sound Disorder and Reading Disability

    PubMed Central

    Johnson, Erin Phinney; Pennington, Bruce F.; Lowenstein, Joanna H.; Nittrouer, Susan

    2011-01-01

    Purpose Children with speech sound disorder (SSD) and reading disability (RD) have poor phonological awareness, a problem believed to arise largely from deficits in processing the sensory information in speech, specifically individual acoustic cues. However, such cues are details of acoustic structure. Recent theories suggest that listeners also need to be able to integrate those details to perceive linguistically relevant form. This study examined abilities of children with SSD, RD, and SSD+RD not only to process acoustic cues but also to recover linguistically relevant form from the speech signal. Method Ten- to 11-year-olds with SSD (n = 17), RD (n = 16), SSD+RD (n = 17), and Controls (n = 16) were tested to examine their sensitivity to (1) voice onset times (VOT); (2) spectral structure in fricative-vowel syllables; and (3) vocoded sentences. Results Children in all groups performed similarly with VOT stimuli, but children with disorders showed delays on other tasks, although the specifics of their performance varied. Conclusion Children with poor phonemic awareness not only lack sensitivity to acoustic details, but are also less able to recover linguistically relevant forms. This is contrary to one of the main current theories of the relation between spoken and written language development. PMID:21329941

  16. Structural Decoupling between the VET and the Employment Systems: Challenges Manifested in Assessment of Practical Training

    ERIC Educational Resources Information Center

    Umarik, Meril; Loogma, Krista; Hinno, Krista

    2010-01-01

    This article aims to analyse how structural decoupling, which is an especially relevant problem for school-based vocational education and training (VET) systems, reveals itself in the assessment of practical training. Niklas Luhmann's social system theory has been applied to the analysis of assessment practices as a communication act between the…

  17. Reply to David Kemmerer's "a critique of Mark D. Allen's 'the preservation of verb subcategory knowledge in a spoken language comprehension deficit'".

    PubMed

    Allen, Mark D; Owens, Tyler E

    2008-07-01

    Allen [Allen, M. D. (2005). The preservation of verb subcategory knowledge in a spoken language comprehension deficit. Brain and Language, 95, 255-264] presents evidence from a single patient, WBN, to motivate a theory of lexical processing and representation in which syntactic information may be encoded and retrieved independently of semantic information. In his critique, Kemmerer argues that because Allen depended entirely on preposition-based verb subcategory violations to test WBN's knowledge of correct argument structure, his results, at best, address a "strawman" theory. This argument rests on the assumption that preposition subcategory options are superficial syntactic phenomena which are not represented by argument structure proper. We demonstrate that preposition subcategory is in fact treated as semantically determined argument structure in the theories that Allen evaluated, and thus far from irrelevant. In further discussion of grammatically relevant versus irrelevant semantic features, Kemmerer offers a review of his own studies. However, due to an important design shortcoming in these experiments, we remain unconvinced. Reemphasizing the fact the Allen (2005) never claimed to rule out all semantic contributions to syntax, we propose an improvement in Kemmerer's approach that might provide more satisfactory evidence on the distinction between the kinds of relevant versus irrelevant features his studies have addressed.

  18. The Schwarzian theory — origins

    NASA Astrophysics Data System (ADS)

    Mertens, Thomas G.

    2018-05-01

    In this paper we further study the 1d Schwarzian theory, the universal low-energy limit of Sachdev-Ye-Kitaev models, using the link with 2d Liouville theory. We provide a path-integral derivation of the structural link between both theories, and study the relation between 3d gravity, 2d Jackiw-Teitelboim gravity, 2d Liouville and the 1d Schwarzian. We then generalize the Schwarzian double-scaling limit to rational models, relevant for SYK-type models with internal symmetries. We identify the holographic gauge theory as a 2d BF theory and compute correlators of the holographically dual 1d particle-on-a-group action, decomposing these into diagrammatic building blocks, in a manner very similar to the Schwarzian theory.

  19. Economic distress and cause-of-death patterns for black and non-black men in Chicago: reconsidering the relevance of classic epidemiological transition theory.

    PubMed

    Palazzo, Lorella; Guest, Avery; Almgren, Gunnar

    2003-01-01

    The mortality disadvantage of African Americans is well documented, but previous studies have not considered its implications for population theory in the general case of industrialized nation states with high levels of income inequality. This paper examines the relevance of classic epidemiological theory to the extremes of income and mortality observed in Chicago, one of America's most racially divided cities. We analyze cause-specific death rates for black and non-black male populations residing in Chicago's community areas by using linked data from the 1990 Census and from 1989-1991 individual death certificates. The same cause-of-death patterns explain much of the mortality of black and non-black men. These two major structures include one, degenerative diseases, the other, "tough-living" causes (accidents, homicides, and liver disease). Community socioeconomic status is strongly related to tough-living deaths within each racial group, and to degenerative deaths for African Americans. Black men's tough-living mortality is much greater than non-blacks', but their younger age structure suppresses their degenerative death rates. Aggregate unemployment and social disorganization account for the most salient disparities in mortality across racial groups. This patterning of mortality along a socioeconomic continuum supports epidemiological theory and extends its applicability to highly unequal populations within industrialized countries.

  20. A primer in macromolecular linguistics.

    PubMed

    Searls, David B

    2013-03-01

    Polymeric macromolecules, when viewed abstractly as strings of symbols, can be treated in terms of formal language theory, providing a mathematical foundation for characterizing such strings both as collections and in terms of their individual structures. In addition this approach offers a framework for analysis of macromolecules by tools and conventions widely used in computational linguistics. This article introduces the ways that linguistics can be and has been applied to molecular biology, covering the relevant formal language theory at a relatively nontechnical level. Analogies between macromolecules and human natural language are used to provide intuitive insights into the relevance of grammars, parsing, and analysis of language complexity to biology. Copyright © 2012 Wiley Periodicals, Inc.

  1. Communication: Relationship between local structure and the stability of water in hydrophobic confinement

    NASA Astrophysics Data System (ADS)

    Altabet, Y. Elia; Debenedetti, Pablo G.

    2017-12-01

    Liquid water confined between nanoscale hydrophobic objects can become metastable with respect to its vapor at nanoscale separations. While the separations are only several molecular diameters, macroscopic theories are often invoked to interpret the thermodynamics and kinetics of water under confinement. We perform detailed rate and free energy calculations via molecular simulations in order to assess the dependence of the rate of evaporation, free energy barriers, and free energy differences between confined liquid and vapor upon object separation and compare them to the relevant macroscopic theories. At small enough separations, the rate of evaporation appears to deviate significantly from the predictions of classical nucleation theory, and we attribute such deviations to changes in the structure of the confined liquid film. However, the free energy difference between the confined liquid and vapor phases agrees quantitatively with macroscopic theory, and the free energy barrier to condensation displays qualitative agreement. Overall, the present work suggests that theories attempting to capture the kinetic behavior of nanoscale systems should incorporate structural details rather than treating it as a continuum.

  2. Relevance theory: pragmatics and cognition.

    PubMed

    Wearing, Catherine J

    2015-01-01

    Relevance Theory is a cognitively oriented theory of pragmatics, i.e., a theory of language use. It builds on the seminal work of H.P. Grice(1) to develop a pragmatic theory which is at once philosophically sensitive and empirically plausible (in both psychological and evolutionary terms). This entry reviews the central commitments and chief contributions of Relevance Theory, including its Gricean commitment to the centrality of intention-reading and inference in communication; the cognitively grounded notion of relevance which provides the mechanism for explaining pragmatic interpretation as an intention-driven, inferential process; and several key applications of the theory (lexical pragmatics, metaphor and irony, procedural meaning). Relevance Theory is an important contribution to our understanding of the pragmatics of communication. © 2014 John Wiley & Sons, Ltd.

  3. Hilbert space structure in quantum gravity: an algebraic perspective

    DOE PAGES

    Giddings, Steven B.

    2015-12-16

    If quantum gravity respects the principles of quantum mechanics, suitably generalized, it may be that a more viable approach to the theory is through identifying the relevant quantum structures rather than by quantizing classical spacetime. Here, this viewpoint is supported by difficulties of such quantization, and by the apparent lack of a fundamental role for locality. In finite or discrete quantum systems, important structure is provided by tensor factorizations of the Hilbert space. However, even in local quantum field theory properties of the generic type III von Neumann algebras and of long range gauge fields indicate that factorization of themore » Hilbert space is problematic. Instead it is better to focus on the structure of the algebra of observables, and in particular on its subalgebras corresponding to regions. This paper suggests that study of analogous algebraic structure in gravity gives an important perspective on the nature of the quantum theory. Significant departures from the subalgebra structure of local quantum field theory are found, working in the correspondence limit of long-distances/low-energies. Particularly, there are obstacles to identifying commuting algebras of localized operators. In addition to suggesting important properties of the algebraic structure, this and related observations pose challenges to proposals of a fundamental role for entanglement.« less

  4. Hilbert space structure in quantum gravity: an algebraic perspective

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

    Giddings, Steven B.

    If quantum gravity respects the principles of quantum mechanics, suitably generalized, it may be that a more viable approach to the theory is through identifying the relevant quantum structures rather than by quantizing classical spacetime. Here, this viewpoint is supported by difficulties of such quantization, and by the apparent lack of a fundamental role for locality. In finite or discrete quantum systems, important structure is provided by tensor factorizations of the Hilbert space. However, even in local quantum field theory properties of the generic type III von Neumann algebras and of long range gauge fields indicate that factorization of themore » Hilbert space is problematic. Instead it is better to focus on the structure of the algebra of observables, and in particular on its subalgebras corresponding to regions. This paper suggests that study of analogous algebraic structure in gravity gives an important perspective on the nature of the quantum theory. Significant departures from the subalgebra structure of local quantum field theory are found, working in the correspondence limit of long-distances/low-energies. Particularly, there are obstacles to identifying commuting algebras of localized operators. In addition to suggesting important properties of the algebraic structure, this and related observations pose challenges to proposals of a fundamental role for entanglement.« less

  5. Symmetries and BI-Hamiltonian Structures of 2+1 Dimensional Systems,

    DTIC Science & Technology

    1986-01-01

    and 0 aisociated with the Kadomtsev - 12 12 Petviashvili (KP) equation 2 -1qtq + 6qqx+ 3aD-q, (1.2) we have developed the theory associated with...generalized to equations in muLtidimensions. Applications to physically relevant equations like the Kadomcsev- Petviashvili equation are illustrated...integro-differenrial evo- lucion equations like the Benjamin-Ono equation are shown to be also described by this generalized V theory. IDSTEBO STP8 3

  6. Quantum physics in neuroscience and psychology: A neurophysicalmodel of the mind/brain interaction

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

    Schwartz, Jeffrey M.; Stapp, Henry P.; Beauregard, Mario

    Neuropsychological research on the neural basis of behavior generally posits that brain mechanisms will ultimately suffice to explain all psychologically described phenomena. This assumption stems from the idea that the brain is made up entirely of material particles and fields, and that all causal mechanisms relevant to neuroscience can therefore be formulated solely in terms of properties of these elements. Thus terms having intrinsic mentalistic and/or experiential content (e.g., ''feeling,'' ''knowing,'' and ''effort'') are not included as primary causal factors. This theoretical restriction is motivated primarily by ideas about the natural world that have been known to be fundamentally incorrectmore » for more than three quarters of a century. Contemporary basic physical theory differs profoundly from classical physics on the important matter of how the consciousness of human agents enters into the structure of empirical phenomena. The new principles contradict the older idea that local mechanical processes alone can account for the structure of all observed empirical data. Contemporary physical theory brings directly and irreducibly into the overall causal structure certain psychologically described choices made by human agents about how they will act. This key development in basic physical theory is applicable to neuroscience, and it provides neuroscientists and psychologists with an alternative conceptual framework for describing neural processes. Indeed, due to certain structural features of ion channels critical to synaptic function, contemporary physical theory must in principle be used when analyzing human brain dynamics. The new framework, unlike its classical-physics-based predecessor is erected directly upon, and is compatible with, the prevailing principles of physics, and is able to represent more adequately than classical concepts the neuroplastic mechanisms relevant to the growing number of empirical studies of the capacity of directed attention and mental effort to systematically alter brain function.« less

  7. Quantum physics in neuroscience and psychology: a neurophysical model of mind–brain interaction

    PubMed Central

    Schwartz, Jeffrey M; Stapp, Henry P; Beauregard, Mario

    2005-01-01

    Neuropsychological research on the neural basis of behaviour generally posits that brain mechanisms will ultimately suffice to explain all psychologically described phenomena. This assumption stems from the idea that the brain is made up entirely of material particles and fields, and that all causal mechanisms relevant to neuroscience can therefore be formulated solely in terms of properties of these elements. Thus, terms having intrinsic mentalistic and/or experiential content (e.g. ‘feeling’, ‘knowing’ and ‘effort’) are not included as primary causal factors. This theoretical restriction is motivated primarily by ideas about the natural world that have been known to be fundamentally incorrect for more than three-quarters of a century. Contemporary basic physical theory differs profoundly from classic physics on the important matter of how the consciousness of human agents enters into the structure of empirical phenomena. The new principles contradict the older idea that local mechanical processes alone can account for the structure of all observed empirical data. Contemporary physical theory brings directly and irreducibly into the overall causal structure certain psychologically described choices made by human agents about how they will act. This key development in basic physical theory is applicable to neuroscience, and it provides neuroscientists and psychologists with an alternative conceptual framework for describing neural processes. Indeed, owing to certain structural features of ion channels critical to synaptic function, contemporary physical theory must in principle be used when analysing human brain dynamics. The new framework, unlike its classic-physics-based predecessor, is erected directly upon, and is compatible with, the prevailing principles of physics. It is able to represent more adequately than classic concepts the neuroplastic mechanisms relevant to the growing number of empirical studies of the capacity of directed attention and mental effort to systematically alter brain function. PMID:16147524

  8. Cooperation, Coordination, and Trust in Virtual Teams: Insights from Virtual Games

    NASA Astrophysics Data System (ADS)

    Korsgaard, M. Audrey; Picot, Arnold; Wigand, Rolf T.; Welpe, Isabelle M.; Assmann, Jakob J.

    This chapter considers fundamental concepts of effective virtual teams, illustrated by research on Travian, a massively multiplayer online strategy game wherein players seek to build empires. Team inputs are the resources that enable individuals to work interdependently toward a common goal, including individual and collective capabilities, shared knowledge structures, and leadership style. Team processes, notably coordination and cooperation, transform team inputs to desired collective outcomes. Because the members of virtual teams are geographically dispersed, relying on information and communication technology, three theories are especially relevant for understanding how they can function effectively: social presence theory, media richness theory, and media synchronicity theory. Research in settings like Travian can inform our understanding of structures, processes, and performance of virtual teams. Such research could provide valuable insight into the emergence and persistence of trust and cooperation, as well as the impact of different communication media for coordination and information management in virtual organizations.

  9. Iconicity as structure mapping

    PubMed Central

    Emmorey, Karen

    2014-01-01

    Linguistic and psycholinguistic evidence is presented to support the use of structure-mapping theory as a framework for understanding effects of iconicity on sign language grammar and processing. The existence of structured mappings between phonological form and semantic mental representations has been shown to explain the nature of metaphor and pronominal anaphora in sign languages. With respect to processing, it is argued that psycholinguistic effects of iconicity may only be observed when the task specifically taps into such structured mappings. In addition, language acquisition effects may only be observed when the relevant cognitive abilities are in place (e.g. the ability to make structural comparisons) and when the relevant conceptual knowledge has been acquired (i.e. information key to processing the iconic mapping). Finally, it is suggested that iconicity is better understood as a structured mapping between two mental representations than as a link between linguistic form and human experience. PMID:25092669

  10. Theoretical Methods of Domain Structures in Ultrathin Ferroelectric Films: A Review

    PubMed Central

    Liu, Jianyi; Chen, Weijin; Wang, Biao; Zheng, Yue

    2014-01-01

    This review covers methods and recent developments of the theoretical study of domain structures in ultrathin ferroelectric films. The review begins with an introduction to some basic concepts and theories (e.g., polarization and its modern theory, ferroelectric phase transition, domain formation, and finite size effects, etc.) that are relevant to the study of domain structures in ultrathin ferroelectric films. Basic techniques and recent progress of a variety of important approaches for domain structure simulation, including first-principles calculation, molecular dynamics, Monte Carlo simulation, effective Hamiltonian approach and phase field modeling, as well as multiscale simulation are then elaborated. For each approach, its important features and relative merits over other approaches for modeling domain structures in ultrathin ferroelectric films are discussed. Finally, we review recent theoretical studies on some important issues of domain structures in ultrathin ferroelectric films, with an emphasis on the effects of interfacial electrostatics, boundary conditions and external loads. PMID:28788198

  11. On Teaching Thermodynamics

    ERIC Educational Resources Information Center

    Debbasch, F.

    2011-01-01

    The logical structure of classical thermodynamics is presented in a modern, geometrical manner. The first and second law receive clear, operatively oriented statements and the Gibbs free energy extremum principle is fully discussed. Applications relevant to chemistry, such as phase transitions, dilute solutions theory and, in particular, the law…

  12. A Framework of Factors Influencing ANSA Decision Making (Structure des Facteurs Agissant sur le Processus Decisionel des Acteurs Armes non Etatiques)

    DTIC Science & Technology

    2010-12-01

    Contractor was tasked to systematically identify and critically assess scientific literature of relevance to elaborating a theory of ANSA strategic decision...processus décisionnel des AANE et permettra de déterminer quand et comment intervenir afin d’arriver à des résultats plus positifs. Les auteurs ont fait...Jackson 2009) .................................... 13 List of tables Table 1 Theories of decision making

  13. Principles of Design for High Performing Organizations: An Assessment of the State of the Field of Organizational Design Research

    DTIC Science & Technology

    1994-03-01

    asked whether the planned structure considered (a) all objectives, (b) all functions, (c) all relevant units of analysis such as the plant , the...literature and provides an integrative model of design for high perfor-ming organizations. The model is based on an analysis of current theories of...important midrange theories underlie much of the work on organizational analysis . 0 Systems Approaches. These approaches emphasize the rational, goal

  14. Relevance of deterministic chaos theory to studies in functioning of dynamical systems

    NASA Astrophysics Data System (ADS)

    Glagolev, S. N.; Bukhonova, S. M.; Chikina, E. D.

    2018-03-01

    The paper considers chaotic behavior of dynamical systems typical for social and economic processes. Approaches to analysis and evaluation of system development processes are studies from the point of view of controllability and determinateness. Explanations are given for necessity to apply non-standard mathematical tools to explain states of dynamical social and economic systems on the basis of fractal theory. Features of fractal structures, such as non-regularity, self-similarity, dimensionality and fractionality are considered.

  15. Tachyonic quench in a free bosonic field theory

    NASA Astrophysics Data System (ADS)

    Montes, Sebastián; Sierra, Germán; Rodríguez-Laguna, Javier

    2018-02-01

    We present a characterization of a bosonic field theory driven by a free (Gaussian) tachyonic Hamiltonian. This regime is obtained from a theory describing two coupled bosonic fields after a regular quench. Relevant physical quantities such as simple correlators, entanglement entropies, and the mutual information of disconnected subregions are computed. We show that the causal structure resembles a critical (massless) quench. For short times, physical quantities also resemble critical quenches. However, exponential divergences end up dominating the dynamics in a very characteristic way. This is related to the fact that the low-frequency modes do not equilibrate. Some applications and extensions are outlined.

  16. A Worksheet for Ethics Instruction and Exercises in Reason.

    ERIC Educational Resources Information Center

    Bivins, Thomas H.

    1993-01-01

    Argues that teaching applied mass media ethics requires two vital components: a grounding in the relevant ethical theories, and a structured approach to analyzing the issues in case-study format. Presents a worksheet model that provides such an approach over a wide range of issues. (SR)

  17. Gauged supergravities from M-theory reductions

    NASA Astrophysics Data System (ADS)

    Katmadas, Stefanos; Tomasiello, Alessandro

    2018-04-01

    In supergravity compactifications, there is in general no clear prescription on how to select a finite-dimensional family of metrics on the internal space, and a family of forms on which to expand the various potentials, such that the lower-dimensional effective theory is supersymmetric. We propose a finite-dimensional family of deformations for regular Sasaki-Einstein seven-manifolds M 7, relevant for M-theory compactifications down to four dimensions. It consists of integrable Cauchy-Riemann structures, corresponding to complex deformations of the Calabi-Yau cone M 8 over M 7. The non-harmonic forms we propose are the ones contained in one of the Kohn-Rossi cohomology groups, which is finite-dimensional and naturally controls the deformations of Cauchy-Riemann structures. The same family of deformations can be also described in terms of twisted cohomology of the base M 6, or in terms of Milnor cycles arising in deformations of M 8. Using existing results on SU(3) structure compactifications, we briefly discuss the reduction of M-theory on our class of deformed Sasaki-Einstein manifolds to four-dimensional gauged supergravity.

  18. Approaching archetypes: reconsidering innateness.

    PubMed

    Goodwyn, Erik

    2010-09-01

    The question of innateness has hounded Jungian psychology since Jung originally postulated the archetype as an a priori structure within the psyche. During his life and after his death he was continually accused of Lamarckianism and criticized for his theory that the archetypes existed as prior structures. More recently, with the advent of genetic research and the human genome project, the idea that psychological structures can be innate has come under even harsher criticism even within Jungian thought. There appears to be a growing consensus that Jung's idea of innate psychological structures was misguided, and that perhaps the archetype-as-such should be abandoned for more developmental and 'emergent' theories of the psyche. The purpose of this essay is to question this conclusion, and introduce some literature on psychological innateness that appears relevant to this discussion. © 2010, The Society of Analytical Psychology.

  19. Theoretical Commitment and Implicit Knowledge: Why Anomalies do not Trigger Learning

    NASA Astrophysics Data System (ADS)

    Ohlsson, Stellan

    A theory consists of a mental model, laws that specify parameters of the model and one or more explanatory schemas. Models represent by being isomorphic to real systems. To explain an event is to reenact its genesis by executing the relevant model in the mind's eye. Schemas capture recurring structural features of explanations. To subscribe to a theory is to be committed to explaining a particular class of events with that theory (and nothing else). Given theoretical commitment, an anomaly, i.e., an event that cannot be explained, is an occasion for theory change, but in the absence of commitment, the response is instead to exclude the anomalous event from the domain of application of the theory. Lay people and children hold their theories implicitly and hence without commitment. These observations imply that the analogy between scientist's theories and children's knowledge is valid, but that the analogy between theory change and learning is not.

  20. Talcott Parsons and the Theory of Action. I. The Structure of the Kantian Core.

    ERIC Educational Resources Information Center

    Munch, Richard

    1981-01-01

    Hypothesizes that a correct understanding of Talcott Parsons' research must be based on realization that it is essentially a progressive elaboration and refinement of Immanuel Kant's transcendental philosophy. A review of relevant literature is presented and implications for research in sociology are suggested.

  1. Competence-Based Knowledge Structures for Personalised Learning

    ERIC Educational Resources Information Center

    Heller, Jurgen; Steiner, Christina; Hockemeyer, Cord; Albert, Dietrich

    2006-01-01

    Competence-based extensions of Knowledge Space Theory are suggested as a formal framework for implementing key features of personalised learning in technology-enhanced learning. The approach links learning objects and assessment problems to the relevant skills that are taught or required. Various ways to derive these skills from domain ontologies…

  2. Sex Differences in Spatial Performance in the Elderly: A Review of the Literature and Suggestions for Research

    ERIC Educational Resources Information Center

    Cohen, Donna

    1977-01-01

    This paper reviews the literature on sex differences in spatial performance in older persons, proposes a theory of measurement, operational psychogenetic structuralism, for the analysis of sex differences in cognition, and suggests research directions relevant to educational gerontology. (Author)

  3. Understanding Language: A Primer for the Language Arts Teacher.

    ERIC Educational Resources Information Center

    Malmstrom, Jean

    This volume aims to bridge the gap between language arts teaching and linguistic theory. Part one discusses selected aspects of linguistics that are relevant to language arts teaching: the acquisition and development of language during childhood; the English sound system and its relation to spellings and meanings; traditional, structural, and…

  4. Innateness Claims in Psycholinguistics.

    ERIC Educational Resources Information Center

    Lamendella, John T.

    While agreeing with psycholinguistic and neurolinguistic theories that suggest that innate language-related cognitive structures are the basis of language development, the author seeks to establish what it is that is innate and what is meant by innateness in the first place. The author considers the claims of psychological relevance made on behalf…

  5. Chiral effective theory methods and their application to the structure of hadrons from lattice QCD

    NASA Astrophysics Data System (ADS)

    Shanahan, P. E.

    2016-12-01

    For many years chiral effective theory (ChEFT) has enabled and supported lattice QCD calculations of hadron observables by allowing systematic effects from unphysical lattice parameters to be controlled. In the modern era of precision lattice simulations approaching the physical point, ChEFT techniques remain valuable tools. In this review we discuss the modern uses of ChEFT applied to lattice studies of hadron structure in the context of recent determinations of important and topical quantities. We consider muon g-2, strangeness in the nucleon, the proton radius, nucleon polarizabilities, and sigma terms relevant to the prediction of dark-matter-hadron interaction cross-sections, among others.

  6. Metaphysical Underdetermination and Logical Determination: the Case of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Arenhart, Jonas R. B.

    2014-03-01

    The `underdetermination of metaphysics by the physics' is the thesis that our best scientific theories do not uniquely determine their ontologies. Non-relativistic quantum mechanics is famously thought to exemplify this kind of underdetermination: it may be seen as compatible with both an ontology of individual objects and with an ontology of non-individual objects. A possible way out of the dilema thus created consists in adopting some version of Ontic Structural Realism (OSR), a view according to which the metaphysically relevant aspect of the theory is its structure, not the nature of the objects dealt with. According to OSR, particular objects may be dispensed with (eliminated or re-conceptualized) in favor of the structure of the theory. In this paper we shall argue that the underdetermination of metaphysics by the physics is a consequence of a too strict naturalism in ontology. As a result, when a mitigated ontological naturalism is taken into account, underdetermination does not appear to have such dark consequences for object-oriented ontologies in quantum mechanics.

  7. Relevance of Internal Friction and Structural Constraints for the Dynamics of Denatured Bovine Serum Albumin.

    PubMed

    Ameseder, Felix; Radulescu, Aurel; Holderer, Olaf; Falus, Peter; Richter, Dieter; Stadler, Andreas M

    2018-05-17

    A general property of disordered proteins is their structural expansion that results in a high molecular flexibility. The structure and dynamics of bovine serum albumin (BSA) denatured by guanidinium hydrochloride (GndCl) were investigated using small-angle neutron scattering (SANS) and neutron spin-echo spectroscopy (NSE). SANS experiments demonstrated the relevance of intrachain interactions for structural expansion. Using NSE experiments, we observed a high internal flexibility of denatured BSA in addition to center-of-mass diffusion detected by dynamic light scattering. Internal motions measured by NSE were described using concepts based on polymer theory. The contribution of residue-solvent friction was accounted for using the Zimm model including internal friction (ZIF). Disulfide bonds forming loops of amino acids of the peptide backbone have a major impact on internal dynamics that can be interpreted with a reduced set of Zimm modes.

  8. The trispectrum in the Effective Field Theory of Large Scale Structure

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

    Bertolini, Daniele; Schutz, Katelin; Solon, Mikhail P.

    2016-06-01

    We compute the connected four point correlation function (the trispectrum in Fourier space) of cosmological density perturbations at one-loop order in Standard Perturbation Theory (SPT) and the Effective Field Theory of Large Scale Structure (EFT of LSS). This paper is a companion to our earlier work on the non-Gaussian covariance of the matter power spectrum, which corresponds to a particular wavenumber configuration of the trispectrum. In the present calculation, we highlight and clarify some of the subtle aspects of the EFT framework that arise at third order in perturbation theory for general wavenumber configurations of the trispectrum. We consistently incorporatemore » vorticity and non-locality in time into the EFT counterterms and lay out a complete basis of building blocks for the stress tensor. We show predictions for the one-loop SPT trispectrum and the EFT contributions, focusing on configurations which have particular relevance for using LSS to constrain primordial non-Gaussianity.« less

  9. Ordering theories: Typologies and conceptual frameworks for sociotechnical change.

    PubMed

    Sovacool, Benjamin K; Hess, David J

    2017-10-01

    What theories or concepts are most useful at explaining socio technical change? How can - or cannot - these be integrated? To provide an answer, this study presents the results from 35 semi-structured research interviews with social science experts who also shared more than two hundred articles, reports and books on the topic of the acceptance, adoption, use, or diffusion of technology. This material led to the identification of 96 theories and conceptual approaches spanning 22 identified disciplines. The article begins by explaining its research terms and methods before honing in on a combination of fourteen theories deemed most relevant and useful by the material. These are: Sociotechnical Transitions, Social Practice Theory, Discourse Theory, Domestication Theory, Large Technical Systems, Social Construction of Technology, Sociotechnical Imaginaries, Actor-Network Theory, Social Justice Theory, Sociology of Expectations, Sustainable Development, Values Beliefs Norms Theory, Lifestyle Theory, and the Unified Theory of Acceptance and Use of Technology. It then positions these theories in terms of two distinct typologies. Theories can be placed into five general categories of being centered on agency, structure, meaning, relations or norms. They can also be classified based on their assumptions and goals rooted in functionalism, interpretivism, humanism or conflict. The article lays out tips for research methodology before concluding with insights about technology itself, analytical processes associated with technology, and the framing and communication of results. An interdisciplinary theoretical and conceptual inventory has much to offer students, analysts and scholars wanting to study technological change and society.

  10. Ordering theories: Typologies and conceptual frameworks for sociotechnical change

    PubMed Central

    Sovacool, Benjamin K; Hess, David J

    2017-01-01

    What theories or concepts are most useful at explaining socio technical change? How can – or cannot – these be integrated? To provide an answer, this study presents the results from 35 semi-structured research interviews with social science experts who also shared more than two hundred articles, reports and books on the topic of the acceptance, adoption, use, or diffusion of technology. This material led to the identification of 96 theories and conceptual approaches spanning 22 identified disciplines. The article begins by explaining its research terms and methods before honing in on a combination of fourteen theories deemed most relevant and useful by the material. These are: Sociotechnical Transitions, Social Practice Theory, Discourse Theory, Domestication Theory, Large Technical Systems, Social Construction of Technology, Sociotechnical Imaginaries, Actor-Network Theory, Social Justice Theory, Sociology of Expectations, Sustainable Development, Values Beliefs Norms Theory, Lifestyle Theory, and the Unified Theory of Acceptance and Use of Technology. It then positions these theories in terms of two distinct typologies. Theories can be placed into five general categories of being centered on agency, structure, meaning, relations or norms. They can also be classified based on their assumptions and goals rooted in functionalism, interpretivism, humanism or conflict. The article lays out tips for research methodology before concluding with insights about technology itself, analytical processes associated with technology, and the framing and communication of results. An interdisciplinary theoretical and conceptual inventory has much to offer students, analysts and scholars wanting to study technological change and society. PMID:28641502

  11. Theorising big IT programmes in healthcare: strong structuration theory meets actor-network theory.

    PubMed

    Greenhalgh, Trisha; Stones, Rob

    2010-05-01

    The UK National Health Service is grappling with various large and controversial IT programmes. We sought to develop a sharper theoretical perspective on the question "What happens - at macro-, meso- and micro-level - when government tries to modernise a health service with the help of big IT?" Using examples from data fragments at the micro-level of clinical work, we considered how structuration theory and actor-network theory (ANT) might be combined to inform empirical investigation. Giddens (1984) argued that social structures and human agency are recursively linked and co-evolve. ANT studies the relationships that link people and technologies in dynamic networks. It considers how discourses become inscribed in data structures and decision models of software, making certain network relations irreversible. Stones' (2005) strong structuration theory (SST) is a refinement of Giddens' work, systematically concerned with empirical research. It views human agents as linked in dynamic networks of position-practices. A quadripartite approcach considers [a] external social structures (conditions for action); [b] internal social structures (agents' capabilities and what they 'know' about the social world); [c] active agency and actions and [d] outcomes as they feed back on the position-practice network. In contrast to early structuration theory and ANT, SST insists on disciplined conceptual methodology and linking this with empirical evidence. In this paper, we adapt SST for the study of technology programmes, integrating elements from material interactionism and ANT. We argue, for example, that the position-practice network can be a socio-technical one in which technologies in conjunction with humans can be studied as 'actants'. Human agents, with their complex socio-cultural frames, are required to instantiate technology in social practices. Structurally relevant properties inscribed and embedded in technological artefacts constrain and enable human agency. The fortunes of healthcare IT programmes might be studied in terms of the interplay between these factors. Copyright 2010 Elsevier Ltd. All rights reserved.

  12. HOMOGENEOUS CLASSROOM GROUPING BASED ON CONCEPTUAL SYSTEMS THEORY IN AN EDUCATION ENRICHMENT PROJECT -- AN EXPLORATORY STUDY.

    ERIC Educational Resources Information Center

    HUNT, DAVID E.

    EDUCATIONAL ENVIRONMENTS, HIGHLY STRUCTURED OR UNSTRUCTURED, WERE DIFFERENTIALLY EFFECTIVE WITH STUDENTS OF VARYING PERSONALITIES. THE REPORT CONSIDERED THE UTILITY AND RELEVANCE OF THE CONCEPTUAL SYSTEMS MODEL BY DESCRIBING A SPECIFIC PROJECT IN WHICH THE MODEL SERVED AS THE BASIS FOR FORMING HOMOGENEOUS CLASSROOM GROUPS. THE PROJECT WAS…

  13. Collisional and dynamical processes in moon and planet formation

    NASA Technical Reports Server (NTRS)

    Chapman, C. R.; Davis, D. R.; Weidenschilling, S. J.; Hartmann, W. K.; Spaute, D.

    1987-01-01

    Research on a variety of dynamical processes relevant to the formation of planets, satellites and ring systems is discussed. The main focus is on studies of accretionary formation of early protoplanets using a numerical model, structures and evolution of ring systems and individual bodies within planetary rings, and theories of lunar origin.

  14. The Impact of Regional Higher Education Spaces on the Security of International Students

    ERIC Educational Resources Information Center

    Forbes-Mewett, Helen

    2016-01-01

    The security of international students in regional higher education spaces in Australia has been overlooked. Contingency theory provides the framework for this case study to explore the organisational structure and support services relevant to a regional higher education space and how this impacts the security of international students. In-depth…

  15. Education for the 70's and Beyond.

    ERIC Educational Resources Information Center

    Pittsburgh Univ., PA.

    The papers include: a history of education at Carnegie Institute, 1897-1976 (Julie Agar); forming the structure of a new society within the shell of the old, a study of three labor colleges and their contributions to the American labor movement (Richard J. Altenbaugh); reflections on the relevance of attribution theory to the educational process…

  16. Connecting Relational Theory and the Systems Theory Framework: Individuals and Their Systems

    ERIC Educational Resources Information Center

    Patton, Wendy

    2007-01-01

    The Systems Theory Framework (STF) facilitates the inclusion of relevant aspects of multiple existing theories within an integrated framework, wherein relevance and meaning is decided upon by each individual. Patton and McMahon emphasise that the application of the Systems Theory Framework in integrating theory and practice is located within the…

  17. The Father Friendly Initiative within Families: Using a logic model to develop program theory for a father support program.

    PubMed

    Gervais, Christine; de Montigny, Francine; Lacharité, Carl; Dubeau, Diane

    2015-10-01

    The transition to fatherhood, with its numerous challenges, has been well documented. Likewise, fathers' relationships with health and social services have also begun to be explored. Yet despite the problems fathers experience in interactions with healthcare services, few programs have been developed for them. To explain this, some authors point to the difficulty practitioners encounter in developing and structuring the theory of programs they are trying to create to promote and support father involvement (Savaya, R., & Waysman, M. (2005). Administration in Social Work, 29(2), 85), even when such theory is key to a program's effectiveness (Chen, H.-T. (2005). Practical program evaluation. Thousand Oaks, CA: Sage Publications). The objective of the present paper is to present a tool, the logic model, to bridge this gap and to equip practitioners for structuring program theory. This paper addresses two questions: (1) What would be a useful instrument for structuring the development of program theory in interventions for fathers? (2) How would the concepts of a father involvement program best be organized? The case of the Father Friendly Initiative within Families (FFIF) program is used to present and illustrate six simple steps for developing a logic model that are based on program theory and demonstrate its relevance. Crown Copyright © 2015. Published by Elsevier Ltd. All rights reserved.

  18. Time-sliced perturbation theory for large scale structure I: general formalism

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

    Blas, Diego; Garny, Mathias; Sibiryakov, Sergey

    2016-07-01

    We present a new analytic approach to describe large scale structure formation in the mildly non-linear regime. The central object of the method is the time-dependent probability distribution function generating correlators of the cosmological observables at a given moment of time. Expanding the distribution function around the Gaussian weight we formulate a perturbative technique to calculate non-linear corrections to cosmological correlators, similar to the diagrammatic expansion in a three-dimensional Euclidean quantum field theory, with time playing the role of an external parameter. For the physically relevant case of cold dark matter in an Einstein-de Sitter universe, the time evolution ofmore » the distribution function can be found exactly and is encapsulated by a time-dependent coupling constant controlling the perturbative expansion. We show that all building blocks of the expansion are free from spurious infrared enhanced contributions that plague the standard cosmological perturbation theory. This paves the way towards the systematic resummation of infrared effects in large scale structure formation. We also argue that the approach proposed here provides a natural framework to account for the influence of short-scale dynamics on larger scales along the lines of effective field theory.« less

  19. Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

    NASA Astrophysics Data System (ADS)

    Dahms, Rainer N.

    2016-04-01

    A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized which determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. The significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.

  20. DIS off glueballs from string theory: the role of the chiral anomaly and the Chern-Simons term

    NASA Astrophysics Data System (ADS)

    Kovensky, Nicolas; Michalski, Gustavo; Schvellinger, Martin

    2018-04-01

    We calculate the structure function F 3( x, q 2) of the hadronic tensor of deep inelastic scattering (DIS) of charged leptons from glueballs of N=4 SYM theory at strong coupling and at small values of the Bjorken parameter in the gauge/string theory duality framework. This is done in terms of type IIB superstring theory scattering amplitudes. From the AdS5 perspective, the relevant part of the scattering amplitude comes from the five-dimensional non-Abelian Chern-Simons terms in the SU(4) gauged supergravity obtained from dimensional reduction on S 5. From type IIB superstring theory we derive an effective Lagrangian describing the four-point interaction in the local approximation. The exponentially small regime of the Bjorken parameter is investigated using Pomeron techniques.

  1. [The theory of multiple intelligences: a suitable neurocognitive context for the neuropsychological hypotheses on the factors and mechanisms of superiority].

    PubMed

    Sierra-Fitzgerald, O; Quevedo-Caicedo, J

    The aim of this article is to relate two theories regarding the structure of the human mind. We suggest that the theory of multiple intelligences, a neurocognitive theory of the psychologist Howard Garnerd provides a suitable context for theoretical understanding and validation of the hypothesis of the pathology of superiority, a neuropsychological hypothesis formulated by the neuropsychologists Norman Geschwind and Albert Galaburda. Similarly, we show that, apart from being a context, the first theory enriches the second. We review the essential elements of both theories together with the arguments for them so that the reader may judge for himself. Similarly we review the factors determining intelligence; the association between neuropathology and intellectual dysfunction, general and specific, and the new directions in the understanding of human cognition. We propose to consider the first theory as a fertile ambit and broad methodological framework for investigation in neuropsychology. This simultaneously shows the relevance of including neuropsychological investigation in broader cognitive and neuropsychological theories and models.

  2. Investigation on law and economics of listed companies’ financing preference based on complex network theory

    PubMed Central

    Yang, Jian; Bai, Shuying; Qu, Zhao; Chang, Hui

    2017-01-01

    In this paper, complex network theory is used to make time-series analysis of key indicators of governance structure and financing data. We analyze scientific listed companies’ governance data from 2010 to 2014 and divide them into groups in accordance with the similarity they share. Then we select sample companies to analyze their financing data and explore the influence of governance structure on financing decision and the financing preference they display. This paper reviews relevant laws and regulations of financing from the perspective of law and economics, then proposes reasonable suggestions to consummate the law for the purpose of regulating listed companies’ financing. The research provides a reference for making qualitative analysis on companies’ financing. PMID:28301510

  3. Investigation on law and economics of listed companies' financing preference based on complex network theory.

    PubMed

    Yang, Jian; Bai, Shuying; Qu, Zhao; Chang, Hui

    2017-01-01

    In this paper, complex network theory is used to make time-series analysis of key indicators of governance structure and financing data. We analyze scientific listed companies' governance data from 2010 to 2014 and divide them into groups in accordance with the similarity they share. Then we select sample companies to analyze their financing data and explore the influence of governance structure on financing decision and the financing preference they display. This paper reviews relevant laws and regulations of financing from the perspective of law and economics, then proposes reasonable suggestions to consummate the law for the purpose of regulating listed companies' financing. The research provides a reference for making qualitative analysis on companies' financing.

  4. The Structural and Conceptual Model of Development of Leadership in Junior School Children

    ERIC Educational Resources Information Center

    Turgunbaeva, Botagul A.; Aspanova, Gulmira R.; Gelisli, Yucel

    2016-01-01

    This study addresses a problem that is currently relevant for the modern society--the development of leadership. It attempts to analyze theoretically the literary sources that cover the development of leadership. The authors give their opinion on the general leadership theory, which regards leadership as a two-subject phenomenon, give their…

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

    Sharma, Arvind, E-mail: arvindsharma230771@gmail.com; Nagar, A. K., E-mail: ajaya.nagar@gmail.com

    We investigate the interaction of optical vector soliton with a symmetric thin-film gallium-silica waveguide structure using the equivalent particle theory. The relevant nonlinear Schrodinger equation has been solved by the method of phase plane analysis. The analysis shows beam break up into transmitted, reflected and nonlinear surface waves at the interface. The stability properties of the solitons so formed have been discussed.

  6. Syntactic Functions in Functional Discourse Grammar and Role and Reference Grammar: An Evaluative Comparison

    ERIC Educational Resources Information Center

    Butler, Christopher S.

    2012-01-01

    The aim of this paper is to compare the treatment of syntactic functions, and more particularly those traditionally labelled as Subject and Object, in Functional Discourse Grammar and Role and Reference Grammar. Relevant aspects of the overall structure of the two theories are briefly described. The concept of alignment between levels of the…

  7. On Superstability of Semigroups

    NASA Technical Reports Server (NTRS)

    Balakrishnan. A. V.

    1997-01-01

    This paper presents a brief report on superstable semigroups - abstract theory and some applications thereof. The notion of super stability is a strengthening of exponential stability and occurs in Timoshenko models of structures with self-straining material using pure (idealized) rate feed- back. It is also relevant to the problem of Riesz bases of eigenfunctions of infinitesimal generators under perturbation.

  8. The Cross-National Relevance of U.S. Formulated Theories of College Student Departure

    ERIC Educational Resources Information Center

    Braxton, John M.

    2013-01-01

    This article focuses on the cross-national relevance of theories of college student departure formulated by U.S. scholars. Some aspects of U.S. developed theories of college student departure hold some semblance of cross-national relevance. Economic and sociological perspectives provide such aspects. The weighing of costs and benefits inherent in…

  9. Hispanic Culture and Relational Cultural Theory

    ERIC Educational Resources Information Center

    Ruiz, Elizabeth

    2005-01-01

    Traditional personality theories do not consider the impact of culture on personality development. Yet, to provide culturally relevant services to the increasing Hispanic population in the U.S., more culturally relevant theories must be identified. This paper presents Relational Cultural Theory (RCT) as an alternative model to understanding…

  10. On the Theory and Numerical Simulation of Cohesive Crack Propagation with Application to Fiber-Reinforced Composites

    NASA Technical Reports Server (NTRS)

    Rudraraju, Siva Shankar; Garikipati, Krishna; Waas, Anthony M.; Bednarcyk, Brett A.

    2013-01-01

    The phenomenon of crack propagation is among the predominant modes of failure in many natural and engineering structures, often leading to severe loss of structural integrity and catastrophic failure. Thus, the ability to understand and a priori simulate the evolution of this failure mode has been one of the cornerstones of applied mechanics and structural engineering and is broadly referred to as "fracture mechanics." The work reported herein focuses on extending this understanding, in the context of through-thickness crack propagation in cohesive materials, through the development of a continuum-level multiscale numerical framework, which represents cracks as displacement discontinuities across a surface of zero measure. This report presents the relevant theory, mathematical framework, numerical modeling, and experimental investigations of through-thickness crack propagation in fiber-reinforced composites using the Variational Multiscale Cohesive Method (VMCM) developed by the authors.

  11. Artificial grammar learning meets formal language theory: an overview

    PubMed Central

    Fitch, W. Tecumseh; Friederici, Angela D.

    2012-01-01

    Formal language theory (FLT), part of the broader mathematical theory of computation, provides a systematic terminology and set of conventions for describing rules and the structures they generate, along with a rich body of discoveries and theorems concerning generative rule systems. Despite its name, FLT is not limited to human language, but is equally applicable to computer programs, music, visual patterns, animal vocalizations, RNA structure and even dance. In the last decade, this theory has been profitably used to frame hypotheses and to design brain imaging and animal-learning experiments, mostly using the ‘artificial grammar-learning’ paradigm. We offer a brief, non-technical introduction to FLT and then a more detailed analysis of empirical research based on this theory. We suggest that progress has been hampered by a pervasive conflation of distinct issues, including hierarchy, dependency, complexity and recursion. We offer clarifications of several relevant hypotheses and the experimental designs necessary to test them. We finally review the recent brain imaging literature, using formal languages, identifying areas of convergence and outstanding debates. We conclude that FLT has much to offer scientists who are interested in rigorous empirical investigations of human cognition from a neuroscientific and comparative perspective. PMID:22688631

  12. Relevance Theory, Action Theory and Second Language Communication Strategies

    ERIC Educational Resources Information Center

    Foster-Cohen, Susan H.

    2004-01-01

    The discussion in this article offers a comparison between Relevance Theory as an account of human communication and Herbert Clark's (1996) sociocognitive Action Theory approach. It is argued that the differences are fundamental and impact analysis of all kinds of naturally occurring communicative data, including that produced by non-native…

  13. A cognitive perspective on medical expertise: theory and implication.

    PubMed

    Schmidt, H G; Norman, G R; Boshuizen, H P

    1990-10-01

    A new theory of the development of expertise in medicine is outlined. Contrary to existing views, this theory assumes that expertise is not so much a matter of superior reasoning skills or in-depth knowledge of pathophysiological states as it is based on cognitive structures that describe the features of prototypical or even actual patients. These cognitive structures, referred to as "illness scripts," contain relatively little knowledge about pathophysiological causes of symptoms and complaints but a wealth of clinically relevant information about disease, its consequences, and the context under which illness develops. By contrast, intermediate-level students without clinical experience typically use pathophysiological, causal models of disease when solving problems. The authors review evidence supporting the theory and discuss its implications for the understanding of five phenomena extensively documented in the clinical-reasoning literature: (1) content specificity in diagnostic performance; (2) typical differences in data-gathering techniques between medical students and physicians; (3) difficulties involved in setting standards; (4) a decline in performance on certain measures of clinical reasoning with increasing expertise; and (5) a paradoxical association between errors and longer response times in visual diagnosis.

  14. The Chomsky—Place correspondence 1993–1994

    PubMed Central

    Chomsky, Noam; Place, Ullin T.

    2000-01-01

    Edited correspondence between Ullin T. Place and Noam Chomsky, which occurred in 1993–1994, is presented. The principal topics are (a) deep versus surface structure; (b) computer modeling of the brain; (c) the evolutionary origins of language; (d) behaviorism; and (e) a dispositional account of language. This correspondence includes Chomsky's denial that he ever characterized deep structure as innate; Chomsky's critique of computer modeling (both traditional and connectionist) of the brain; Place's critique of Chomsky's alleged failure to provide an adequate account of the evolutionary origins of language, and Chomsky's response that such accounts are “pop-Darwinian fairy tales”; and Place's arguments for, and Chomsky's against, the relevance of behaviorism to linguistic theory, especially the relevance of a behavioral approach to language that is buttressed by a dispositional account of sentence construction. PMID:22477211

  15. The Chomsky-Place correspondence 1993-1994.

    PubMed

    Chomsky, N; Place, U T

    2000-01-01

    Edited correspondence between Ullin T. Place and Noam Chomsky, which occurred in 1993-1994, is presented. The principal topics are (a) deep versus surface structure; (b) computer modeling of the brain; (c) the evolutionary origins of language; (d) behaviorism; and (e) a dispositional account of language. This correspondence includes Chomsky's denial that he ever characterized deep structure as innate; Chomsky's critique of computer modeling (both traditional and connectionist) of the brain; Place's critique of Chomsky's alleged failure to provide an adequate account of the evolutionary origins of language, and Chomsky's response that such accounts are "pop-Darwinian fairy tales"; and Place's arguments for, and Chomsky's against, the relevance of behaviorism to linguistic theory, especially the relevance of a behavioral approach to language that is buttressed by a dispositional account of sentence construction.

  16. Development of guidelines for the definition of the relavant information content in data classes

    NASA Technical Reports Server (NTRS)

    Schmitt, E.

    1973-01-01

    The problem of experiment design is defined as an information system consisting of information source, measurement unit, environmental disturbances, data handling and storage, and the mathematical analysis and usage of data. Based on today's concept of effective computability, general guidelines for the definition of the relevant information content in data classes are derived. The lack of a universally applicable information theory and corresponding mathematical or system structure is restricting the solvable problem classes to a small set. It is expected that a new relativity theory of information, generally described by a universal algebra of relations will lead to new mathematical models and system structures capable of modeling any well defined practical problem isomorphic to an equivalence relation at any corresponding level of abstractness.

  17. From the crust to the core of neutron stars on a microscopic basis

    NASA Astrophysics Data System (ADS)

    Baldo, M.; Burgio, G. F.; Centelles, M.; Sharma, B. K.; Viñas, X.

    2014-09-01

    Within a microscopic approach the structure of Neutron Stars is usually studied by modelling the homogeneous nuclear matter of the core by a suitable Equation of State, based on a many-body theory, and the crust by a functional based on a more phenomenological approach. We present the first calculation of Neutron Star overall structure by adopting for the core an Equation of State derived from the Brueckner-Hartree-Fock theory and for the crust, including the pasta phase, an Energy Density Functional based on the same Equation of State, and which is able to describe accurately the binding energy of nuclei throughout the mass table. Comparison with other approaches is discussed. The relevance of the crust Equation of State for the Neutron Star radius is particularly emphasised.

  18. The Exploration of Hot Nuclear Matter

    NASA Astrophysics Data System (ADS)

    Jacak, Barbara V.; Müller, Berndt

    2012-07-01

    When nuclear matter is heated beyond 2 trillion degrees, it becomes a strongly coupled plasma of quarks and gluons. Experiments using highly energetic collisions between heavy nuclei have revealed that this new state of matter is a nearly ideal, highly opaque liquid. A description based on string theory and black holes in five dimensions has made the quark-gluon plasma an archetypical strongly coupled quantum system. Open questions about the structure and theory of the quark-gluon plasma are under active investigation. Many of the insights are also relevant to ultracold fermionic atoms and strongly correlated condensed matter.

  19. Structure and Abundance of Nitrous Oxide Complexes in Earth's Atmosphere.

    PubMed

    Salmon, Steven R; de Lange, Katrina M; Lane, Joseph R

    2016-04-07

    We have investigated the lowest energy structures and binding energies of a series of atmospherically relevant nitrous oxide (N2O) complexes using explicitly correlated coupled cluster theory. Specifically, we have considered complexes with nitrogen (N2-N2O), oxygen (O2-N2O), argon (Ar-N2O), and water (H2O-N2O). We have calculated rotational constants and harmonic vibrational frequencies for the complexes and the constituent monomers. Statistical mechanics was used to determine the thermodynamic parameters for complex formation as a function of temperature and pressure. These results, in combination with relevant atmospheric data, were used to estimate the abundance of N2O complexes in Earth's atmosphere as a function of altitude. We find that the abundance of N2O complexes in Earth's atmosphere is small but non-negligible, and we suggest that N2O complexes may contribute to absorption of terrestrial radiation and be relevant for understanding the atmospheric fate of N2O.

  20. Critiquing Child-Centred Pedagogy to Bring Children and Early Childhood Educators into the Centre of a Democratic Pedagogy

    ERIC Educational Resources Information Center

    Langford, Rachel

    2010-01-01

    Child-centred pedagogy is both an enduring approach and a revered concept in Western-based teacher preparation. This article weaves together major critiques of child-centred pedagogy that draw on critical feminist, postmodernist and post-structural theories. These critiques have particular relevance for conceptualizing what it can mean to be, and…

  1. Structure, Content, and Process in Teacher Training: The Relevance of Copernicus, Gardner, and Dewey.

    ERIC Educational Resources Information Center

    Soares, Louise M.

    1998-01-01

    Argues that a unique combination of (1) the Copernican Plan for block scheduling; (2) the application of Howard Gardner's theory of multiple intelligences; and (3) John Dewey's basic ideas about process create a teacher training program in which mastery is an achievable goal. Describes each component and illustrates how each has worked in one…

  2. Active Black Holes: Relevant Plasma Structures, Regimes and Processes Involving All Phase Space*

    NASA Astrophysics Data System (ADS)

    Coppi, B.

    2010-11-01

    The presented theory is motivated by the growing body of experimental information on the characteristics, connected with relevant spectral, time and space resolutions, of the radiation emission from objects considered as rotating black holes. In the immediate surroundings of these objects three plasma regions [1] are identified: an innermost Buffer Region, an intermediate Three-regime Region and a Structured Peripheral Region. In the last region a Composite Disk Structure that is a sequence of plasma rings corresponding to closed magnetic surfaces is considered to be present and to allow intermittent accretion flows along the relevant separatrices. The non-linear ``Master Equation'' describing this structure is derived and solved in appropriate asymptotic limits. The rings structure, depending on microscopic plasma characteristics: i) can be excluded from forming in the intermediate region allowing the onset of a spiral structure with which High Frequency Quasi Periodic Oscillations are associated; ii) may be allowed to propagate to the outer edge of the Buffer Region where successive rings with opposite currents are ejected vertically (in opposite directions) and originate the observed jets; iii) is dissipated well before the Buffer Region. *Sponsored in part by the U.S. D.O.E. [1] B. Coppi, Plasmas in the Laboratory and in the Universe, Eds. G. Bertin et al. (Publ. American Institute of Physics, New York, 2010).

  3. An exact elliptic superpotential for N=1 ∗ deformations of finite N=2 gauge theories

    NASA Astrophysics Data System (ADS)

    Dorey, Nick; Hollowood, Timothy J.; Kumar, S. Prem

    2002-03-01

    We study relevant deformations of the N=2 superconformal theory on the world-volume of N D3-branes at an Ak-1 singularity. In particular, we determine the vacuum structure of the mass-deformed theory with N=1 supersymmetry and show how the different vacua are permuted by an extended duality symmetry. We then obtain exact, modular covariant formulae (for all k, N and arbitrary gauge couplings) for the holomorphic observables in the massive vacua in two different ways: by lifting to M-theory, and by compactification to three dimensions and subsequent use of mirror symmetry. In the latter case, we find an exact superpotential for the model which coincides with a certain combination of the quadratic Hamiltonians of the spin generalization of the elliptic Calogero-Moser integrable system.

  4. Models, theory structure and mechanisms in biochemistry: The case of allosterism.

    PubMed

    Alleva, Karina; Díez, José; Federico, Lucia

    2017-06-01

    From the perspective of the new mechanistic philosophy, it has been argued that explanatory causal mechanisms in some special sciences such as biochemistry and neurobiology cannot be captured by any useful notion of theory, or at least by any standard notion. The goal of this paper is to show that a model-theoretic notion of theory, and in particular the structuralist notion of a theory-net already applied to other unified explanatory theories, adequately suits the MWC allosteric mechanism explanatory set-up. We also argue, contra some mechanistic claims questioning the use of laws in biological explanations, that the theory reconstructed in this way essentially contains non-accidental regularities that qualify as laws, and that taking into account these lawful components, it is possible to explicate the unified character of the theory. Finally, we argue that, contrary to what some mechanists also claim, functional explanations that do not fully specify the mechanistic structure are not defective or incomplete in any relevant sense, and that functional components are perfectly explanatory. The conclusion is that, as some authors have emphasized in other fields (Walmsley 2008), particular elements of traditional approaches do not contradict but rather complement the new mechanist philosophy, and taken together they may offer a more complete understanding of special sciences and the variety of explanations they provide. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. No interpretation without representation: the role of domain-specific representations and inferences in the Wason selection task.

    PubMed

    Fiddick, L; Cosmides, L; Tooby, J

    2000-10-16

    The Wason selection task is a tool used to study reasoning about conditional rules. Performance on this task changes systematically when one varies its content, and these content effects have been used to argue that the human cognitive architecture contains a number of domain-specific representation and inference systems, such as social contract algorithms and hazard management systems. Recently, however, Sperber, Cara & Girotto (Sperber, D., Cara, F., & Girotto, V. (1995). Relevance theory explains the selection task. Cognition, 57, 31-95) have proposed that relevance theory can explain performance on the selection task - including all content effects - without invoking inference systems that are content-specialized. Herein, we show that relevance theory alone cannot explain a variety of content effects - effects that were predicted in advance and are parsimoniously explained by theories that invoke domain-specific algorithms for representing and making inferences about (i) social contracts and (ii) reducing risk in hazardous situations. Moreover, although Sperber et al. (1995) were able to use relevance theory to produce some new content effects in other domains, they conducted no experiments involving social exchanges or precautions, and so were unable to determine which - content-specialized algorithms or relevance effects - dominate reasoning when the two conflict. When experiments, reported herein, are constructed so that the different theories predict divergent outcomes, the results support the predictions of social contract theory and hazard management theory, indicating that these inference systems override content-general relevance factors. The fact that social contract and hazard management algorithms provide better explanations for performance in their respective domains does not mean that the content-general logical procedures posited by relevance theory do not exist, or that relevance effects never occur. It does mean, however, that one needs a principled way of explaining which effects will dominate when a set of inputs activate more than one reasoning system. We propose the principle of pre-emptive specificity - that the human cognitive architecture should be designed so that more specialized inference systems pre-empt more general ones whenever the stimuli centrally fit the input conditions of the more specialized system. This principle follows from evolutionary and computational considerations that are common to both relevance theory and the ecological rationality approach.

  6. Electronic structure, dielectric response, and surface charge distribution of RGD (1FUV) peptide.

    PubMed

    Adhikari, Puja; Wen, Amy M; French, Roger H; Parsegian, V Adrian; Steinmetz, Nicole F; Podgornik, Rudolf; Ching, Wai-Yim

    2014-07-08

    Long and short range molecular interactions govern molecular recognition and self-assembly of biological macromolecules. Microscopic parameters in the theories of these molecular interactions are either phenomenological or need to be calculated within a microscopic theory. We report a unified methodology for the ab initio quantum mechanical (QM) calculation that yields all the microscopic parameters, namely the partial charges as well as the frequency-dependent dielectric response function, that can then be taken as input for macroscopic theories of electrostatic, polar, and van der Waals-London dispersion intermolecular forces. We apply this methodology to obtain the electronic structure of the cyclic tripeptide RGD-4C (1FUV). This ab initio unified methodology yields the relevant parameters entering the long range interactions of biological macromolecules, providing accurate data for the partial charge distribution and the frequency-dependent dielectric response function of this peptide. These microscopic parameters determine the range and strength of the intricate intermolecular interactions between potential docking sites of the RGD-4C ligand and its integrin receptor.

  7. Structure and dynamics of human communication at the beginning of life.

    PubMed

    Papousek, H; Papousek, M

    1986-01-01

    Although the beginning of postpartum social integration and communication has been long viewed as relevant to psychiatric theories, early parent-infant communication has become a matter of scientific investigation only recently. The present survey explains the significance of an approach based upon the general systems theory and explores to what extent the early parent-infant interaction can function as a didactic system to support the development of thought and speech. Evidence of this function has been found in those forms of parental behavior that escape the parent's conscious awareness and control, as exemplified in the vocal communication with presyllabic infants. Parents unknowingly adjust the structure and dynamics of speech to the constraints of infant capacities, detach prosodic musicality from lexical structure, and use it in particularly expressive forms for the delivery of the first prototypical messages. In this and other similar ways, parents offer an abundance of learning situations in which infants can try out various integrative operations. A biological rather than cultural provenience of the support of communicative development indicates a potential relevance for the interpretation of speech evolution. In addition to qualities of the vocal tract and to complex symbolic capacities in humans, the early intuitive support of communicative development and its playful character are suggested as species-specific determinants of speech evolution. Implications for clinical research are suggested.

  8. The cultural production of health inequalities: a cross-sectional, multilevel examination of 52 countries.

    PubMed

    Mansyur, Carol Leler; Amick, Benjamin C; Harrist, Ronald B; Franzini, Luisa; Roberts, Robert E

    2009-01-01

    In a 2001 report, the U.S. National Institutes of Health called for more integration of the social sciences into health-related research, including research guided by theories and methods that take social and cultural systems into consideration. Based on a theoretical framework that integrates Hofstede's cultural dimensions with sociological theory, the authors used multilevel modeling to explore the association of culture with structural inequality and health disparities. Their results support the idea that cultural dimensions and social structure, along with economic development, may account for much of the cross-national variation in the distribution of health inequalities. Sensitivity tests also suggest that an interaction between culture and social structure may confound the relationship between income inequality and health. It is necessary to identify important cultural and social structural characteristics before we can achieve an understanding of the complex, dynamic systems that affect health, and develop culturally sensitive interventions and policies. This study takes a step toward identifying some of the relevant cultural and structural influences. More research is needed to explore the pathways leading from the sociocultural environment to health inequalities.

  9. Affective Disruption from Social Rhythm and Behavioral Approach System (BAS) Sensitivities: A Test of the Integration of the Social Zeitgeber and BAS Theories of Bipolar Disorder.

    PubMed

    Boland, Elaine M; Stange, Jonathan P; Labelle, Denise R; Shapero, Benjamin G; Weiss, Rachel B; Abramson, Lyn Y; Alloy, Lauren B

    2016-05-01

    The Behavioral Approach System (BAS)/Reward Hypersensitivity Theory and the Social Zeitgeber Theory are two biopsychosocial theories of bipolar spectrum disorders (BSD) that may work together to explain affective dysregulation. The present study examined whether BAS sensitivity is associated with affective symptoms via a) increased social rhythm disruption in response to BAS-relevant life events, or b) greater exposure to BAS events leading to social rhythm disruption and subsequent symptoms. Results indicated that high BAS individuals were more likely to experience social rhythm disruption following BAS-relevant events. Social rhythm disruption mediated the association between BAS-relevant events and symptoms (hypothesis a). High BAS individuals experienced significantly more BAS-relevant events, which predicted greater social rhythm disruption, which predicted greater levels of affective symptoms (hypothesis b). Individuals at risk for BSD may be sensitive to BAS-relevant stimuli, experience more BAS-relevant events, and experience affective dysregulation due to the interplay of the BAS and circadian rhythms.

  10. Active black holes: Relevant plasma structures, regimes and processes involving all phase space

    NASA Astrophysics Data System (ADS)

    Coppi, Bruno

    2011-03-01

    The presented theory is motivated by the growing body of experimental information on the characteristics, connected with relevant spectral, time, and space resolutions, of the radiation emission from objects considered as rotating black holes. In the immediate surroundings of these objects, three plasma regions are identified: an innermost Buffer Region, an intermediate Three-regime Region, and a Structured Peripheral Region. In the last region, a Composite Disk Structure made of a sequence of plasma rings corresponding to the formation of closed magnetic surfaces is considered to be present and to allow intermittent accretion flows along the relevant separatrices. The nonlinear ``Master Equation'' describing composite disk structures is derived and solved in appropriate asymptotic limits. A ring configuration, depending on the state of the plasma at the microscopic level: (i) can be excluded from forming given the strongly nonthermal nature of the electron distribution (in momentum space) within the Three-regime Region allowing the onset of a spiral structure; the observed High Frequency Quasi Periodic Oscillations are associated with these tridimensional structures; (ii) may be allowed to propagate to the outer edge of the Buffer Region where successive rings carrying currents in opposite directions are ejected vertically (in opposite directions) and originate the observed jets; or (iii) penetrates in the Three-regime Region and is dissipated before reaching the outer edge of the Buffer Region. The absence of a coherent composite disk structure guiding accretion in the presence of a significant magnetic field background is suggested to characterize quiescent black holes.

  11. The mixing length parameter alpha. [in stellar structure calculations

    NASA Technical Reports Server (NTRS)

    Canuto, V. M.

    1990-01-01

    The standard mixing length theory, MLT, treats turbulent eddies as if they were isotropic, while the largest eddies that carry most of the flux are highly anisotropic. Recently, an anisotropic MLT was constructed, and the relevant equations derived. It is shown that these new equations can actually be cast in a form that is formally identical to that of the standard isotropic MLT, provided the mixing length parameter, derived from stellar structure calculations, is interpreted as an intermediate, auxiliary function alpha(x), where x, the degree of anisotropy is given as a function of the thermodynamic variables of the problem. The relation between alpha(x) and the physically relevant alpha(l = Hp) is also given. Once the value alpha is deduced, it is found to be a function of the local thermodynamic quantities, as expected.

  12. Exploring the Theory-Practice Gap in Initial Teacher Education: Moving beyond Questions of Relevance to Issues of Power and Authority

    ERIC Educational Resources Information Center

    McGarr, Oliver; O'Grady, Emmanuel; Guilfoyle, Liam

    2017-01-01

    The "theory-practice divide" in teacher education can be viewed not simply as an acceptance of a body of knowledge but instead an acceptance of the teacher educator's authority to determine what is relevant educational theory. This research aimed to explore student teachers' views of "educational theory" and how it was…

  13. Deliberate practice theory: perceived relevance, effort, and inherent enjoyment of music practice: study II.

    PubMed

    Hyllegard, Randy; Bories, Tamara L

    2009-10-01

    This study, based on the theory of deliberate practice, examined the practice relevance, effort, and inherent enjoyment aspects of the theory. 25 college undergraduates practiced playing a melody on an electronic keyboard for three 20-min. practice sessions. Following each session, the perceived relevance of the practice for improving performance of the melody, the effort needed to learn the melody, and the inherent enjoyment of the practice were each rated on 10-point scales. Findings were consistent with theory and similar to previous studies also involving music practice and other tasks.

  14. Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

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

    Dahms, Rainer N.

    A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. As a result, the significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

  15. Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

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

    Dahms, Rainer N., E-mail: Rndahms@sandia.gov

    A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. The significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

  16. Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

    DOE PAGES

    Dahms, Rainer N.

    2016-04-26

    A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. As a result, the significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

  17. Cross-cultural relevance of the Interpersonal Theory of suicide across Korean and U.S. undergraduate students.

    PubMed

    Suh, Sooyeon; Ebesutani, Chad K; Hagan, Christopher R; Rogers, Megan L; Hom, Melanie A; Ringer, Fallon B; Bernert, Rebecca A; Kim, Soohyun; Joiner, Thomas E

    2017-05-01

    This study investigated the cross-cultural relevance and validity of the Interpersonal Theory of Suicide (ITS) utilizing young adult samples from South Korea (n =554) and the United States (U.S.; n =390). To examine the ITS, all participants completed self-report questionnaires measuring Thwarted Belongingness, Perceived Burdensomeness, and Capability for Suicide. We examined whether each construct significantly predicted the severity of suicidal risk in both samples. We also determined whether the strength of the effects of Thwarted Belongingness and Perceived Burdensomeness on suicidal ideation differed between the two samples due to the greater degree of importance placed on interpersonal relationships in collectivistic cultures such as South Korea. Structural equation modeling was used to examine these hypotheses. Thwarted Belongingness, Perceived Burdensomeness, and Capability for Suicide significantly predicted elevated suicidal risk. However, there were no significant differences in the paths from Thwarted Belongingness or Perceived Burdensomeness to suicide risk between the South Korean and U.S. These findings support the cross-cultural relevance and applicability of the ITS, whereby Thwarted Belongingness and Perceived Burdensomeness serve as indicators of suicide risk in both Western (U.S.) and East Asian (Korean) samples. Copyright © 2017 Elsevier Ireland Ltd. All rights reserved.

  18. Deriving Laws from Ordering Relations

    NASA Technical Reports Server (NTRS)

    Knuth, Kevin H.

    2004-01-01

    The effect of Richard T. Cox's contribution to probability theory was to generalize Boolean implication among logical statements to degrees of implication, which are manipulated using rules derived from consistency with Boolean algebra. These rules are known as the sum rule, the product rule and Bayes Theorem, and the measure resulting from this generalization is probability. In this paper, I will describe how Cox s technique can be further generalized to include other algebras and hence other problems in science and mathematics. The result is a methodology that can be used to generalize an algebra to a calculus by relying on consistency with order theory to derive the laws of the calculus. My goals are to clear up the mysteries as to why the same basic structure found in probability theory appears in other contexts, to better understand the foundations of probability theory, and to extend these ideas to other areas by developing new mathematics and new physics. The relevance of this methodology will be demonstrated using examples from probability theory, number theory, geometry, information theory, and quantum mechanics.

  19. On Reading Comprehension Teaching for English Majors under Relevance Theory

    ERIC Educational Resources Information Center

    He, Ping

    2018-01-01

    Relevance Theory from the perspective of cognitive psychology argues that human communication is an ostensive-inferential process, and emphasizes the function of the optimal relevance for communication. In this sense, reading comprehension could be considered as a kind of communication in which the writer manifests his/her communication intention…

  20. Smoking cessation: an application of theory of planned behavior to understanding progress through stages of change.

    PubMed

    Bledsoe, Linda K

    2006-07-01

    The purpose of this research was to investigate variables relevant to smoking cessation early in the process of change through an application of the Theory of Planned Behavior [Ajzen, I. (1985). From intentions to actions: A theory of planned behavior. In J. Kuhl and J. Beckman (Eds). Action-control: From cognition to behavior (pp.11-39). Heidelberg: Springer.] to the temporal structure provided by the Transtheoretical Model. Study 1 was a preliminary elicitation study (n=68) conducted to ground the concepts used in the model testing in Study 2 [Ajzen, I., Fishbein, M. (1980). Understanding attitudes and predicting social behavior, Englewood Cliffs, NJ: Prentice-Hall.]. Study 2 tested the proposed model fit with data from a sample of 230 adult smokers. Structural equation modeling did not support the Theory of Planned Behavior as a model of motivation for progress through the stages of change and highlighted measurement issues with perceived behavioral control. A modified model using the Theory of Reasoned Action provided a good fit to the data, accounting for approximately 64% of the variance in intention to quit smoking and stage of change. This research addresses the need for a more complete theoretical rationale for progress through stages of change.

  1. Large scale structure constraints for a class of f(R) theories of gravity

    NASA Astrophysics Data System (ADS)

    Abebe, Amare; de la Cruz-Dombriz, Álvaro; Dunsby, Peter K. S.

    2013-08-01

    Over the past few years much attention has been given to the study of modified gravity theories in order to find a more natural explanation for the late time acceleration of the Universe. Nevertheless, a comparison of the matter power spectrum predictions made by these theories with available data has not yet been subjected to a detailed analysis. In the context of f(R) theories of gravity we study the predicted power spectra using both a dynamical systems approach for the background and solving for the matter perturbations without using the quasistatic approximation, comparing the theoretical results with several Sloan Digital Sky Survey data. The importance of studying the first order perturbed equations by assuming the correct background evolution and the relevance of the initial conditions are also stressed. We determine the statistical significance in relation to the observational data and demonstrate their conflict with existing observations.

  2. Liquid jet breakup regimes at supercritical pressures

    DOE PAGES

    Oefelein, Joseph C.; Dahms, Rainer Norbert Uwe

    2015-07-23

    Previously, a theory has been presented that explains how discrete vapor–liquid interfaces become diminished at certain high-pressure conditions in a manner that leads to well known qualitative trends observed from imaging in a variety of experiments. Rather than surface tension forces, transport processes can dominate over relevant ranges of conditions. In this paper, this framework is now generalized to treat a wide range of fuel-oxidizer combinations in a manner consistent with theories of capillary flows and extended corresponding states theory. Different flow conditions and species-specific molecular properties are shown to produce distinct variations of interfacial structures and local free molecularmore » paths. These variations are shown to occur over the operating ranges in a variety of propulsion and power systems. Despite these variations, the generalized analysis reveals that the envelope of flow conditions at which the transition from classical sprays to diffusion-dominated mixing occurs exhibits a characteristic shape for all liquid–gas combinations. As a result, for alkane-oxidizer mixtures, it explains that these conditions shift to higher pressure flow conditions with increasing carbon number and demonstrates that, instead of widely assumed classical spray atomization, diffusion-dominated mixing may occur under relevant high-pressure conditions in many modern devices.« less

  3. Job Search and Social Cognitive Theory: The Role of Career-Relevant Activities

    ERIC Educational Resources Information Center

    Zikic, Jelena; Saks, Alan M.

    2009-01-01

    Social cognitive theory was used to explain the relationships between career-relevant activities (environmental and self career exploration, career resources, and training), self-regulatory variables (job search self-efficacy and job search clarity), variables from the Theory of Planned Behavior (job search attitude, subjective norm, job search…

  4. 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.

  5. Higher-Order Hamiltonian Model for Unidirectional Water Waves

    NASA Astrophysics Data System (ADS)

    Bona, J. L.; Carvajal, X.; Panthee, M.; Scialom, M.

    2018-04-01

    Formally second-order correct, mathematical descriptions of long-crested water waves propagating mainly in one direction are derived. These equations are analogous to the first-order approximations of KdV- or BBM-type. The advantage of these more complex equations is that their solutions corresponding to physically relevant initial perturbations of the rest state may be accurate on a much longer timescale. The initial value problem for the class of equations that emerges from our derivation is then considered. A local well-posedness theory is straightforwardly established by a contraction mapping argument. A subclass of these equations possess a special Hamiltonian structure that implies the local theory can be continued indefinitely.

  6. Theory of spin-conserving excitation of the N-V(-) center in diamond.

    PubMed

    Gali, Adam; Janzén, Erik; Deák, Péter; Kresse, Georg; Kaxiras, Efthimios

    2009-10-30

    The negatively charged nitrogen-vacancy defect in diamond is an important atomic-scale structure that can be used as a qubit in quantum computing and as a marker in biomedical applications. Its usefulness relies on the ability to optically excite electrons between well-defined gap states, which requires a clear and detailed understanding of the relevant states and excitation processes. Here we show that by using hybrid density-functional-theory calculations in a large supercell we can reproduce the zero-phonon line and the Stokes and anti-Stokes shifts, yielding a complete picture of the spin-conserving excitation of this defect.

  7. Electronic structures of rutile (011)(2 × 1) surfaces: A many-body perturbation theory study.

    PubMed

    Liu, Guokui; Chen, Tingwei; Liu, Xiaobiao; Jin, Fan; Yuan, Shiling; Ma, Yuchen

    2017-03-28

    Using the GW method within many-body perturbation theory, we investigate the electronic properties of the rutile (011) surfaces with different reconstruction patterns. We find that keeping the Ti:O ratio on the reconstructedsurface to 1:2 enlarges the bandgap of the rutile (011) surface to ca. 4.0 eV. Increasing the content of O atoms in the surface can turn rutile into a semi-metal. For some surfaces, it is important to apply self-consistent GW calculation to get the correct charge distributions for the frontier orbitals, which are relevant to the photocatalytic behavior of TiO 2 .

  8. A theoretical study of the reaction of Ti+ with ethane

    NASA Astrophysics Data System (ADS)

    Moc, Jerzy; Fedorov, Dmitri G.; Gordon, Mark S.

    2000-06-01

    The doublet and quartet potential energy surfaces for the Ti++C2H6→TiC2H4++H2 and Ti++C2H6→TiCH2++CH4 reactions are studied using density functional theory (DFT) with the B3LYP functional and ab initio coupled cluster CCSD(T) methods with high quality basis sets. Structures have been optimized at the DFT level and the minima connected to each transition state (TS) by following the intrinsic reaction coordinate (IRC). Relative energies are calculated both at the DFT and coupled-cluster levels of theory. The relevant parts of the potential energy surface, especially key transition states, are also studied using multireference wave functions with the final energetics obtained with multireference second-order perturbation theory.

  9. Transition theory and its relevance to patients with chronic wounds.

    PubMed

    Neil, J A; Barrell, L M

    1998-01-01

    A wound, in the broadest sense, is a disruption of normal anatomic structure and function. Acute wounds progress through a timely and orderly sequence of repair that leads to the restoration of functional integrity. In chronic wounds, this timely and orderly sequence goes awry. As a result, people with chronic wounds often face not only physiological difficulties but emotional ones as well. The study of body image and its damage as a result of a chronic wound fits well with Selder's transition theory. This article describes interviews with seven patients with chronic wounds. The themes that emerged from those interviews were compared with Selder's theory to describe patients' experience with chronic wounds as a transition process that can be identified and better understood by healthcare providers.

  10. Autonomy Support, Need Satisfaction, and Motivation for Support Among Adults With Intellectual Disability: Testing a Self-Determination Theory Model.

    PubMed

    Frielink, Noud; Schuengel, Carlo; Embregts, Petri J C M

    2018-01-01

    The tenets of self-determination theory as applied to support were tested with structural equation modelling for 186 people with ID with a mild to borderline level of functioning. The results showed that (a) perceived autonomy support was positively associated with autonomous motivation and with satisfaction of need for autonomy, relatedness, and competence; (b) autonomous motivation and need satisfaction were associated with higher psychological well-being; (c) autonomous motivation and need satisfaction statistically mediated the association between autonomy support and well-being; and (d) satisfaction of need for autonomy and relatedness was negatively associated with controlled motivation, whereas satisfaction of need for relatedness was positively associated with autonomous motivation. The self-determination theory provides insights relevant for improving support for people with intellectual disability.

  11. Structure of the Stern layer in Phospholipid Systems

    NASA Astrophysics Data System (ADS)

    Vangaveti, Sweta; Travesset, Alex

    2011-03-01

    The structure of the Stern layer in Phospholipid Systems results from a subtle competition of salt concentration, ionic valence, specific ionic-phospolipid interactions and pH. It becomes very challenging to develop a rigorous theory that encompasses all these effects, yet its understanding is extremely relevant for both model and biological systems, as the structure of the Stern layer determines the interactions of phospholipids with proteins or electrostatic phase separation (rafts). In this talk we will present our theoretical model for the Stern Layer and discuss how all these effects are included. Particularly emphasis is made to Phosphoinositides and Phosphatidic acid. This work is supported by grant NSF DMR-0748475.

  12. Quasiparticle scattering in type-II Weyl semimetal MoTe2

    NASA Astrophysics Data System (ADS)

    Lin, Chun-Liang; Arafune, Ryuichi; Minamitani, Emi; Kawai, Maki; Takagi, Noriaki

    2018-03-01

    The electronic structure of type-II Weyl semimetal molybdenum ditelluride (MoTe2) is studied by using scanning tunneling microscopy and density functional theory calculations. Through measuring energy-dependent quasiparticle interference (QPI) patterns with a cryogenic scanning tunneling microscope, several characteristic features are found in the QPI patterns. Two of them arise from the Weyl semimetal nature; one is the topological Fermi arc surface state and the other can be assigned to be a Weyl point. The remaining structures are derived from the scatterings relevant to the bulk electronic states. The findings lead to further understanding of the topological electronic structure of type-II Weyl semimetal MoTe2.

  13. Quasiparticle scattering in type-II Weyl semimetal MoTe2.

    PubMed

    Lin, Chun-Liang; Arafune, Ryuichi; Minamitani, Emi; Kawai, Maki; Takagi, Noriaki

    2018-02-15

    The electronic structure of type-II Weyl semimetal molybdenum ditelluride (MoTe 2 ) is studied by using scanning tunneling microscopy and density functional theory calculations. Through measuring energy-dependent quasiparticle interference (QPI) patterns with a cryogenic scanning tunneling microscope, several characteristic features are found in the QPI patterns. Two of them arise from the Weyl semimetal nature; one is the topological Fermi arc surface state and the other can be assigned to be a Weyl point. The remaining structures are derived from the scatterings relevant to the bulk electronic states. The findings lead to further understanding of the topological electronic structure of type-II Weyl semimetal MoTe 2 .

  14. The new electromagnetic tetrads, infinite tetrad nesting and the non-trivial emergence of complex numbers in real theories of gravitation

    NASA Astrophysics Data System (ADS)

    Garat, Alcides

    How complex numbers get into play in a non-trivial way in real theories of gravitation is relevant since in a unified structure they should be able to relate in a natural way with quantum theories. For a long time this issue has been lingering on both relativistic formulations and quantum theories. We will analyze this fundamental subject under the light of new group isomorphism theorems linking local internal groups of transformations and local groups of spacetime transformations. The bridge between these two kinds of transformations is represented by new tetrads introduced previously. It is precisely through these local tetrad structures that we will provide a non-trivial answer to this old issue. These new tetrads have two fundamental building components, the skeletons and the gauge vectors. It is these constructive elements that provide the mathematical support that allows to prove group isomorphism theorems. In addition to this, we will prove a unique new property, the infinite tetrad nesting, alternating the nesting with non-Abelian tetrads in the construction of the tetrad gauge vectors. As an application we will demonstrate an alternative proof of a new group isomorphism theorem.

  15. Balance Theory Revisited: Relationship Issue Relevance Affects Imbalance-Induced Tension in Workplace Relationships.

    PubMed

    Reid, Chelsea A; Davis, Jody L; Pollack, Jeffrey M; Coughlan, Richard S

    2017-08-18

    The present work applies and extends balance theory by examining the role of relevance of issue to the relationship in balance theory processes within the context of workplace relationships. In Experiment 1, a sample of working adults (N = 81) reported greater job tension when self-supervisor dissimilarity involved a relationship-relevant (vs. non-relationship) ethical dilemma. In Experiment 2, a sample of working students (N = 185) who perceived greater self-supervisor dissimilarity about workplace (vs. family) ethics reported greater job tension, and in turn, less job satisfaction and organizational commitment. Perceiving dissimilarity with a work supervisor in attitudes about relationship-relevant issues may negatively affect outcomes at work. Importantly, these experiments demonstrated that not all dissimilarity is likely to yield negative outcomes; only relationship-relevant (vs. non-relevant) dissimilarity was a catalyst for imbalance-induced tension.

  16. Beyond heat baths II: framework for generalized thermodynamic resource theories

    NASA Astrophysics Data System (ADS)

    Yunger Halpern, Nicole

    2018-03-01

    Thermodynamics, which describes vast systems, has been reconciled with small scales, relevant to single-molecule experiments, in resource theories. Resource theories have been used to model exchanges of energy and information. Recently, particle exchanges were modeled; and an umbrella family of thermodynamic resource theories was proposed to model diverse baths, interactions, and free energies. This paper motivates and details the family’s structure and prospective applications. How to model electrochemical, gravitational, magnetic, and other thermodynamic systems is explained. Szilárd’s engine and Landauer’s Principle are generalized, as resourcefulness is shown to be convertible not only between information and gravitational energy, but also among diverse degrees of freedom. Extensive variables are associated with quantum operators that might fail to commute, introducing extra nonclassicality into thermodynamic resource theories. An early version of this paper partially motivated the later development of noncommutative thermalization. This generalization expands the theories’ potential for modeling realistic systems with which small-scale statistical mechanics might be tested experimentally.

  17. Paving the road to war with group membership, appraisal antecedents, and anger.

    PubMed

    Cheung-Blunden, Violet; Blunden, Bill

    2008-01-01

    This study uses appraisal theory, functionalist approach to emotions, and recent theory on group emotions as a basic framework to model the genesis of supporting military action. During the year after the events of 9/11, 588 college students participated in a series of four studies that assessed religious affiliation, appraisal antecedents, anger response to viewing photographs of the 9/11 attack, and support for military action. Structural equation modeling demonstrated that the relation between support for the war and attitudes toward terrorism and relevance could be explained adequately by a model in which anger mediated the effects of attitudes and relevance on support. Attitudes toward terrorism were further identified as mediators that could explain the group effect by Christians. The result was not only generalizable across the conflict in Afghanistan and Iraq, but also in terms of how consent for war manifests itself--outright calls for bloodshed versus more subtle, politically loaded, posturing (e.g. entreaties to "support our troops"). Copyright 2008 Wiley-Liss, Inc.

  18. Structural equation modeling and natural systems

    USGS Publications Warehouse

    Grace, James B.

    2006-01-01

    This book, first published in 2006, presents an introduction to the methodology of structural equation modeling, illustrates its use, and goes on to argue that it has revolutionary implications for the study of natural systems. A major theme of this book is that we have, up to this point, attempted to study systems primarily using methods (such as the univariate model) that were designed only for considering individual processes. Understanding systems requires the capacity to examine simultaneous influences and responses. Structural equation modeling (SEM) has such capabilities. It also possesses many other traits that add strength to its utility as a means of making scientific progress. In light of the capabilities of SEM, it can be argued that much of ecological theory is currently locked in an immature state that impairs its relevance. It is further argued that the principles of SEM are capable of leading to the development and evaluation of multivariate theories of the sort vitally needed for the conservation of natural systems.

  19. The design of patient decision support interventions: addressing the theory-practice gap.

    PubMed

    Elwyn, Glyn; Stiel, Mareike; Durand, Marie-Anne; Boivin, Jacky

    2011-08-01

    Although an increasing number of decision support interventions for patients (including decision aids) are produced, few make explicit use of theory. We argue the importance of using theory to guide design. The aim of this work was to address this theory-practice gap and to examine how a range of selected decision-making theories could inform the design and evaluation of decision support interventions. We reviewed the decision-making literature and selected relevant theories. We assessed their key principles, theoretical pathways and predictions in order to determine how they could inform the design of two core components of decision support interventions, namely, information and deliberation components and to specify theory-based outcome measures. Eight theories were selected: (1) the expected utility theory; (2) the conflict model of decision making; (3) prospect theory; (4) fuzzy-trace theory; (5) the differentiation and consolidation theory; (6) the ecological rationality theory; (7) the rational-emotional model of decision avoidance; and finally, (8) the Attend, React, Explain, Adapt model of affective forecasting. Some theories have strong relevance to the information design (e.g. prospect theory); some are more relevant to deliberation processes (conflict theory, differentiation theory and ecological validity). None of the theories in isolation was sufficient to inform the design of all the necessary components of decision support interventions. It was also clear that most work in theory-building has focused on explaining or describing how humans think rather than on how tools could be designed to help humans make good decisions. It is not surprising therefore that a large theory-practice gap exists as we consider decision support for patients. There was no relevant theory that integrated all the necessary contributions to the task of making good decisions in collaborative interactions. Initiatives such as the International Patient Decision Aids Standards Collaboration influence standards for the design of decision support interventions. However, this analysis points to the need to undertake more work in providing theoretical foundations for these interventions. © 2010 Blackwell Publishing Ltd.

  20. Affective Disruption from Social Rhythm and Behavioral Approach System (BAS) Sensitivities: A Test of the Integration of the Social Zeitgeber and BAS Theories of Bipolar Disorder

    PubMed Central

    Boland, Elaine M.; Stange, Jonathan P.; Labelle, Denise R.; Shapero, Benjamin G.; Weiss, Rachel B.; Abramson, Lyn Y.; Alloy, Lauren B.

    2015-01-01

    The Behavioral Approach System (BAS)/Reward Hypersensitivity Theory and the Social Zeitgeber Theory are two biopsychosocial theories of bipolar spectrum disorders (BSD) that may work together to explain affective dysregulation. The present study examined whether BAS sensitivity is associated with affective symptoms via a) increased social rhythm disruption in response to BAS-relevant life events, or b) greater exposure to BAS events leading to social rhythm disruption and subsequent symptoms. Results indicated that high BAS individuals were more likely to experience social rhythm disruption following BAS-relevant events. Social rhythm disruption mediated the association between BAS-relevant events and symptoms (hypothesis a). High BAS individuals experienced significantly more BAS-relevant events, which predicted greater social rhythm disruption, which predicted greater levels of affective symptoms (hypothesis b). Individuals at risk for BSD may be sensitive to BAS-relevant stimuli, experience more BAS-relevant events, and experience affective dysregulation due to the interplay of the BAS and circadian rhythms. PMID:27429864

  1. High-Performance First-Principles Molecular Dynamics for Predictive Theory and Modeling

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

    Gygi, Francois; Galli, Giulia; Schwegler, Eric

    This project focused on developing high-performance software tools for First-Principles Molecular Dynamics (FPMD) simulations, and applying them in investigations of materials relevant to energy conversion processes. FPMD is an atomistic simulation method that combines a quantum-mechanical description of electronic structure with the statistical description provided by molecular dynamics (MD) simulations. This reliance on fundamental principles allows FPMD simulations to provide a consistent description of structural, dynamical and electronic properties of a material. This is particularly useful in systems for which reliable empirical models are lacking. FPMD simulations are increasingly used as a predictive tool for applications such as batteries, solarmore » energy conversion, light-emitting devices, electro-chemical energy conversion devices and other materials. During the course of the project, several new features were developed and added to the open-source Qbox FPMD code. The code was further optimized for scalable operation of large-scale, Leadership-Class DOE computers. When combined with Many-Body Perturbation Theory (MBPT) calculations, this infrastructure was used to investigate structural and electronic properties of liquid water, ice, aqueous solutions, nanoparticles and solid-liquid interfaces. Computing both ionic trajectories and electronic structure in a consistent manner enabled the simulation of several spectroscopic properties, such as Raman spectra, infrared spectra, and sum-frequency generation spectra. The accuracy of the approximations used allowed for direct comparisons of results with experimental data such as optical spectra, X-ray and neutron diffraction spectra. The software infrastructure developed in this project, as applied to various investigations of solids, liquids and interfaces, demonstrates that FPMD simulations can provide a detailed, atomic-scale picture of structural, vibrational and electronic properties of complex systems relevant to energy conversion devices.« less

  2. Static aeroelastic behavior of a subsonic plate wing

    NASA Astrophysics Data System (ADS)

    Berci, M.

    2017-07-01

    The static aeroelastic behavior of a subsonic plate wing is here described by semi-analytical means. Within a generalised modal formulation, any distribution of the plate's properties is allowed. Modified strip theory is employed for the aerodynamic modelling and a linear aeroelastic model is eventually derived. Numerical results are then shown for the plate's aeroelastic stability in terms of divergence speed, with respect to the most relevant aero-structural parameters.

  3. Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles

    NASA Astrophysics Data System (ADS)

    Timerkaeva, Dilyara; Attaccalite, Claudio; Brenet, Gilles; Caliste, Damien; Pochet, Pascal

    2018-04-01

    The structure of the CiCs complex in silicon has long been the subject of debate. Numerous theoretical and experimental studies have attempted to shed light on the properties of these defects that are at the origin of the light emitting G-center. These defects are relevant for applications in lasing, and it would be advantageous to control their formation and concentration in bulk silicon. It is therefore essential to understand their structural and electronic properties. In this paper, we present the structural, electronic, and optical properties of four possible configurations of the CiCs complex in bulk silicon, namely, the A-, B-, C-, and D-forms. The configurations were studied by density functional theory and many-body perturbation theory. Our results suggest that the C-form was misinterpreted as a B-form in some experiments. Our optical investigation also tends to exclude any contribution of A- and B-forms to light emission. Taken together, our results suggest that the C-form could play an important role in heavily carbon-doped silicon.

  4. Choosing Appropriate Theories for Understanding Hospital Reporting of Adverse Drug Events, a Theoretical Domains Framework Approach

    PubMed Central

    Shalviri, Gloria; Yazdizadeh, Bahareh; Mirbaha, Fariba; Gholami, Kheirollah; Majdzadeh, Reza

    2018-01-01

    Adverse drug events (ADEs) may cause serious injuries including death. Spontaneous reporting of ADEs plays a great role in detection and prevention of them; however, underreporting always exists. Although several interventions have been utilized to solve this problem, they are mainly based on experience and the rationale for choosing them has no theoretical base. The vast variety of behavioural theories makes it difficult to choose appropriate theory. Theoretical domains framework (TDF) is suggested as a solution. The objective of this study was to select the best theory for evaluating ADE reporting in hospitals based on TDF. We carried out three focus group discussions with hospital pharmacists and nurses, based on TDF questions. The analysis was performed through five steps including coding discussions transcript, extracting beliefs, selecting relevant domains, matching related constructs to the extracted beliefs, and determining the appropriate theories in each domain. The theory with the highest number of matched domains and constructs was selected as the theory of choice. A total of six domains were identified relevant to ADE reporting, including “Knowledge”, “Skills”, “Beliefs about consequences”, “Motivation and goals”, “Environmental context and resources” and “Social influences”. We found theory of planned behavior as the comprehensive theory to study factors influencing ADE reporting in hospitals, since it was relevant theory in five out of six relevant domains and the common theory in 55 out of 75 identified beliefs. In conclusion, we suggest theory of planned behavior for further studies on designing appropriate interventions to increase ADE reporting in hospitals. PMID:29881437

  5. Choosing Appropriate Theories for Understanding Hospital Reporting of Adverse Drug Events, a Theoretical Domains Framework Approach.

    PubMed

    Shalviri, Gloria; Yazdizadeh, Bahareh; Mirbaha, Fariba; Gholami, Kheirollah; Majdzadeh, Reza

    2018-01-01

    Adverse drug events (ADEs) may cause serious injuries including death. Spontaneous reporting of ADEs plays a great role in detection and prevention of them; however, underreporting always exists. Although several interventions have been utilized to solve this problem, they are mainly based on experience and the rationale for choosing them has no theoretical base. The vast variety of behavioural theories makes it difficult to choose appropriate theory. Theoretical domains framework (TDF) is suggested as a solution. The objective of this study was to select the best theory for evaluating ADE reporting in hospitals based on TDF. We carried out three focus group discussions with hospital pharmacists and nurses, based on TDF questions. The analysis was performed through five steps including coding discussions transcript, extracting beliefs, selecting relevant domains, matching related constructs to the extracted beliefs, and determining the appropriate theories in each domain. The theory with the highest number of matched domains and constructs was selected as the theory of choice. A total of six domains were identified relevant to ADE reporting, including "Knowledge", "Skills", "Beliefs about consequences", "Motivation and goals", "Environmental context and resources" and "Social influences". We found theory of planned behavior as the comprehensive theory to study factors influencing ADE reporting in hospitals, since it was relevant theory in five out of six relevant domains and the common theory in 55 out of 75 identified beliefs. In conclusion, we suggest theory of planned behavior for further studies on designing appropriate interventions to increase ADE reporting in hospitals.

  6. Towards a model of surgeons' leadership in the operating room.

    PubMed

    Henrickson Parker, Sarah; Yule, Steven; Flin, Rhona; McKinley, Aileen

    2011-07-01

    There is widespread recognition that leadership skills are essential for effective performance in the workplace, but the evidence detailing effective leadership behaviours for surgeons during operations is unclear. Boolean searches of four on-line databases and detailed hand search of relevant references were conducted. A four stage screening process was adopted stipulating that articles presented empirical data on surgeons' intraoperative leadership behaviours. Ten relevant articles were identified and organised by method of investigation into (i) observation, (ii) questionnaire and (iii) interview studies. This review summarises the limited literature on surgeons' intraoperative leadership, and proposes a preliminary theoretically based structure for intraoperative leadership behaviours. This structure comprises seven categories with corresponding leadership components and covers two overarching themes related to task- and team-focus. Selected leadership theories which may be applicable to the operating room environment are also discussed. Further research is required to determine effective intraoperative leadership behaviours for safe surgical practice.

  7. Discovering Hidden Controlling Parameters using Data Analytics and Dimensional Analysis

    NASA Astrophysics Data System (ADS)

    Del Rosario, Zachary; Lee, Minyong; Iaccarino, Gianluca

    2017-11-01

    Dimensional Analysis is a powerful tool, one which takes a priori information and produces important simplifications. However, if this a priori information - the list of relevant parameters - is missing a relevant quantity, then the conclusions from Dimensional Analysis will be incorrect. In this work, we present novel conclusions in Dimensional Analysis, which provide a means to detect this failure mode of missing or hidden parameters. These results are based on a restated form of the Buckingham Pi theorem that reveals a ridge function structure underlying all dimensionless physical laws. We leverage this structure by constructing a hypothesis test based on sufficient dimension reduction, allowing for an experimental data-driven detection of hidden parameters. Both theory and examples will be presented, using classical turbulent pipe flow as the working example. Keywords: experimental techniques, dimensional analysis, lurking variables, hidden parameters, buckingham pi, data analysis. First author supported by the NSF GRFP under Grant Number DGE-114747.

  8. 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.

  9. What is a Question?

    NASA Technical Reports Server (NTRS)

    Knuth, Kevin H.; Clancy, Daniel (Technical Monitor)

    2002-01-01

    A given question can be defined in terms of the set of statements or assertions that answer it. Application of the logic of inference to this set of assertions allows one to derive the logic of inquiry among questions. There are interesting symmetries between the logics of inference and inquiry; where probability describes the degree to which a premise implies an assertion, there exists an analogous quantity that describes the bearing or relevance that a question has on an outstanding issue. These have been extended to suggest that the logic of inquiry results in functional relationships analogous to, although more general than, those found in information theory. Employing lattice theory, I examine in greater detail the structure of the space of assertions and questions demonstrating that the symmetries between the logical relations in each of the spaces derive directly from the lattice structure. Furthermore, I show that while symmetries between the spaces exist, the two lattices are not isomorphic. The lattice of assertions is described by a Boolean lattice 2(sup N) whereas the lattice of real questions is shown to be a sublattice of the free distributive lattice FD(N) = 2(sup 2(sup N)). Thus there does not exist a one-to-one mapping of assertions to questions, there is no reflection symmetry between the two spaces, and questions in general do not possess unique complements. Last, with these lattice structures in mind, I discuss the relationship between probability, relevance and entropy.

  10. The construction of ``realistic'' four-dimensional strings through orbifolds

    NASA Astrophysics Data System (ADS)

    Font, A.; Ibáñez, L. E.; Quevedo, F.; Sierra, A.

    1990-02-01

    We discuss the construction of "realistic" lower rank 4-dimensional strings, through symmetric orbifolds with background fields. We present Z 3 three-generation SU(3) × SU(2) × U(1) models as well as models incorporating a left-right SU(2) L × SU(2) R × U(1) B-L symmetry in which proton stability is automatically guaranteed. Conformal field theory selection rules are used to find the flat directions to all orders which lead to these low-rank models and to study the relevant Yukawa couplings. A hierarchical structure of quark-lepton masses appears naturally in some models. We also present a detailed study of the structure of the Z 3 × Z 3 orbifold including the generalized GSO projection, the effect of discrete torsion and the conformal field theory Yukawa coupling selection rules. All these points are illustrated with a three-generation Z 3 × Z 3 model. We have made an effort to write a self-contained presentation in order to make this material available to non-string experts interested in the phenomenological aspects of this theory.

  11. Tom Bonner Prize Lecture: The Beta Spectrum of Tritium and the Problem of Neutrino Mass

    NASA Astrophysics Data System (ADS)

    Robertson, R. G. Hamish

    1997-04-01

    Enrico Fermi showed more than 60 years ago that the shape of beta spectra was sensitive to the mass of the unobserved particle, the neutrino, proposed by Wolfgang Pauli. With the discovery of tritium and its small decay energy, increasingly stringent limits were placed on the electron antineutrino mass. A roadblock at about 50 eV, namely the atomic and molecular structure of tritium-containing substances, was surmounted in the 1980s with the development at Los Alamos of methods for high-resolution beta spectroscopy with gases, together with worldwide theoretical work on the structure of diatomic T2 and T^3He^+. It was then possible to reach the very interesting region of cosmological relevance below 20 eV. An unexpected and strange new roadblock has now been encountered in all experiments on T_2. The spectrum near the endpoint is not consistent with theory either with or without neutrino mass. The questions now are, do the experiments all report the same phenomenon, and (if so) is it atomic theory, particle theory, or perhaps cosmology that needs repair?

  12. Electronic Structure, Dielectric Response, and Surface Charge Distribution of RGD (1FUV) Peptide

    PubMed Central

    Adhikari, Puja; Wen, Amy M.; French, Roger H.; Parsegian, V. Adrian; Steinmetz, Nicole F.; Podgornik, Rudolf; Ching, Wai-Yim

    2014-01-01

    Long and short range molecular interactions govern molecular recognition and self-assembly of biological macromolecules. Microscopic parameters in the theories of these molecular interactions are either phenomenological or need to be calculated within a microscopic theory. We report a unified methodology for the ab initio quantum mechanical (QM) calculation that yields all the microscopic parameters, namely the partial charges as well as the frequency-dependent dielectric response function, that can then be taken as input for macroscopic theories of electrostatic, polar, and van der Waals-London dispersion intermolecular forces. We apply this methodology to obtain the electronic structure of the cyclic tripeptide RGD-4C (1FUV). This ab initio unified methodology yields the relevant parameters entering the long range interactions of biological macromolecules, providing accurate data for the partial charge distribution and the frequency-dependent dielectric response function of this peptide. These microscopic parameters determine the range and strength of the intricate intermolecular interactions between potential docking sites of the RGD-4C ligand and its integrin receptor. PMID:25001596

  13. The Accidental Transgressor: Morally-Relevant Theory of Mind

    ERIC Educational Resources Information Center

    Killen, Melanie; Mulvey, Kelly Lynn; Richardson, Cameron; Jampol, Noah; Woodward, Amanda

    2011-01-01

    To test young children's false belief theory of mind in a morally relevant context, two experiments were conducted. In Experiment 1, children (N=162) at 3.5, 5.5, and 7.5 years of age were administered three tasks: prototypic moral transgression task, false belief theory of mind task (ToM), and an "accidental transgressor" task, which measured a…

  14. Life politics, nature and the state: Giddens' sociological theory and The Politics of Climate Change.

    PubMed

    Thorpe, Charles; Jacobson, Brynna

    2013-03-01

    Anthony Giddens' The Politics of Climate Change represents a significant shift in the way in which he addresses ecological politics. In this book, he rejects the relevance of environmentalism and demarcates climate-change policy from life politics. Giddens addresses climate change in the technocratic mode of simple rather than reflexive modernization. However, Giddens' earlier sociological theory provides the basis for a more reflexive understanding of climate change. Climate change instantiates how, in high modernity, the existential contradiction of the human relationship with nature returns in new form, expressed in life politics and entangled with the structural contradictions of the capitalist state. The interlinking of existential and structural contradiction is manifested in the tension between life politics and the capitalist nation-state. This tension is key for understanding the failures so far of policy responses to climate change. © London School of Economics and Political Science 2013.

  15. Atomic structure of the GaAs(001)-c(4x4) surface: first-principles evidence for diversity of heterodimer motifs.

    PubMed

    Penev, E; Kratzer, P; Scheffler, M

    2004-10-01

    The GaAs(001)-c(4x4) surface was studied using ab initio atomistic thermodynamics based on density-functional theory calculations. We demonstrate that in a range of stoichiometries, between those of the conventional three As-dimer and the new three Ga-As-dimer models, there exists a diversity of atomic structures featuring Ga-As heterodimers. These results fully explain the experimental scanning tunneling microscopy images and are likely to be relevant also to the c(4x4)-reconstructed (001) surfaces of other III-V semiconductors.

  16. Learning higher-order generalizations through free play: Evidence from 2- and 3-year-old children.

    PubMed

    Sim, Zi L; Xu, Fei

    2017-04-01

    Constructivist views of cognitive development often converge on 2 key points: (a) the child's goal is to build large conceptual structures for understanding the world, and (b) the child plays an active role in developing these structures. While previous research has demonstrated that young children show a precocious capacity for concept and theory building when they are provided with helpful data within training settings, and that they explore their environment in ways that may promote learning, it remains an open question whether young children are able to build larger conceptual structures using self-generated evidence, a form of active learning. In the current study, we examined whether children can learn high-order generalizations (which form the basis for larger conceptual structures) through free play, and whether they can do so as effectively as when provided with relevant data. Results with 2- and 3-year-old children over 4 experiments indicate robust learning through free play, and generalization performance was comparable between free play and didactic conditions. Therefore, young children's self-directed learning supports the development of higher-order generalizations, laying the foundation for building larger conceptual structures and intuitive theories. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  17. Ensemble method: Community detection based on game theory

    NASA Astrophysics Data System (ADS)

    Zhang, Xia; Xia, Zhengyou; Xu, Shengwu; Wang, J. D.

    2014-08-01

    Timely and cost-effective analytics over social network has emerged as a key ingredient for success in many businesses and government endeavors. Community detection is an active research area of relevance to analyze online social network. The problem of selecting a particular community detection algorithm is crucial if the aim is to unveil the community structure of a network. The choice of a given methodology could affect the outcome of the experiments because different algorithms have different advantages and depend on tuning specific parameters. In this paper, we propose a community division model based on the notion of game theory, which can combine advantages of previous algorithms effectively to get a better community classification result. By making experiments on some standard dataset, it verifies that our community detection model based on game theory is valid and better.

  18. Complex magnetism of lanthanide intermetallics and the role of their valence electrons: Ab Initio theory and experiment

    DOE PAGES

    Petit, L.; Paudyal, D.; Mudryk, Y.; ...

    2015-11-09

    We explain a profound complexity of magnetic interactions of some technologically relevant gadolinium intermetallics using an ab initio electronic structure theory which includes disordered local moments and strong f-electron correlations. The theory correctly finds GdZn and GdCd to be simple ferromagnets and predicts a remarkably large increase of Curie temperature with a pressure of +1.5 K kbar –1 for GdCd confirmed by our experimental measurements of +1.6 K kbar –1. Moreover, we find the origin of a ferromagnetic-antiferromagnetic competition in GdMg manifested by noncollinear, canted magnetic order at low temperatures. As a result, replacing 35% of the Mg atoms withmore » Zn removes this transition, in excellent agreement with long-standing experimental data.« less

  19. 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.

  20. The Classical Theory of Composition; From Its Origins to the Present: A Historical Survey (University of North Carolina Studies in Comparative Literature, No. 53.)

    ERIC Educational Resources Information Center

    Scaglione, Aldo

    The major purpose of this study is the descriptive analysis of a large body of literature, mainly technical, which attempts to explain the structure of sentences and ordering of their elements, on the linguistic and artistic levels. It is hoped that this study helps to document the relevance of technical material for the proper understanding of…

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

    Cao, Siqin; Department of Chemistry, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon; Sheong, Fu Kit

    Reference interaction site model (RISM) has recently become a popular approach in the study of thermodynamical and structural properties of the solvent around macromolecules. On the other hand, it was widely suggested that there exists water density depletion around large hydrophobic solutes (>1 nm), and this may pose a great challenge to the RISM theory. In this paper, we develop a new analytical theory, the Reference Interaction Site Model with Hydrophobicity induced density Inhomogeneity (RISM-HI), to compute solvent radial distribution function (RDF) around large hydrophobic solute in water as well as its mixture with other polyatomic organic solvents. To achievemore » this, we have explicitly considered the density inhomogeneity at the solute-solvent interface using the framework of the Yvon-Born-Green hierarchy, and the RISM theory is used to obtain the solute-solvent pair correlation. In order to efficiently solve the relevant equations while maintaining reasonable accuracy, we have also developed a new closure called the D2 closure. With this new theory, the solvent RDFs around a large hydrophobic particle in water and different water-acetonitrile mixtures could be computed, which agree well with the results of the molecular dynamics simulations. Furthermore, we show that our RISM-HI theory can also efficiently compute the solvation free energy of solute with a wide range of hydrophobicity in various water-acetonitrile solvent mixtures with a reasonable accuracy. We anticipate that our theory could be widely applied to compute the thermodynamic and structural properties for the solvation of hydrophobic solute.« less

  2. Parent-child learning interactions: A review of the literature on scaffolding.

    PubMed

    Mermelshtine, Roni

    2017-06-01

    Scaffolding can be observed during learning-based interactions, when interventions by parents are adjusted according to children's observed abilities, with the main goal of enabling the child to work independently (Wood et al., 1976, Journal of child psychology and psychiatry, 17, 89). Such contingent instruction behaviours occur from infancy, and are said to be relevant for children's development of executive function, language acquisition, and cognitive and academic abilities. Scaffolding behaviours are considered a product of the family and the wider context, a process affected by parent and child characteristics, and the environment they inhabit. Over 40 years of scaffolding research has produced an abundance of findings. Early investigations were concerned with the conceptualization of scaffolding, whereas more recent studies build upon the theory, testing its correlates and relevance for child development. This article offers an overview of the literature, focusing on the relevance of scaffolding for child developmental outcomes, and the factors associated with individual differences in the process. The article is structured such that the origins of the theory and its definitions are discussed first, followed by an overview of the correlates of scaffolding. The review concludes with a critical evaluation of the literature, proposing novel avenues for future research. © 2017 The British Psychological Society.

  3. Gene Regulatory Network Inferences Using a Maximum-Relevance and Maximum-Significance Strategy

    PubMed Central

    Liu, Wei; Zhu, Wen; Liao, Bo; Chen, Xiangtao

    2016-01-01

    Recovering gene regulatory networks from expression data is a challenging problem in systems biology that provides valuable information on the regulatory mechanisms of cells. A number of algorithms based on computational models are currently used to recover network topology. However, most of these algorithms have limitations. For example, many models tend to be complicated because of the “large p, small n” problem. In this paper, we propose a novel regulatory network inference method called the maximum-relevance and maximum-significance network (MRMSn) method, which converts the problem of recovering networks into a problem of how to select the regulator genes for each gene. To solve the latter problem, we present an algorithm that is based on information theory and selects the regulator genes for a specific gene by maximizing the relevance and significance. A first-order incremental search algorithm is used to search for regulator genes. Eventually, a strict constraint is adopted to adjust all of the regulatory relationships according to the obtained regulator genes and thus obtain the complete network structure. We performed our method on five different datasets and compared our method to five state-of-the-art methods for network inference based on information theory. The results confirm the effectiveness of our method. PMID:27829000

  4. SOCIAL, HISTORICAL AND CULTURAL DIMENSIONS OF TUBERCULOSIS.

    PubMed

    Mason, Paul H; Roy, Anupom; Spillane, Jayden; Singh, Puneet

    2016-03-01

    Tuberculosis (TB) researchers and clinicians, by virtue of the social disease they study, are drawn into an engagement with ways of understanding illness that extend beyond the strictly biomedical model. Primers on social science concepts directly relevant to TB, however, are lacking. The particularities of TB disease mean that certain social science concepts are more relevant than others. Concepts such as structural violence can seem complicated and off-putting. Other concepts, such as gender, can seem so familiar that they are left relatively unexplored. An intimate familiarity with the social dimensions of disease is valuable, particularly for infectious diseases, because the social model is an important complement to the biomedical model. This review article offers an important introduction to a selection of concepts directly relevant to TB from health sociology, medical anthropology and social cognitive theory. The article has pedagogical utility and also serves as a useful refresher for those researchers already engaged in this genre of work. The conceptual tools of health sociology, medical anthropology and social cognitive theory offer insightful ways to examine the social, historical and cultural dimensions of public health. By recognizing cultural experience as a central force shaping human interactions with the world, TB researchers and clinicians develop a more nuanced consideration of how health, illness and medical treatment are understood, interpreted and confronted.

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

    Zarkevich, N. A.; Johnson, D. D.

    NiTi is the most used shape-memory alloy, nonetheless, a lack of understanding remains regarding the associated structures and transitions, including their barriers. Using a generalized solid-state nudge elastic band (GSSNEB) method implemented via density-functional theory, we detail the structural transformations in NiTi relevant to shape memory: those between body-centered orthorhombic (BCO) groundstate and a newly identified stable austenite (“glassy” B2-like) structure, including energy barriers (hysteresis) and intermediate structures (observed as a kinetically limited R-phase), and between martensite variants (BCO orientations). All results are in good agreement with available experiment. We contrast the austenite results to those from the often-assumed, butmore » unstable B2. Furthermore, these high- and low-temperature structures and structural transformations provide much needed atomic-scale detail for transitions responsible for NiTi shape-memory effects.« less

  6. Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules.

    PubMed

    Cao, Siqin; Sheong, Fu Kit; Huang, Xuhui

    2015-08-07

    Reference interaction site model (RISM) has recently become a popular approach in the study of thermodynamical and structural properties of the solvent around macromolecules. On the other hand, it was widely suggested that there exists water density depletion around large hydrophobic solutes (>1 nm), and this may pose a great challenge to the RISM theory. In this paper, we develop a new analytical theory, the Reference Interaction Site Model with Hydrophobicity induced density Inhomogeneity (RISM-HI), to compute solvent radial distribution function (RDF) around large hydrophobic solute in water as well as its mixture with other polyatomic organic solvents. To achieve this, we have explicitly considered the density inhomogeneity at the solute-solvent interface using the framework of the Yvon-Born-Green hierarchy, and the RISM theory is used to obtain the solute-solvent pair correlation. In order to efficiently solve the relevant equations while maintaining reasonable accuracy, we have also developed a new closure called the D2 closure. With this new theory, the solvent RDFs around a large hydrophobic particle in water and different water-acetonitrile mixtures could be computed, which agree well with the results of the molecular dynamics simulations. Furthermore, we show that our RISM-HI theory can also efficiently compute the solvation free energy of solute with a wide range of hydrophobicity in various water-acetonitrile solvent mixtures with a reasonable accuracy. We anticipate that our theory could be widely applied to compute the thermodynamic and structural properties for the solvation of hydrophobic solute.

  7. Jorge A. Swieca's contributions to quantum field theory in the 60s and 70s and their relevance in present research

    NASA Astrophysics Data System (ADS)

    Schroer, B.

    2010-07-01

    After revisiting some high points of particle physics and QFT of the two decades from 1960 to 1980, I comment on the work by Jorge André Swieca. I explain how it fits into the quantum field theory during these two decades and draw attention to its relevance to the ongoing particle physics research. A particular aim of this article is to direct the readers mindfulness to the relevance of what at the time of Swieca was called “the Schwinger Higgs screening mechanism” which, together with recent ideas which generalize the concept of gauge theories, has all the ingredients to revolutionize the issue of gauge theories and the standard model.

  8. Structural aspects of Hamilton-Jacobi theory

    NASA Astrophysics Data System (ADS)

    Cariñena, J. F.; Gràcia, X.; Marmo, G.; Martínez, E.; Muñoz-Lecanda, M. C.; Román-Roy, N.

    2016-12-01

    In our previous papers [J. F. Cariñena, X. Gràcia, G. Marmo, E. Martínez, M. C. Muñoz-Lecanda and N. Román-Roy, Geometric Hamilton-Jacobi theory, Int. J. Geom. Meth. Mod. Phys. 3 (2006) 1417-1458; Geometric Hamilton-Jacobi theory for nonholonomic dynamical systems, Int. J. Geom. Meth. Mod. Phys. 7 (2010) 431-454] we showed that the Hamilton-Jacobi problem can be regarded as a way to describe a given dynamics on a phase space manifold in terms of a family of dynamics on a lower-dimensional manifold. We also showed how constants of the motion help to solve the Hamilton-Jacobi equation. Here we want to delve into this interpretation by considering the most general case: a dynamical system on a manifold that is described in terms of a family of dynamics (slicing vector fields) on lower-dimensional manifolds. We identify the relevant geometric structures that lead from this decomposition of the dynamics to the classical Hamilton-Jacobi theory, by considering special cases like fibered manifolds and Hamiltonian dynamics, in the symplectic framework and the Poisson one. We also show how a set of functions on a tangent bundle can determine a second-order dynamics for which they are constants of the motion.

  9. Teaching Chemistry with Electron Density Models

    NASA Astrophysics Data System (ADS)

    Shusterman, Gwendolyn P.; Shusterman, Alan J.

    1997-07-01

    Linus Pauling once said that a topic must satisfy two criteria before it can be taught to students. First, students must be able to assimilate the topic within a reasonable amount of time. Second, the topic must be relevant to the educational needs and interests of the students. Unfortunately, the standard general chemistry textbook presentation of "electronic structure theory", set as it is in the language of molecular orbitals, has a difficult time satisfying either criterion. Many of the quantum mechanical aspects of molecular orbitals are too difficult for most beginning students to appreciate, much less master, and the few applications that are presented in the typical textbook are too limited in scope to excite much student interest. This article describes a powerful new method for teaching students about electronic structure and its relevance to chemical phenomena. This method, which we have developed and used for several years in general chemistry (G.P.S.) and organic chemistry (A.J.S.) courses, relies on computer-generated three-dimensional models of electron density distributions, and largely satisfies Pauling's two criteria. Students find electron density models easy to understand and use, and because these models are easily applied to a broad range of topics, they successfully convey to students the importance of electronic structure. In addition, when students finally learn about orbital concepts they are better prepared because they already have a well-developed three-dimensional picture of electronic structure to fall back on. We note in this regard that the types of models we use have found widespread, rigorous application in chemical research (1, 2), so students who understand and use electron density models do not need to "unlearn" anything before progressing to more advanced theories.

  10. Activity Theory as a Tool to Address the Problem of Chemistry's Lack of Relevance in Secondary School Chemical Education

    ERIC Educational Resources Information Center

    Van Aalsvoort, Joke

    2004-01-01

    In a previous article, the problem of chemistry's lack of relevance in secondary chemical education was analysed using logical positivism as a tool. This article starts with the hypothesis that the problem can be addressed by means of activity theory, one of the important theories within the sociocultural school. The reason for this expectation is…

  11. Tribology of magnetic storage systems

    NASA Technical Reports Server (NTRS)

    Bhushan, Bharat

    1992-01-01

    The construction and the materials used in different magnetic storage devices are defined. The theories of friction and adhesion, interface temperatures, wear, and solid-liquid lubrication relevant to magnetic storage systems are presented. Experimental data are presented wherever possible to support the relevant theories advanced.

  12. Identifying and applying psychological theory to setting and achieving rehabilitation goals.

    PubMed

    Scobbie, Lesley; Wyke, Sally; Dixon, Diane

    2009-04-01

    Goal setting is considered to be a fundamental part of rehabilitation; however, theories of behaviour change relevant to goal-setting practice have not been comprehensively reviewed. (i) To identify and discuss specific theories of behaviour change relevant to goal-setting practice in the rehabilitation setting. (ii) To identify 'candidate' theories that that offer most potential to inform clinical practice. The rehabilitation and self-management literature was systematically searched to identify review papers or empirical studies that proposed a specific theory of behaviour change relevant to setting and/or achieving goals in a clinical context. Data from included papers were extracted under the headings of: key constructs, clinical application and empirical support. Twenty-four papers were included in the review which proposed a total of five theories: (i) social cognitive theory, (ii) goal setting theory, (iii) health action process approach, (iv) proactive coping theory, and (v) the self-regulatory model of illness behaviour. The first three of these theories demonstrated most potential to inform clinical practice, on the basis of their capacity to inform interventions that resulted in improved patient outcomes. Social cognitive theory, goal setting theory and the health action process approach are theories of behaviour change that can inform clinicians in the process of setting and achieving goals in the rehabilitation setting. Overlapping constructs within these theories have been identified, and can be applied in clinical practice through the development and evaluation of a goal-setting practice framework.

  13. Structure and Magnetic Properties in Ruthenium-Based Full-Heusler Alloys: AB INITIO Calculations

    NASA Astrophysics Data System (ADS)

    Bahlouli, S.; Aarizou, Z.; Elchikh, M.

    2013-12-01

    In this paper, we present ab initio calculations within density functional theory (DFT) to investigate structure, electronic and magnetic properties of Ru2CrZ (Z = Si, Ge and Sn) full-Heusler alloys. We have used the developed full-potential linearized muffin tin orbitals (FP-LMTO) based on the local spin density approximation (LSDA) with the PLane Wave expansion (PLW). In particular, we found that these Ruthenium-based Heusler alloys have the antiferromagnetic (AFM) type II as ground state. Then, we studied and discussed the magnetic properties belonging to our different magnetic structures: AFM type II, AFM type I and ferromagnetic (FM) phase. We also found that Ru2CrSi and Ru2CrGe exhibit a semiconducting behavior whereas Ru2CrSn has a semimetallic-like behavior as it is experimentally found. We made an estimation of Néel temperatures (TN) in the framework of the mean-field theory and used the energy differences approach to deduce the relevant short-range nearest-neighbor (J1) and next-nearest-neighbor (J2) interactions. The calculated TN are somewhat overestimated to the available experimental ones.

  14. The Ionization History of The Intergalactic Medium:

    NASA Technical Reports Server (NTRS)

    Madau, Piero

    2003-01-01

    The funded project seeked a unified description of the ionization, physical structure, and evolution of the intergalactic medium (IGM) and quasar intervening absorption systems. We proposed to conduct theoretical studies of the IGM and QSO absorbers in the context of current theories of galaxy formation, developing and using numerical and analytical techniques aimed at a detailed modeling of cosmological radiative transfer, gas dynamics, and thermal and ionization evolution. The ionization history of the IGM has important implications for the metagalactic UV background, intergalactic helium absorption 21-cm tomography, metal absorption systems, fluctuations in the microwave background, and the cosmic rate of structure and star formation. All the original objectives of our program have been achieved, and the results widely used and quoted by the community. Indeed, they remain relevant as the level and complexity of research in this area has increased substantially since our proposal was submitted, due to new discoveries on galaxy formation and evolution, a flood of high-quality data on the distant universe, new theoretical ideas and direct numerical simulations of structure formation in hierarchical clustering theories.

  15. Bridging Theory and Practice: Using Hip-Hop Pedagogy As A Culturally Relevant Approach In The Urban Science Classroom

    NASA Astrophysics Data System (ADS)

    Adjapong, Edmund S.

    This dissertation explores the context of urban science education as it relates to the achievement and engagement of urban youth. This study provides a framework for Hip-Hop Pedagogy, an approach to teaching and learning anchored in the creative elements of Hip-Hop culture, in STEM as an innovative approach to teaching and learning demonstrates the effect that Hip-Hop Pedagogy, as a culturally relevant approach to teaching has on teaching and learning in an urban science classroom. This study establishes practical tools and approaches, which were formed from by theory and research that transcend the traditional monolithic approaches to teaching science. Participants in this study are middle school students who attend an urban school in one of the largest school systems in the country. This research showed that as result of utilizing Hip-Hop pedagogical practices, students reported that they developed a deeper understanding of science content, students were more likely to identify as scientists, and students were provided a space and opportunities to deconstruct traditional classroom spaces and structures.

  16. Theory of the interface between a classical plasma and a hard wall

    NASA Astrophysics Data System (ADS)

    Ballone, P.; Pastore, G.; Tosi, M. P.

    1983-09-01

    The interfacial density profile of a classical one-component plasma confined by a hard wall is studied in planar and spherical geometries. The approach adapts to interfacial problems a modified hypernetted-chain approximation developed by Lado and by Rosenfeld and Ashcroft for the bulk structure of simple liquids. The specific new aim is to embody selfconsistently into the theory a contact theorem, fixing the plasma density at the wall through an equilibrium condition which involves the electrical potential drop across the interface and the bulk pressure. The theory is brought into fully quantitative contact with computer simulation data for a plasma confined in a spherical cavity of large but finite radius. The interfacial potential at the point of zero charge is accurately reproduced by suitably combining the contact theorem with relevant bulk properties in a simple, approximate representation of the interfacial charge density profile.

  17. Theory of the interface between a classical plasma and a hard wall

    NASA Astrophysics Data System (ADS)

    Ballone, P.; Pastore, G.; Tosi, M. P.

    1984-12-01

    The interfacial density profile of a classical one-component plasma confined by a hard wall is studied in planar and spherical geometries. The approach adapts to interfacial problems a modified hypernetted-chain approximation developed by Lado and by Rosenfeld and Ashcroft for the bulk structure of simple liquids. The specific new aim is to embody self-consistently into the theory a “contact theorem”, fixing the plasma density at the wall through an equilibrium condition which involves the electrical potential drop across the interface and the bulk pressure. The theory is brought into fully quantitative contact with computer simulation data for a plasma confined in a spherical cavity of large but finite radius. It is also shown that the interfacial potential at the point of zero charge is accurately reproduced by suitably combining the contact theorem with relevant bulk properties in a simple, approximate representation of the interfacial charge density profile.

  18. Evidence of benzenoid domains in nanographenes.

    PubMed

    Baldoni, Matteo; Mercuri, Francesco

    2015-01-21

    Calculations based on density functional theory demonstrate the occurrence of local deformations of the perfect honeycomb lattice in nanographenes to form arrangements, with triangular symmetry, composed of six-membered ring patterns. The formation of these locally regular superstructures, which can be considered as benzenoid-like domains on the 2D graphene lattice, is ascribed to the gain in resonance energy deriving from aromaticity. The relationship between the atomic morphology of nanographenes and details of the relaxed structure is rationalized in terms of Clar's theory of the aromatic sextet and by extending concepts borrowed from valence bond theory to 2D carbon nanostructures. Namely, two regular arrangements can be evidenced, defined as Clar (fully benzenoid) and Kekulé domains, which correspond to two different regular bond patterns in sets of adjacent six-membered rings. Our findings are compatible with recent experiments and have potentially relevant consequences in the development of novel electronic devices based on graphene materials.

  19. Comparison between the Health Belief Model and Subjective Expected Utility Theory: predicting incontinence prevention behaviour in post-partum women.

    PubMed

    Dolman, M; Chase, J

    1996-08-01

    A small-scale study was undertaken to test the relative predictive power of the Health Belief Model and Subjective Expected Utility Theory for the uptake of a behaviour (pelvic floor exercises) to reduce post-partum urinary incontinence in primigravida females. A structured questionnaire was used to gather data relevant to both models from a sample antenatal and postnatal primigravida women. Questions examined the perceived probability of becoming incontinent, the perceived (dis)utility of incontinence, the perceived probability of pelvic floor exercises preventing future urinary incontinence, the costs and benefits of performing pelvic floor exercises and sources of information and knowledge about incontinence. Multiple regression analysis focused on whether or not respondents intended to perform pelvic floor exercises and the factors influencing their decisions. Aggregated data were analysed to compare the Health Belief Model and Subjective Expected Utility Theory directly.

  20. Vested Interest theory and disaster preparedness.

    PubMed

    Miller, Claude H; Adame, Bradley J; Moore, Scott D

    2013-01-01

    Three studies were designed to extend a combination of vested interest theory (VI) and the extended parallel process model of fear appeals (EPPM) to provide formative research for creating more effective disaster preparedness social action campaigns. The aim was to develop an effective VI scale for assessing individual awareness and 'vestedness' relevant to disaster preparedness. Typical preparedness behaviours are discussed with emphasis on earthquakes and tornados in particular. Brief overviews of VI and the EPPM are offered, and findings are presented from three studies (one dealing with earthquakes, and two with tornados) conducted to determine the factor structure of the key VI components involved, and to develop and test subscales derived from the two theories. The paper finishes with a discussion of future research needs and suggestions on how the new subscales may be applied in the design and execution of more effective disaster preparedness campaigns. © 2013 The Author(s). Journal compilation © Overseas Development Institute, 2013.

  1. Electrochemistry and capillary condensation theory reveal the mechanism of corrosion in dense porous media.

    PubMed

    Stefanoni, Matteo; Angst, Ueli M; Elsener, Bernhard

    2018-05-09

    Corrosion in carbonated concrete is an example of corrosion in dense porous media of tremendous socio-economic and scientific relevance. The widespread research endeavors to develop novel, environmentally friendly cements raise questions regarding their ability to protect the embedded steel from corrosion. Here, we propose a fundamentally new approach to explain the scientific mechanism of corrosion kinetics in dense porous media. The main strength of our model lies in its simplicity and in combining the capillary condensation theory with electrochemistry. This reveals that capillary condensation in the pore structure defines the electrochemically active steel surface, whose variability upon changes in exposure relative humidity is accountable for the wide variability in measured corrosion rates. We performed experiments that quantify this effect and find good agreement with the theory. Our findings are essential to devise predictive models for the corrosion performance, needed to guarantee the safety and sustainability of traditional and future cements.

  2. Theoretical predictions for the phase stability of dense binary mixtures

    NASA Astrophysics Data System (ADS)

    Macfarlane, J. J.

    1983-08-01

    A new approach is developed for evaluating the mixing properties of binary solutions at high pressure. This involves solving Poisson's equation throughout three-dimensional cubic lattices, consistent with Thomas-Fermi-Dirac (TFD) theory. Zero temperature calculations are carried out for a variety of compositions and crystal structures in 3 pressure groups relevant to Jovian planetary interiors. Pseudopotentials based on the two-component-plasma model (with a uniform electron background) are fitted to the solid-state results, and are then used in liquid-state calculations using hard-sphere perturbation theory. TFD results if H-He solutions find critical temperatures (above which all compositions are soluble) to be approx. 0.500, and 1500 K at pressures of 10, 100, and 1000 Mbar, respectively. These temperatures are much lower than those obtained using free electron perturbation theory, where Tcrit approx. 10,000 K at 10 Mbar.

  3. Making sense of executive sensemaking. A phenomenological case study with methodological criticism.

    PubMed

    Parry, Jonathan

    2003-01-01

    This paper attempts to answer the research question, "how do senior executives in my organisation make sense of their professional life?" Having reviewed the sensemaking literature, in particular that of the pre-eminent author in this field, Karl E. Weick, I adopt a phenomenological, interpretist orientation which relies on an ideographic, inductive generation of theory. I situate myself, both as researcher and chief executive of the organisation studied, in the narrative of sensemaking. Using semi-structured interviews and a combination of grounded theory and template analysis to generate categories, seven themes of sensemaking are tentatively produced which are then compared with Weick's characteristics. The methodological approach is then reflected on, criticised and alternative methodologies are briefly considered. The conclusion reached is that the themes generated by the research may have relevance for sensemaking processes, but that the production of formal theory through social research is problematic.

  4. What is interesting? Exploring the appraisal structure of interest.

    PubMed

    Silvia, Paul J

    2005-03-01

    Relative to other emotions, interest is poorly understood. On the basis of theories of appraisal process and structure, it was predicted that interest consists of appraisals of novelty (factors related to unfamiliarity and complexity) and appraisals of coping potential (the ability to understand the new, complex thing). Four experiments, using in vivo rather than retrospective methods, supported this appraisal structure. The findings were general across measured and manipulated appraisals, interesting stimuli (random polygons, visual art, poetry), and measures of interest (self-reports, forced-choice, behavioral measures). Furthermore, the appraisal structure was specific to interest (it did not predict enjoyment, a related positive emotion), and appraisals predicted interest beyond relevant traits (curiosity, openness). The appraisal perspective offers a powerful way of construing the causes of interest. Copyright 2005 APA, all rights reserved.

  5. Message Processing Research from Psychology to Communication.

    ERIC Educational Resources Information Center

    Basil, Michael D.

    Information processing theories have been very useful in psychology. The application of information processing literature to communication, however, requires definitions of audiences and definitions of messages relevant to information-processing theories. In order to establish the relevant aspect of audiences, a multiple-stage model of audiences…

  6. Empirical and pragmatic adequacy of grounded theory: Advancing nurse empowerment theory for nurses' practice.

    PubMed

    Udod, Sonia A; Racine, Louise

    2017-12-01

    To draw on the findings of a grounded theory study aimed at exploring how power is exercised in nurse-manager relationships in the hospital setting, this paper examines the empirical and pragmatic adequacy of grounded theory as a methodology to advance the concept of empowerment in the area of nursing leadership and management. The evidence on staff nurse empowerment has highlighted the magnitude of individual and organisational outcomes, but has not fully explicated the micro-level processes underlying how power is exercised, shared or created within the nurse-manager relationship. Although grounded theory is a widely adopted nursing research methodology, it remains less used in nursing leadership because of the dominance of quantitative approaches to research. Grounded theory methodology provides the empirical and pragmatic relevance to inform nursing practice and policy. Grounded theory is a relevant qualitative approach to use in leadership research as it provides a fine and detailed analysis of the process underlying complexity and bureaucracy. Discursive paper. A critical examination of the empirical and pragmatic relevance of grounded theory by (Corbin & Strauss, , ) as a method for analysing and solving problems in nurses' practice is provided. This paper provides evidence to support the empirical and pragmatic adequacy of grounded theory methodology. Although the application of the ontological, epistemological and methodological assumptions of grounded theory is challenging, this methodology is useful to address real-life problems in nursing practice by developing theoretical explanations of nurse empowerment, or lack thereof, in the workplace. Grounded theory represents a relevant methodology to inform nursing leadership research. Grounded theory is anchored in the reality of practice. The strength of grounded theory is to provide results that can be readily applied to clinical practice and policy as they arise from problems that affect practice and that are meaningful to nurses. © 2017 John Wiley & Sons Ltd.

  7. Integral equation model for warm and hot dense mixtures.

    PubMed

    Starrett, C E; Saumon, D; Daligault, J; Hamel, S

    2014-09-01

    In a previous work [C. E. Starrett and D. Saumon, Phys. Rev. E 87, 013104 (2013)] a model for the calculation of electronic and ionic structures of warm and hot dense matter was described and validated. In that model the electronic structure of one atom in a plasma is determined using a density-functional-theory-based average-atom (AA) model and the ionic structure is determined by coupling the AA model to integral equations governing the fluid structure. That model was for plasmas with one nuclear species only. Here we extend it to treat plasmas with many nuclear species, i.e., mixtures, and apply it to a carbon-hydrogen mixture relevant to inertial confinement fusion experiments. Comparison of the predicted electronic and ionic structures with orbital-free and Kohn-Sham molecular dynamics simulations reveals excellent agreement wherever chemical bonding is not significant.

  8. Non-Abelian vortex lattices

    NASA Astrophysics Data System (ADS)

    Tallarita, Gianni; Peterson, Adam

    2018-04-01

    We perform a numerical study of the phase diagram of the model proposed in [M. Shifman, Phys. Rev. D 87, 025025 (2013)., 10.1103/PhysRevD.87.025025], which is a simple model containing non-Abelian vortices. As per the case of Abrikosov vortices, we map out a region of parameter space in which the system prefers the formation of vortices in ordered lattice structures. These are generalizations of Abrikosov vortex lattices with extra orientational moduli in the vortex cores. At sufficiently large lattice spacing the low energy theory is described by a sum of C P (1 ) theories, each located on a vortex site. As the lattice spacing becomes smaller, when the self-interaction of the orientational field becomes relevant, only an overall rotation in internal space survives.

  9. Quantum corrections for the cubic Galileon in the covariant language

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

    Saltas, Ippocratis D.; Vitagliano, Vincenzo, E-mail: isaltas@fc.ul.pt, E-mail: vincenzo.vitagliano@ist.utl.pt

    We present for the first time an explicit exposition of quantum corrections within the cubic Galileon theory including the effect of quantum gravity, in a background- and gauge-invariant manner, employing the field-reparametrisation approach of the covariant effective action at 1-loop. We show that the consideration of gravitational effects in combination with the non-linear derivative structure of the theory reveals new interactions at the perturbative level, which manifest themselves as higher-operators in the associated effective action, which' relevance is controlled by appropriate ratios of the cosmological vacuum and the Galileon mass scale. The significance and concept of the covariant approach inmore » this context is discussed, while all calculations are explicitly presented.« less

  10. Development of a theory-based (PEN-3 and Health Belief Model), culturally relevant intervention on cervical cancer prevention among Latina immigrants using intervention mapping.

    PubMed

    Scarinci, Isabel C; Bandura, Lisa; Hidalgo, Bertha; Cherrington, Andrea

    2012-01-01

    The development of efficacious theory-based, culturally relevant interventions to promote cervical cancer prevention among underserved populations is crucial to the elimination of cancer disparities. The purpose of this article is to describe the development of a theory-based, culturally relevant intervention focusing on primary (sexual risk reduction) and secondary (Pap smear) prevention of cervical cancer among Latina immigrants using intervention mapping (IM). The PEN-3 and Health Belief Model provided theoretical guidance for the intervention development and implementation. IM provides a logical five-step framework in intervention development: delineating proximal program objectives, selecting theory-based intervention methods and strategies, developing a program plan, planning for adoption in implementation, and creating evaluation plans and instruments. We first conducted an extensive literature review and qualitatively examined the sociocultural factors associated with primary and secondary prevention of cervical cancer. We then proceeded to quantitatively validate the qualitative findings, which led to development matrices linking the theoretical constructs with intervention objectives and strategies as well as evaluation. IM was a helpful tool in the development of a theory-based, culturally relevant intervention addressing primary and secondary prevention among Latina immigrants.

  11. Development of a Theory-Based (PEN-3 and Health Belief Model), Culturally Relevant Intervention on Cervical Cancer Prevention Among Latina Immigrants Using Intervention Mapping

    PubMed Central

    Scarinci, Isabel C.; Bandura, Lisa; Hidalgo, Bertha; Cherrington, Andrea

    2014-01-01

    The development of efficacious theory-based, culturally relevant interventions to promote cervical cancer prevention among underserved populations is crucial to the elimination of cancer disparities. The purpose of this article is to describe the development of a theory-based, culturally relevant intervention focusing on primary (sexual risk reduction) and secondary (Pap smear) prevention of cervical cancer among Latina immigrants using intervention mapping (IM). The PEN-3 and Health Belief Model provided theoretical guidance for the intervention development and implementation. IM provides a logical five-step framework in intervention development: delineating proximal program objectives, selecting theory-based intervention methods and strategies, developing a program plan, planning for adoption in implementation, and creating evaluation plans and instruments. We first conducted an extensive literature review and qualitatively examined the socio-cultural factors associated with primary and secondary prevention of cervical cancer. We then proceeded to quantitatively validate the qualitative findings, which led to development matrices linking the theoretical constructs with intervention objectives and strategies as well as evaluation. IM was a helpful tool in the development of a theory-based, culturally relevant intervention addressing primary and secondary prevention among Latina immigrants. PMID:21422254

  12. Self-assembly of Spherical Macroions in Solution: A Coarse-grained Molecular Dynamics Study

    NASA Astrophysics Data System (ADS)

    Liu, Zhuonan; Liu, Tianbo; Tsige, Mesfin

    2015-03-01

    Macroions (such as polyoxometalates) in solution can form a stable hollow spherical super-molecular structure called blackberry when they have moderate surface charge density and size (1-10 nm). Depending on the surface charge density of macroions, the size of the blackberry can be from 20 to more than 100 nm. Other macroions such as dendrimers can also self-assemble into similar super-molecular structure in solution. Existing theories such as Debye-Hückel and DLVO theories cannot explain this phenomenon and we are not aware of any other theory that can explain this. Previous studies using all-atom Molecular Dynamics simulations have shown identical macroions forming oligomers mediated by counterions. Due to the limitations in all-atom simulation and available computational capabilities, these studies handled only small systems with simple macroions, leading to less conclusive but still relevant results on the self-assembly behavior. To overcome these limitations, in this work large-scale coarse-grained modeling of macroions in solution is used. In order to understand the origin of the attractive force that is responsible for the self-assembly of macroions, different types of macroions in different solution conditions are studied. This work was supported by NSF Grant DMR0847580.

  13. Administrative Attribution Theory.

    ERIC Educational Resources Information Center

    Frasher, James M.; Frasher, Ramona S.

    1981-01-01

    Hypothesizes that the growing body of empirical data concerning attribution theory offers insight into the administrative process. To stimulate research to test this hypothesis, presents previous relevant research and a theory entitled Administrative Attribution Theory. Research questions applying the theory to educational administration are…

  14. The importance of psychological and social factors in influencing the uptake and maintenance of physical activity after stroke: a structured review of the empirical literature.

    PubMed

    Morris, Jacqui; Oliver, Tracey; Kroll, Thilo; Macgillivray, Steve

    2012-01-01

    Background. People with stroke are not maintaining adequate engagement in physical activity (PA) for health and functional benefit. This paper sought to describe any psychological and social factors that may influence physical activity engagement after stroke. Methods. A structured literature review of studies indexed in MEDLINE, CinAHL, P&BSC, and PsycINFO using search terms relevant to stroke, physical disabilities, and PA. Publications reporting empirical findings (quantitative or qualitative) regarding psychological and/or social factors were included. Results. Twenty studies from 19 publications (9 surveys, 1 RCT, and 10 qualitative studies) were included. Seventeen studies reported findings pertinent to psychological factors and fourteen findings pertinent to social factors. Conclusion. Self-efficacy, physical activity beliefs, and social support appear particularly relevant to physical activity behaviour after stroke and should be included in theoretically based physical interventions. The Transtheoretical Model and the Theory of Planned Behaviour are candidate behavioural models that may support intervention development.

  15. The heuristic-analytic theory of reasoning: extension and evaluation.

    PubMed

    Evans, Jonathan St B T

    2006-06-01

    An extensively revised heuristic-analytic theory of reasoning is presented incorporating three principles of hypothetical thinking. The theory assumes that reasoning and judgment are facilitated by the formation of epistemic mental models that are generated one at a time (singularity principle) by preconscious heuristic processes that contextualize problems in such a way as to maximize relevance to current goals (relevance principle). Analytic processes evaluate these models but tend to accept them unless there is good reason to reject them (satisficing principle). At a minimum, analytic processing of models is required so as to generate inferences or judgments relevant to the task instructions, but more active intervention may result in modification or replacement of default models generated by the heuristic system. Evidence for this theory is provided by a review of a wide range of literature on thinking and reasoning.

  16. Euclidean scalar field theory in the bilocal approximation

    NASA Astrophysics Data System (ADS)

    Nagy, S.; Polonyi, J.; Steib, I.

    2018-04-01

    The blocking step of the renormalization group method is usually carried out by restricting it to fluctuations and to local blocked action. The tree-level, bilocal saddle point contribution to the blocking, defined by the infinitesimal decrease of the sharp cutoff in momentum space, is followed within the three dimensional Euclidean ϕ6 model in this work. The phase structure is changed, new phases and relevant operators are found, and certain universality classes are restricted by the bilocal saddle point.

  17. Theoretical Mathematics

    NASA Astrophysics Data System (ADS)

    Stöltzner, Michael

    Answering to the double-faced influence of string theory on mathematical practice and rigour, the mathematical physicists Arthur Jaffe and Frank Quinn have contemplated the idea that there exists a `theoretical' mathematics (alongside `theoretical' physics) whose basic structures and results still require independent corroboration by mathematical proof. In this paper, I shall take the Jaffe-Quinn debate mainly as a problem of mathematical ontology and analyse it against the backdrop of two philosophical views that are appreciative towards informal mathematical development and conjectural results: Lakatos's methodology of proofs and refutations and John von Neumann's opportunistic reading of Hilbert's axiomatic method. The comparison of both approaches shows that mitigating Lakatos's falsificationism makes his insights about mathematical quasi-ontology more relevant to 20th century mathematics in which new structures are introduced by axiomatisation and not necessarily motivated by informal ancestors. The final section discusses the consequences of string theorists' claim to finality for the theory's mathematical make-up. I argue that ontological reductionism as advocated by particle physicists and the quest for mathematically deeper axioms do not necessarily lead to identical results.

  18. Detection of driver metabolites in the human liver metabolic network using structural controllability analysis

    PubMed Central

    2014-01-01

    Background Abnormal states in human liver metabolism are major causes of human liver diseases ranging from hepatitis to hepatic tumor. The accumulation in relevant data makes it feasible to derive a large-scale human liver metabolic network (HLMN) and to discover important biological principles or drug-targets based on network analysis. Some studies have shown that interesting biological phenomenon and drug-targets could be discovered by applying structural controllability analysis (which is a newly prevailed concept in networks) to biological networks. The exploration on the connections between structural controllability theory and the HLMN could be used to uncover valuable information on the human liver metabolism from a fresh perspective. Results We applied structural controllability analysis to the HLMN and detected driver metabolites. The driver metabolites tend to have strong ability to influence the states of other metabolites and weak susceptibility to be influenced by the states of others. In addition, the metabolites were classified into three classes: critical, high-frequency and low-frequency driver metabolites. Among the identified 36 critical driver metabolites, 27 metabolites were found to be essential; the high-frequency driver metabolites tend to participate in different metabolic pathways, which are important in regulating the whole metabolic systems. Moreover, we explored some other possible connections between the structural controllability theory and the HLMN, and find that transport reactions and the environment play important roles in the human liver metabolism. Conclusion There are interesting connections between the structural controllability theory and the human liver metabolism: driver metabolites have essential biological functions; the crucial role of extracellular metabolites and transport reactions in controlling the HLMN highlights the importance of the environment in the health of human liver metabolism. PMID:24885538

  19. Controlled ionic condensation at the surface of a native extremophile membrane

    NASA Astrophysics Data System (ADS)

    Contera, Sonia Antoranz; Voïtchovsky, Kislon; Ryan, John F.

    2010-02-01

    At the nanoscale level biological membranes present a complex interface with the solvent. The functional dynamics and relative flexibility of membrane components together with the presence of specific ionic effects can combine to create exciting new phenomena that challenge traditional theories such as the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory or models interpreting the role of ions in terms of their ability to structure water (structure making/breaking). Here we investigate ionic effects at the surface of a highly charged extremophile membrane composed of a proton pump (bacteriorhodopsin) and archaeal lipids naturally assembled into a 2D crystal. Using amplitude-modulation atomic force microscopy (AM-AFM) in solution, we obtained sub-molecular resolution images of ion-induced surface restructuring of the membrane. We demonstrate the presence of a stiff cationic layer condensed at its extracellular surface. This layer cannot be explained by traditional continuum theories. Dynamic force spectroscopy experiments suggest that it is produced by electrostatic correlation mediated by a Manning-type condensation of ions. In contrast, the cytoplasmic surface is dominated by short-range repulsive hydration forces. These findings are relevant to archaeal bioenergetics and halophilic adaptation. Importantly, they present experimental evidence of a natural system that locally controls its interactions with the surrounding medium and challenges our current understanding of biological interfaces.At the nanoscale level biological membranes present a complex interface with the solvent. The functional dynamics and relative flexibility of membrane components together with the presence of specific ionic effects can combine to create exciting new phenomena that challenge traditional theories such as the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory or models interpreting the role of ions in terms of their ability to structure water (structure making/breaking). Here we investigate ionic effects at the surface of a highly charged extremophile membrane composed of a proton pump (bacteriorhodopsin) and archaeal lipids naturally assembled into a 2D crystal. Using amplitude-modulation atomic force microscopy (AM-AFM) in solution, we obtained sub-molecular resolution images of ion-induced surface restructuring of the membrane. We demonstrate the presence of a stiff cationic layer condensed at its extracellular surface. This layer cannot be explained by traditional continuum theories. Dynamic force spectroscopy experiments suggest that it is produced by electrostatic correlation mediated by a Manning-type condensation of ions. In contrast, the cytoplasmic surface is dominated by short-range repulsive hydration forces. These findings are relevant to archaeal bioenergetics and halophilic adaptation. Importantly, they present experimental evidence of a natural system that locally controls its interactions with the surrounding medium and challenges our current understanding of biological interfaces. Electronic supplementary information (ESI) available: Figs. S1 and S2: amplitude- and phase-extension curves used to derive the data presented in Figs. 2 and 4. See DOI: 10.1039/b9nr00248k

  20. The Accidental Transgressor: Morally Relevant Theory of Mind

    PubMed Central

    Killen, Melanie; Mulvey, Kelly Lynn; Richardson, Cameron; Jampol, Noah

    2014-01-01

    To test young children’s false belief theory of mind in a morally relevant context, two experiments were conducted. In Experiment 1, children (N = 162) at 3.5, 5.5, and 7.5 years of age were administered 3 tasks: prototypic moral transgression task, false belief theory of mind task (ToM), and an “accidental transgressor” task, which measured a morally relevant false belief theory of mind (MoToM). Children who did not pass false belief ToM were more likely to attribute negative intentions to an accidental transgressor than children who passed false belief ToM, and to use moral reasons when blaming the accidental transgressor. In Experiment 2, children (N = 46) who did not pass false belief ToM viewed it as more acceptable to punish the accidental transgressor than did participants who passed false belief ToM. Findings are discussed in light of research on the emergence of moral judgment and theory of mind. PMID:21377148

  1. Stress-stress correlator in ϕ 4 theory: poles or a cut?

    NASA Astrophysics Data System (ADS)

    Moore, Guy D.

    2018-05-01

    We explore the analytical properties of the traceless stress tensor 2-point function at zero momentum and small frequency (relevant for shear viscosity and hydrodynamic response) in hot, weakly coupled λ ϕ 4 theory. We show that, rather than one or a small number of poles, the correlator has a cut along the negative imaginary frequency axis. We briefly discuss this result's relevance for constructing 2'nd order hydrodynamic models of hot relativistic field theories.

  2. TASI Lectures on Cosmological Observables and String Theory

    NASA Astrophysics Data System (ADS)

    Silverstein, Eva

    These lectures provide an updated pedagogical treatment of the theoretical structure and phenomenology of some basic mechanisms for inflation, along with an overview of the structure of cosmological uplifts of holographic duality. A full treatment of the problem requires `ultraviolet completion' because of the sensitivity of inflation to quantum gravity effects, including back reaction and non-adiabatic production of heavy degrees of freedom. Cosmological observations imply accelerated expansion of the late universe, and provide increasingly precise constraints and discovery potential on the amplitude and shape of primordial tensor and scalar perturbations, and some of their correlation functions. Most backgrounds of string theory have positive potential energy, with a rich but still highly constrained landscape of solutions. The theory contains novel mechanisms for inflation, some subject to significant observational tests, with highly UV-sensitive tensor mode measurements being a prime example along with certain shapes of primordial correlation functions. Although the detailed ultraviolet completion is not accessible experimentally, some of these mechanisms directly stimulate a more systematic analysis of the space of low energy theories and signatures relevant for analysis of data, which is sensitive to physics orders of magnitude above the energy scale of inflation as a result of long time evolution (dangerous irrelevance) and the substantial amount of data (allowing constraints on quantities with signal/noise. Portions of these lectures appeared previously in Les Houches 2013, "Post-Planck Cosmology".

  3. D term and the structure of pointlike and composed spin-0 particles

    NASA Astrophysics Data System (ADS)

    Hudson, Jonathan; Schweitzer, Peter

    2017-12-01

    This work deals with form factors of the energy-momentum tensor (EMT) of spin-0 particles and the unknown particle property D term related to the EMT, and it is divided into three parts. The first part explores free, weakly and strongly interacting theories to study EMT form factors with the following findings. (i) The free Klein-Gordon theory predicts for the D term D =-1 . (ii) Even infinitesimally small interactions can drastically impact D . (iii) In strongly interacting theories one can encounter large negative D though notable exceptions exist, which include Goldstone bosons of chiral symmetry breaking. (iv) Contrary to common belief one cannot arbitrarily add "total derivatives" to the EMT. Rather the EMT must be defined in an unambiguous way. The second part deals with the interpretation of the information content of EMT form factors in terms of 3D densities with the following results. (i) The 3D-density formalism is internally consistent. (ii) The description is subject to relativistic corrections but those are acceptably small in phenomenologically relevant situations including nucleons and nuclei. (iii) The free-field result D =-1 persists when a spin-0 boson is not pointlike but "heuristically given some internal structure." The third part investigates the question of whether such "giving of an extended structure" can be implemented dynamically, and it has the following insights. (i) We construct a consistent microscopic theory which, in a certain parametric limit, interpolates between extended and pointlike solutions. (ii) This theory is exactly solvable which is rare in 3 +1 dimensions, admits nontopological solitons of Q -ball type, and has a Gaussian field amplitude. (iii) The interaction of this theory belongs to a class of logarithmic potentials which were discussed in the literature, albeit in different contexts including beyond-standard-model phenomenology, cosmology, and Higgs physics.

  4. Fostering Personal Meaning and Self-Relevance: A Self-Determination Theory Perspective on Internalization

    ERIC Educational Resources Information Center

    Vansteenkiste, Maarten; Aelterman, Nathalie; De Muynck, Gert-Jan; Haerens, Leen; Patall, Erika; Reeve, Johnmarshall

    2018-01-01

    Central to self-determination theory (SDT) is the notion that autonomously motivated learning relates to greater learning benefits. While learners' intrinsic motivation has received substantial attention, learners also display volitional learning when they come to endorse the personal meaning or self-relevance of the learning task. In Part I of…

  5. Charge delocalization characteristics of regioregular high mobility polymers

    DOE PAGES

    Coughlin, J. E.; Zhugayevych, A.; Wang, M.; ...

    2017-01-01

    Controlling the regioregularity among the structural units of narrow bandgap conjugated polymer backbones has led to improvements in optoelectronic properties, for example in the mobilities observed in field effect transistor devices. To investigate how the regioregularity affects quantities relevant to hole transport, regioregular and regiorandom oligomers representative of polymeric structures were studied using density functional theory. Several structural and electronic characteristics of the oligomers were compared, including chain planarity, cation spin density, excess charges on molecular units and internal reorganizational energy. The main difference between the regioregular and regiorandom oligomers is found to be the conjugated backbone planarity, while themore » reorganizational energies calculated are quite similar across the molecular family. Lastly, this work constitutes the first step on understanding the complex interplay of atomistic changes and an oligomer backbone structure toward modeling the charge transport properties.« less

  6. Topological Classification of Crystalline Insulators through Band Structure Combinatorics

    NASA Astrophysics Data System (ADS)

    Kruthoff, Jorrit; de Boer, Jan; van Wezel, Jasper; Kane, Charles L.; Slager, Robert-Jan

    2017-10-01

    We present a method for efficiently enumerating all allowed, topologically distinct, electronic band structures within a given crystal structure in all physically relevant dimensions. The algorithm applies to crystals without time-reversal, particle-hole, chiral, or any other anticommuting or anti-unitary symmetries. The results presented match the mathematical structure underlying the topological classification of these crystals in terms of K -theory and therefore elucidate this abstract mathematical framework from a simple combinatorial perspective. Using a straightforward counting procedure, we classify all allowed topological phases of spinless particles in crystals in class A . Employing this classification, we study transitions between topological phases within class A that are driven by band inversions at high-symmetry points in the first Brillouin zone. This enables us to list all possible types of phase transitions within a given crystal structure and to identify whether or not they give rise to intermediate Weyl semimetallic phases.

  7. Ab initio structure prediction of silicon and germanium sulfides for lithium-ion battery materials

    NASA Astrophysics Data System (ADS)

    Hsueh, Connie; Mayo, Martin; Morris, Andrew J.

    Conventional experimental-based approaches to materials discovery, which can rely heavily on trial and error, are time-intensive and costly. We discuss approaches to coupling experimental and computational techniques in order to systematize, automate, and accelerate the process of materials discovery, which is of particular relevance to developing new battery materials. We use the ab initio random structure searching (AIRSS) method to conduct a systematic investigation of Si-S and Ge-S binary compounds in order to search for novel materials for lithium-ion battery (LIB) anodes. AIRSS is a high-throughput, density functional theory-based approach to structure prediction which has been successful at predicting the structures of LIBs containing sulfur and silicon and germanium. We propose a lithiation mechanism for Li-GeS2 anodes as well as report new, theoretically stable, layered and porous structures in the Si-S and Ge-S systems that pique experimental interest.

  8. Electronic structure of the chiral helimagnet and 3d-intercalated transition metal dichalcogenide Cr 1/3NbS 2

    DOE PAGES

    Sirca, N.; Mo, S. -K.; Bondino, F.; ...

    2016-08-18

    The electronic structure of the chiral helimagnet Cr 1/3NbS 2 has been studied with core level and angle-resolved photoemission spectroscopy (ARPES). Intercalated Cr atoms are found to be effective in donating electrons to the NbS 2 layers but also cause significant modifications of the electronic structure of the host NbS 2 material. Specifically, the data provide evidence that a description of the electronic structure of Cr 1/3NbS 2 on the basis of a simple rigid band picture is untenable. The data also reveal substantial inconsistencies with the predictions of standard density functional theory. In conclusion, the relevance of these resultsmore » to the attainment of a correct description of the electronic structure of chiral helimagnets, magnetic thin films/multilayers, and transition metal dichalcogenides intercalated with 3d magnetic elements is discussed.« less

  9. Motivation: An Updated Analysis. IDEA Paper #59

    ERIC Educational Resources Information Center

    Svinicki, Marilla D.

    2016-01-01

    Because instructors are very concerned about how to motivate their students, this paper describes some of the most prominent and practically relevant contemporary theories of motivation, specifically expectancy value theory, goal orientation theory, and self-determination theory. After describing each theory and its basic components, suggestions…

  10. Activity theory as a tool to address the problem of chemistry's lack of relevance in secondary school chemical education

    NASA Astrophysics Data System (ADS)

    van Aalsvoort, Joke

    In a previous article, the problem of chemistry's lack of relevance in secondary chemical education was analysed using logical positivism as a tool. This article starts with the hypothesis that the problem can be addressed by means of activity theory, one of the important theories within the sociocultural school. The reason for this expectation is that, while logical positivism creates a divide between science and society, activity theory offers a model of society in which science and society are related. With the use of this model, a new course for grade nine has been constructed. This results in a confirmation of the hypothesis, at least at a theoretical level. A comparison with the Salters' approach is made in order to demonstrate the relative merits of a mediated way of dealing with the problem of the lack of relevance of chemistry in chemical education.

  11. Explaining Consumer Safe Food Handling Through Behavior-Change Theories: A Systematic Review.

    PubMed

    Young, Ian; Reimer, Danielle; Greig, Judy; Meldrum, Richard; Turgeon, Patricia; Waddell, Lisa

    2017-11-01

    Consumers often engage in unsafe food handling behaviors at home. Previous studies have investigated the ability of behavior-change theories to explain and predict these behaviors. The purpose of this review was to determine which theories are most consistently associated with consumers' safe food handling behaviors across the published literature. A standardized systematic review methodology was used, consisting of the following steps: comprehensive search strategy; relevance screening of identified references; confirmation of relevance and characterization of relevant articles; risk-of-bias assessment; data extraction; and descriptive analysis of study results. A total of 20 relevant studies were identified; they were mostly conducted in Australia (40%) and the United States (35%) and used a cross-sectional design (65%). Most studies targeted young adults (65%), and none focused on high-risk consumer groups. The outcomes of 70% of studies received high overall risk-of-bias ratings, largely due to a lack of control for confounding variables. The most commonly applied theory was the Theory of Planned Behavior (45% of studies), which, along with other investigated theories of behavior change, was frequently associated with consumer safe food handling behavioral intentions and behaviors. However, overall, there was wide variation in the specific constructs found to be significantly associated and in the percentage of variance explained in each outcome across studies. The results suggest that multiple theories of behavior change can help to explain consumer safe food handling behaviors and could be adopted to guide the development of future behavior-change interventions. In these contexts, theories should be appropriately selected and adapted to meet the needs of the specific target population and context of interest.

  12. Quantum Electrodynamics in d=3 from the ε Expansion.

    PubMed

    Di Pietro, Lorenzo; Komargodski, Zohar; Shamir, Itamar; Stamou, Emmanuel

    2016-04-01

    We study quantum electrodynamics in d=3 coupled to N_{f} flavors of fermions. The theory flows to an IR fixed point for N_{f} larger than some critical number N_{f}^{c}. For N_{f}≤N_{f}^{c}, chiral-symmetry breaking is believed to take place. In analogy with the Wilson-Fisher description of the critical O(N) models in d=3, we make use of the existence of a fixed point in d=4-2ε to study the three-dimensional conformal theory. We compute, in perturbation theory, the IR dimensions of fermion bilinear and quadrilinear operators. For small N_{f}, a quadrilinear operator can become relevant in the IR and destabilize the fixed point. Therefore, the epsilon expansion can be used to estimate N_{f}^{c}. An interesting novelty compared to the O(N) models is that the theory in d=3 has an enhanced symmetry due to the structure of 3D spinors. We identify the operators in d=4-2ε that correspond to the additional conserved currents at d=3 and compute their infrared dimensions.

  13. Sleep, Memory & Brain Rhythms

    PubMed Central

    Watson, Brendon O.; Buzsáki, György

    2015-01-01

    Sleep occupies roughly one-third of our lives, yet the scientific community is still not entirely clear on its purpose or function. Existing data point most strongly to its role in memory and homeostasis: that sleep helps maintain basic brain functioning via a homeostatic mechanism that loosens connections between overworked synapses, and that sleep helps consolidate and re-form important memories. In this review, we will summarize these theories, but also focus on substantial new information regarding the relation of electrical brain rhythms to sleep. In particular, while REM sleep may contribute to the homeostatic weakening of overactive synapses, a prominent and transient oscillatory rhythm called “sharp-wave ripple” seems to allow for consolidation of behaviorally relevant memories across many structures of the brain. We propose that a theory of sleep involving the division of labor between two states of sleep–REM and non-REM, the latter of which has an abundance of ripple electrical activity–might allow for a fusion of the two main sleep theories. This theory then postulates that sleep performs a combination of consolidation and homeostasis that promotes optimal knowledge retention as well as optimal waking brain function. PMID:26097242

  14. Continuous Time in Consistent Histories

    NASA Astrophysics Data System (ADS)

    Savvidou, Konstantina

    1999-12-01

    We discuss the case of histories labelled by a continuous time parameter in the History Projection Operator consistent-histories quantum theory. We describe how the appropriate representation of the history algebra may be chosen by requiring the existence of projection operators that represent propositions about time averages of the energy. We define the action operator for the consistent histories formalism, as the quantum analogue of the classical action functional, for the simple harmonic oscillator case. We show that the action operator is the generator of two types of time transformations that may be related to the two laws of time-evolution of the standard quantum theory: the `state-vector reduction' and the unitary time-evolution. We construct the corresponding classical histories and demonstrate the relevance with the quantum histories; we demonstrate how the requirement of the temporal logic structure of the theory is sufficient for the definition of classical histories. Furthermore, we show the relation of the action operator to the decoherence functional which describes the dynamics of the system. Finally, the discussion is extended to give a preliminary account of quantum field theory in this approach to the consistent histories formalism.

  15. Sleep, Memory & Brain Rhythms.

    PubMed

    Watson, Brendon O; Buzsáki, György

    2015-01-01

    Sleep occupies roughly one-third of our lives, yet the scientific community is still not entirely clear on its purpose or function. Existing data point most strongly to its role in memory and homeostasis: that sleep helps maintain basic brain functioning via a homeostatic mechanism that loosens connections between overworked synapses, and that sleep helps consolidate and re-form important memories. In this review, we will summarize these theories, but also focus on substantial new information regarding the relation of electrical brain rhythms to sleep. In particular, while REM sleep may contribute to the homeostatic weakening of overactive synapses, a prominent and transient oscillatory rhythm called "sharp-wave ripple" seems to allow for consolidation of behaviorally relevant memories across many structures of the brain. We propose that a theory of sleep involving the division of labor between two states of sleep-REM and non-REM, the latter of which has an abundance of ripple electrical activity-might allow for a fusion of the two main sleep theories. This theory then postulates that sleep performs a combination of consolidation and homeostasis that promotes optimal knowledge retention as well as optimal waking brain function.

  16. A Future of Communication Theory: Systems Theory.

    ERIC Educational Resources Information Center

    Lindsey, Georg N.

    Concepts of general systems theory, cybernetics and the like may provide the methodology for communication theory to move from a level of technology to a level of pure science. It was the purpose of this paper to (1) demonstrate the necessity of applying systems theory to the construction of communication theory, (2) review relevant systems…

  17. Design and analysis of composite structures with stress concentrations

    NASA Technical Reports Server (NTRS)

    Garbo, S. P.

    1983-01-01

    An overview of an analytic procedure which can be used to provide comprehensive stress and strength analysis of composite structures with stress concentrations is given. The methodology provides designer/analysts with a user-oriented procedure which, within acceptable engineering accuracy, accounts for the effects of a wide range of application design variables. The procedure permits the strength of arbitrary laminate constructions under general bearing/bypass load conditions to be predicted with only unnotched unidirectional strength and stiffness input data required. Included is a brief discussion of the relevancy of this analysis to the design of primary aircraft structure; an overview of the analytic procedure with theory/test correlations; and an example of the use and interaction of this strength analysis relative to the design of high-load transfer bolted composite joints.

  18. Quasiparticle Scattering in Type-II Weyl semimetal MoTe2.

    PubMed

    Lin, Chun-Liang; Arafune, Ryuichi; Minamitani, Emi; Kawai, Maki; Takagi, Noriaki

    2018-01-30

    The electronic structure of type-II Weyl semimetal molybdenum ditelluride (MoTe<sub>2</sub>) is studied by using scanning tunneling microscopy and density functional theory calculations. Through measuring energy-dependent quasiparticle interference (QPI) patterns with a cryogenic scanning tunneling microscope, several characteristic features are found in the QPI patterns. Two of them arise from the Weyl semimetal nature; one is the topological Fermi arc surface state and the other can be assigned to be a Weyl point. The remaining structures are derived from the scatterings relevant to the bulk electronic states. The findings lead to thorough understanding of the topological electronic structure of type-II Weyl semimetal MoTe<sub>2</sub>. © 2018 IOP Publishing Ltd.

  19. The Frenkel Line: a direct experimental evidence for the new thermodynamic boundary

    DOE PAGES

    Bolmatov, Dima; Zhernenkov, Mikhail; Zav’yalov, Dmitry; ...

    2015-11-05

    We report that supercritical fluids play a significant role in elucidating fundamental aspects of liquid matter under extreme conditions. They have been extensively studied at pressures and temperatures relevant to various industrial applications. However, much less is known about the structural behaviour of supercritical fluids and no structural crossovers have been observed in static compression experiments in any temperature and pressure ranges beyond the critical point. The structure of supercritical state is currently perceived to be uniform everywhere on the pressure-temperature phase diagram, and to change only in a monotonic way even moving around the critical point, not only alongmore » isotherms or isobars. Conversely, we observe structural crossovers for the first time in a deeply supercritical sample through diffraction measurements in a diamond anvil cell and discover a new thermodynamic boundary on the pressure-temperature diagram. We explain the existence of these crossovers in the framework of the phonon theory of liquids using molecular dynamics simulations. The obtained results are of prime importance since they imply a global reconsideration of the mere essence of the supercritical phase. Furthermore, this discovery may pave the way to new unexpected applications and to the exploration of exotic behaviour of confined fluids relevant to geo- and planetary sciences.« less

  20. DFT investigation on the electronic structure of Faujasite

    NASA Astrophysics Data System (ADS)

    Popeneciu, Horea; Calborean, Adrian; Tudoran, Cristian; Buimaga-Iarinca, Luiza

    2013-11-01

    We report here first-principle pseudopotential DFT calculations to investigate relevant aspects of the electronic structure of zeolites based FAU. Fundamental molecular issues of the band-gap and electronic population analysis were reviewed under GGA/RPBE level of theory, corroborated with a DZP basis set and Troullier-Martins norm conserving pseudo-potentials. The atom-projected density of states and the analysis of HOMO-LUMO frontier orbitals at Gamma point were performed. Their electronic transfers are discussed through the alignment and relative positions of orbitals in order to determine the way that the molecule interacts with adsorbed molecules and other practical applications. Mulliken population analysis was employed for describing atomic charge distribution in the chosen systems.

  1. Protostar formation in the early universe.

    PubMed

    Yoshida, Naoki; Omukai, Kazuyuki; Hernquist, Lars

    2008-08-01

    The nature of the first generation of stars in the universe remains largely unknown. Observations imply the existence of massive primordial stars early in the history of the universe, and the standard theory for the growth of cosmic structure predicts that structures grow hierarchically through gravitational instability. We have developed an ab initio computer simulation of the formation of primordial stars that follows the relevant atomic and molecular processes in a primordial gas in an expanding universe. The results show that primeval density fluctuations left over from the Big Bang can drive the formation of a tiny protostar with a mass 1% that of the Sun. The protostar is a seed for the subsequent formation of a massive primordial star.

  2. Subcritical Transition in Channel Flows

    NASA Astrophysics Data System (ADS)

    Maestri, Joseph; Hall, Philip

    2014-11-01

    Exact-coherent structures, or colloquially non-linear solutions to the Navier-Stokes equations, have been the subject of great interest over the past decade due to their relevance in understanding the process of transition to turbulence in shear flows. Over the past few years the relationship between high Reynolds number vortex-wave interaction theory and such states has been elucidated in a number of papers and has provided a solid asymptotic framework to understand the so-called self-sustaining process that maintains such structures. In this talk, we will discuss this relationship before talking about recent work on solving the vortex-wave interaction equations using numerical techniques in order to propose laminar-flow control techniques.

  3. Nonlinear effective theory of dark energy

    NASA Astrophysics Data System (ADS)

    Cusin, Giulia; Lewandowski, Matthew; Vernizzi, Filippo

    2018-04-01

    We develop an approach to parametrize cosmological perturbations beyond linear order for general dark energy and modified gravity models characterized by a single scalar degree of freedom. We derive the full nonlinear action, focusing on Horndeski theories. In the quasi-static, non-relativistic limit, there are a total of six independent relevant operators, three of which start at nonlinear order. The new nonlinear couplings modify, beyond linear order, the generalized Poisson equation relating the Newtonian potential to the matter density contrast. We derive this equation up to cubic order in perturbations and, in a companion article [1], we apply it to compute the one-loop matter power spectrum. Within this approach, we also discuss the Vainshtein regime around spherical sources and the relation between the Vainshtein scale and the nonlinear scale for structure formation.

  4. Direct Laser Writing of Single-Material Sheets with Programmable Self-Rolling Capability

    NASA Astrophysics Data System (ADS)

    Bauhofer, Anton; KröDel, Sebastian; Bilal, Osama; Daraio, Chiara; Constantinescu, Andrei

    Direct laser writing, a sub-class of two-photon polymerization, facilitates 3D-printing of single-material microstructures with inherent residual stresses. Here we show that controlled distribution of these stresses allows for fast and cost-effective fabrication of structures with programmable self-rolling capability. We investigate 2D sheets that evolve into versatile 3D structures. Precise control over the shape morphing potential is acquired through variations in geometry and writing parameters. Effects of capillary action and gravity were shown to be relevant for very thin sheets (thickness <1.5um) and have been analytically and experimentally quantified. In contrast to that, the deformations of sheets with larger thickness (>1.5um) are dominated by residual stresses and adhesion forces. The presented structures create local tensions up to 180MPa, causing rolling curvatures of 25E3m-1. A comprehensive analytical model that captures the relevant influence factors was developed based on laminate plate theory. The predicted curvature and directionality correspond well with the experimentally obtained data. Potential applications are found in drug encapsulation and particle traps for emulsions with differing surface energies. This work was supported by the Swiss National Science Foundation.

  5. Culturally Relevant Pedagogy 2.0: a.k.a. the Remix

    ERIC Educational Resources Information Center

    Ladson-Billings, Gloria

    2014-01-01

    In this article, Ladson-Billings reflects on the history of her theory of culturally relevant pedagogy and the ways it has been used and misused since its inception. She argues for the importance of dynamic scholarship and suggests that it is time for a "remix" of her original theory: culturally sustaining pedagogy, as proposed by Paris…

  6. Relevance Theory and the Language of Advertising. CLS Occasional Paper No. 31.

    ERIC Educational Resources Information Center

    Byrne, Barbara

    Relevance theory, the premise that a hearer will make the effort to process a communication if he or she feels it will alter or enrich his/her cognitive environment, can be useful for increasing the effectiveness of advertising communication. It is particularly helpful for analyzing and improving the effectiveness of the creative devices often…

  7. The Implications of Nyerere's Theory of Education to Contemporary Education in Kenya

    ERIC Educational Resources Information Center

    Nasongo, Joseph W.; Musungu, Lydiah L.

    2009-01-01

    The question of relevance regarding education in human society is perennial. In the developing countries, education is considered to be a panacea for development. In Kenya, various efforts at curricular review and reform have time and again been undertaken to address the relevance of education. This paper attempts to analyze Nyerere's theory of…

  8. A relevance theory of induction.

    PubMed

    Medin, Douglas L; Coley, John D; Storms, Gert; Hayes, Brett K

    2003-09-01

    A framework theory, organized around the principle of relevance, is proposed for category-based reasoning. According to the relevance principle, people assume that premises are informative with respect to conclusions. This idea leads to the prediction that people will use causal scenarios and property reinforcement strategies in inductive reasoning. These predictions are contrasted with both existing models and normative logic. Judgments of argument strength were gathered in three different countries, and the results showed the importance of both causal scenarios and property reinforcement in category-based inferences. The relation between the relevance framework and existing models of category-based inductive reasoning is discussed in the light of these findings.

  9. Explaining the food safety behaviours of food handlers using theories of behaviour change: a systematic review.

    PubMed

    Young, Ian; Thaivalappil, Abhinand; Greig, Judy; Meldrum, Richard; Waddell, Lisa

    2018-06-01

    Theories of behaviour change can explain the factors affecting food handlers' use of food safety practices. A systematic review was conducted on this topic to identify which theories have been applied in this area and to determine which theories are the most consistent predictors of food handlers' behaviours. Standard systematic review procedures were followed: comprehensive search strategy; relevance screening of abstracts; article characterization; data extraction; risk-of-bias assessment; and descriptive analysis. Among 19 relevant studies, the most commonly investigated theories were the Theory of Planned Behaviour (n = 9 studies) and Health Belief Model (n = 5). All investigated theories were useful to explain food handlers' behavioural intentions and behaviours related to food safety across different settings, and could serve as useful frameworks for future research and practice. However, there was wide variability in the predictive ability of the theories and their specific constructs, indicating theories should be adapted to the local context of application.

  10. ``I Just Want The Credit!'' - Perceived Instrumentality as the Main Characteristic of Boys' Motivation in a Grade 11 Science Course

    NASA Astrophysics Data System (ADS)

    Nieswandt, Martina; Shanahan, Marie-Claire

    2008-01-01

    This case study examines the motivational structure of a group of male students ( n = 10) in a grade 11 General Science class at an independent single-sex school. We approach the concept of motivation through the integration of three different theoretical approaches: sociocultural theory, future time perspective and achievement goal theory. This framework allows us to stress the dialectical interdependence of motivation, as expressed through individual goals, and the socially and culturally influenced origins of these goals. Our results suggest that the boys internalised the administrative description of the course as meeting a diploma requirement, which they expressed in their perception of the course as being for “non-science” people who “just need a credit.” However, we also found situational changes in students’ motivational structure towards more intrinsic orientations when they were engaged in topics with personal everyday and future relevance. These situational changes in students’ goal structures illustrate that our participants did not internalise classroom and school goal messages wholly and, instead, selectively and constructively transformed these goal messages depending on their own motivational structure and beliefs. These results stress the importance of teachers scaffolding not only for conceptual learning but also for student motivation in science classes, especially those that purposefully teach towards scientific literacy.

  11. Experimental correlation of melt structures, nucleation rates, and thermal histories of silicate melts

    NASA Technical Reports Server (NTRS)

    Boynton, W. V.; DRAKE; HILDEBRAND; JONES; LEWIS; TREIMAN; WARK

    1987-01-01

    The theory and measurement of the structure of liquids is an important aspect of modern metallurgy and igneous petrology. Liquid structure exerts strong controls on both the types of crystals that may precipitate from melts and on the chemical composition of those crystals. An interesting aspect of melt structure studies is the problem of melt memories; that is, a melt can retain a memory of previous thermal history. This memory can influence both nucleation behavior and crystal composition. This melt memory may be characterized quantitatively with techniques such as Raman, infrared and NMR spectroscopy to provide information on short-range structure. Melt structure studies at high temperature will take advantage of the microgravity conditions of the Space Station to perform containerless experiments. Melt structure determinations at high temperature (experiments that are greatly facilitated by containerless technology) will provide invaluable information for materials science, glass technology, and geochemistry. In conjunction with studies of nucleation behavior and nucleation rates, information relevant to nucleation in magma chambers in terrestrial planets will be acquired.

  12. Three-body correlations and conditional forces in suspensions of active hard disks

    NASA Astrophysics Data System (ADS)

    Härtel, Andreas; Richard, David; Speck, Thomas

    2018-01-01

    Self-propelled Brownian particles show rich out-of-equilibrium physics, for instance, the motility-induced phase separation (MIPS). While decades of studying the structure of liquids have established a deep understanding of passive systems, not much is known about correlations in active suspensions. In this work we derive an approximate analytic theory for three-body correlations and forces in systems of active Brownian disks starting from the many-body Smoluchowski equation. We use our theory to predict the conditional forces that act on a tagged particle and their dependence on the propulsion speed of self-propelled disks. We identify preferred directions of these forces in relation to the direction of propulsion and the positions of the surrounding particles. We further relate our theory to the effective swimming speed of the active disks, which is relevant for the physics of MIPS. To test and validate our theory, we additionally run particle-resolved computer simulations, for which we explicitly calculate the three-body forces. In this context, we discuss the modeling of active Brownian swimmers with nearly hard interaction potentials. We find very good agreement between our simulations and numerical solutions of our theory, especially for the nonequilibrium pair-distribution function. For our analytical results, we carefully discuss their range of validity in the context of the different levels of approximation we applied. This discussion allows us to study the individual contribution of particles to three-body forces and to the emerging structure. Thus, our work sheds light on the collective behavior, provides the basis for further studies of correlations in active suspensions, and makes a step towards an emerging liquid state theory.

  13. Linking Mechanics and Statistics in Epidermal Tissues

    NASA Astrophysics Data System (ADS)

    Kim, Sangwoo; Hilgenfeldt, Sascha

    2015-03-01

    Disordered cellular structures, such as foams, polycrystals, or living tissues, can be characterized by quantitative measurements of domain size and topology. In recent work, we showed that correlations between size and topology in 2D systems are sensitive to the shape (eccentricity) of the individual domains: From a local model of neighbor relations, we derived an analytical justification for the famous empirical Lewis law, confirming the theory with experimental data from cucumber epidermal tissue. Here, we go beyond this purely geometrical model and identify mechanical properties of the tissue as the root cause for the domain eccentricity and thus the statistics of tissue structure. The simple model approach is based on the minimization of an interfacial energy functional. Simulations with Surface Evolver show that the domain statistics depend on a single mechanical parameter, while parameter fluctuations from cell to cell play an important role in simultaneously explaining the shape distribution of cells. The simulations are in excellent agreement with experiments and analytical theory, and establish a general link between the mechanical properties of a tissue and its structure. The model is relevant to diagnostic applications in a variety of animal and plant tissues.

  14. Cognitive theory in anorexia nervosa and bulimia nervosa: progress, development and future directions.

    PubMed

    Cooper, Myra J

    2005-06-01

    Important developments have taken place in cognitive theory of eating disorders (EDs) (and also in other disorders) since the review paper published by M.J. Cooper in 1997. The relevant empirical database has also expanded. Nevertheless, cognitive therapy for anorexia nervosa and bulimia nervosa, although helpful to many patients, leaves much to be desired. The current paper reviews the relevant empirical evidence collected, and the theoretical revisions that have been made to cognitive models of eating disorders, since 1997. The status and limitations of these developments are considered, including whether or not they meet the criteria for "good" theory. New theoretical developments relevant to cognitive explanations of eating disorders (second generation theories) are then presented, and the preliminary evidence that supports these is briefly reviewed. The lack of integration between cognitive theories of EDs and risk (vulnerability) factor research is noted, and a potential model that unites the two is noted. The implications of the review for future research and the development of cognitive theory in eating disorders are then discussed. These include the need for study of cognitive constructs not yet fully integrated (or indeed not yet applied clinically) into current theories and the need for cognitive theories of eating disorders to continue to evolve (as they have indeed done since 1997) in order to fully integrate such constructs. Treatment studies incorporating these new developments also urgently need to be undertaken.

  15. Simulation and Theory of Ions at Atmospherically Relevant Aqueous Liquid-Air Interfaces

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

    Tobias, Douglas J.; Stern, Abraham C.; Baer, Marcel D.

    2013-04-01

    Chemistry occurring at or near the surfaces of aqueous droplets and thin films in the atmosphere influences air quality and climate. Molecular dynamics simulations are becoming increasingly useful for gaining atomic-scale insight into the structure and reactivity of aqueous interfaces in the atmosphere. Here we review simulation studies of atmospherically relevant aqueous liquid-air interfaces, with an emphasis on ions that play important roles in the chemistry of atmospheric aerosols. In addition to surveying results from simulation studies, we discuss challenges to the refinement and experimental validation of the methodology for simulating ion adsorption to the air-water interface, and recent advancesmore » in elucidating the driving forces for adsorption. We also review the recent development of a dielectric continuum theory that is capable of reproducing simulation and experimental data on ion behavior at aqueous interfaces. MDB and CJM acknowledge support from the US Department of Energy's Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Pacific Northwest National Laboratory (PNNL) is operated for the Department of Energy by Battelle. MDB is supported by the Linus Pauling Distinguished Postdoctoral Fellowship Program at PNNL.« less

  16. Arithmetic and Hyperbolic Structures in String Theory

    NASA Astrophysics Data System (ADS)

    Persson, Daniel

    2010-01-01

    This monograph is an updated and extended version of the author's PhD thesis. It consists of an introductory text followed by two separate parts which are loosely related but may be read independently of each other. In Part I we analyze certain hyperbolic structures arising when studying gravity in the vicinity of a spacelike singularity (the "BKL-limit"). In this limit, spatial points decouple and the dynamics exhibits ultralocal behaviour which may be described in terms of a (possibly chaotic) hyperbolic billiard. In all supergravities arising as low-energy limits of string theory or M-theory, the billiard dynamics takes place within the fundamental Weyl chambers of certain hyperbolic Kac-Moody algebras, suggesting that these algebras generate hidden infinite-dimensional symmetries of the theory. Part II of the thesis is devoted to a study of how (U-)dualities in string theory provide powerful constraints on perturbative and non-perturbative quantum corrections. These dualities are described by certain arithmetic groups G(Z) which are conjectured to be preserved in the effective action. The exact couplings are given by automorphic forms on the double quotient G(Z)G/K. We discuss in detail various methods of constructing automorphic forms, with particular emphasis on non-holomorphic Eisenstein series. We provide detailed examples for the physically relevant cases of SL(2,Z) and SL(3,Z), for which we construct their respective Eisenstein series and compute their (non-abelian) Fourier expansions. We also show how these techniques can be applied to hypermultiplet moduli spaces in type II Calabi-Yau compactifications, and we provide a detailed analysis for the universal hypermultiplet.

  17. Using Queer Theory to Rethink Gender Equity in Early Childhood Education

    ERIC Educational Resources Information Center

    Blaise, Mindy; Taylor, Affrica

    2012-01-01

    Queer theory is a new theory about gender. It is relevant to early childhood educators who wish to find new ways of understanding and challenging persistent gender stereotypes. The theory links gender stereotypes to the norms of heterosexuality. It is definitely "not" a theory about gay and lesbian identity. Queer theory is "queer" because it…

  18. Molecular Modeling of Lipid Aggregates: Theory and Application

    NASA Astrophysics Data System (ADS)

    Fenner, Joel Stewart

    The ability of cell membranes to perform a wide variety of biological functions stems from the organization and composition of its molecular constituents. There are many engineering applications, such as liposome drug delivery carriers, whose functionality takes advantage of the structure to function relationship of lipid membranes. The fundamental understanding of the relationship between the thermodynamic behavior and structure of lipid membranes and the molecular properties of their lipid constituents is crucial to the successful design of lipid related applications. However, information about how the local microscopic composition of lipid membranes responds to the presence of proteins and nanomaterials is challenging given the intrinsic experimental and theoretical difficulties of studying such small-scale systems. The present work generalizes a self consistent mean field theory for the study of the thermodynamic and structural behavior of lipid bilayers as a function of its molecular composition and physicochemical environments. This novel molecular theory provides with the ability of performing systematic thermodynamic calculations at relatively low computational costs while considering a detailed molecular description of the system under study. The competition of all relevant molecular interactions, such as electrostatics, vdW and chemical equilibria, in the membrane system is described. The developed molecular theory is applied to study how the protonation state of pH-sensitive amphiphiles in a membrane system affects the membrane's morphology. The molecular theory results demonstrate that the protonation state of ionizable groups within amphiphilic membranes shows a highly complex non-monotonic dependence on bulk salt concentration and pH strength. This result suggests that information about the pKa of the molecules is not sufficient to predict the protonation state of the ionizable groups in the membrane system. The molecular theory is also applied to study how the presence of proteins or functionalized nanoparticles near a multicomponent membrane surface leads to changes in its local membrane composition. The results support an electrostatic dependent recruitment mechanism of oncogenic RhoA proteins to the cell membrane. Finally, the molecular theory results describe how nanoparticle functionality and/or membrane molecular composition can be tuned to enhance or suppress nanoparticle adsorption on to phospholipid membranes.

  19. Introduction to quantized LIE groups and algebras

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

    Tjin, T.

    1992-10-10

    In this paper, the authors give a self-contained introduction to the theory of quantum groups according to Drinfeld, highlighting the formal aspects as well as the applications to the Yang-Baxter equation and representation theory. Introductions to Hopf algebras, Poisson structures and deformation quantization are also provided. After defining Poisson Lie groups the authors study their relation to Lie bialgebras and the classical Yang-Baxter equation. Then the authors explain in detail the concept of quantization for them. As an example the quantization of sl[sub 2] is explicitly carried out. Next, the authors show how quantum groups are related to the Yang-Baxtermore » equation and how they can be used to solve it. Using the quantum double construction, the authors explicitly construct the universal R matrix for the quantum sl[sub 2] algebra. In the last section, the authors deduce all finite-dimensional irreducible representations for q a root of unity. The authors also give their tensor product decomposition (fusion rules), which is relevant to conformal field theory.« less

  20. Density functional theory calculations of the water interactions with ZrO2 nanoparticles Y2O3 doped

    NASA Astrophysics Data System (ADS)

    Subhoni, Mekhrdod; Kholmurodov, Kholmirzo; Doroshkevich, Aleksandr; Asgerov, Elmar; Yamamoto, Tomoyuki; Lyubchyk, Andrei; Almasan, Valer; Madadzada, Afag

    2018-03-01

    Development of a new electricity generation techniques is one of the most relevant tasks, especially nowadays under conditions of extreme growth in energy consumption. The exothermic heterogeneous electrochemical energy conversion to the electric energy through interaction of the ZrO2 based nanopowder system with atmospheric moisture is one of the ways of electric energy obtaining. The questions of conversion into the electric form of the energy of water molecules adsorption in 3 mol% Y2O3 doped ZrO2 nanopowder systems were investigated using the density functional theory calculations. The density functional theory calculations has been realized as in the Kohn-Sham formulation, where the exchange-correlation potential is approximated by a functional of the electronic density. The electronic density, total energy and band structure calculations are carried out using the all-electron, full potential, linear augmented plane wave method of the electronic density and related approximations, i.e. the local density, the generalized gradient and their hybrid approximations.

  1. Theory of chromatography of partially cyclic polymers: Tadpole-type and manacle-type macromolecules.

    PubMed

    Vakhrushev, Andrey V; Gorbunov, Alexei A

    2016-02-12

    A theory of chromatography is developed for partially cyclic polymers of tadpole- and manacle-shaped topological structures. We present exact equations for the distribution coefficient K at different adsorption interactions; simpler approximate formulae are also derived, relevant to the conditions of size-exclusion, adsorption, and critical chromatography. Theoretical chromatograms of heterogeneous partially cyclic polymers are simulated, and conditions for good separation by topology are predicted. According to the theory, an effective SEC-radius of tadpoles and manacles is mostly determined by the molar mass M, and by the linear-cyclic composition. In the interactive chromatography, the effect of molecular topology on the retention becomes significant. At the critical interaction point, partial dependences K(Mlin) and K(Mring) are qualitatively different: while being almost independent of Mlin, K increases with Mring. This behavior could be realized in critical chromatography-for separation of partially cyclic polymers by the number and molar mass of cyclic elements. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Interband magneto-spectroscopy in InSb square and parabolic quantum wells

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

    Kasturiarachchi, T.; Edirisooriya, M.; Mishima, T. D.

    We measure the magneto-optical absorption due to intersubband optical transitions between conduction and valence subband Landau levels in InSb square and parabolic quantum wells. InSb has the narrowest band gap (0.24 eV at low temperature) of the III–V semiconductors leading to a small effective mass (0.014 m{sub 0}) and a large g–factor (−51). As a result, the Landau level spacing is large at relatively small magnetic fields (<8 T), and one can observe spin-splitting of the Landau levels. We examine two structures: (i) a multiple-square-well structure and (ii) a structure containing multiple parabolic wells. The energies and intensities of the strongest featuresmore » are well explained by a modified Pidgeon-Brown model based on an 8-band k•p model that explicitly incorporates pseudomorphic strain. The strain is essential for obtaining agreement between theory and experiment. While modeling the square well is relatively straight-forward, the parabolic well consists of 43 different layers of various thickness to approximate a parabolic potential. Agreement between theory and experiment for the parabolic well validates the applicability of the model to complicated structures, which demonstrates the robustness of our model and confirms its relevance for developing electronic and spintronic devices that seek to exploit the properties of the InSb band structure.« less

  3. Pre-Service Teachers and Study Abroad: A Reflective, Experiential Sojourn to Increase Intercultural Competence and Translate the Experience into Culturally Relevant Pedagogy

    ERIC Educational Resources Information Center

    Roller, Kathleen Marie

    2012-01-01

    This study used a randomized experimental, mixed methods approach to examine whether a stand-apart course curriculum based on experiential learning theory, Developmental Model of Intercultural Sensitivity (DMIS) theory (Bennett, 1993) and culturally relevant pedagogy influenced students' intercultural competence within the context of a study…

  4. Investigating Students' Perceived Discipline Relevance Subsequent to Playing Educational Computer Games: A Personal Interest and Self-Determination Theory Approach

    ERIC Educational Resources Information Center

    Sorebo, Oystein; Haehre, Reidar

    2012-01-01

    The purpose of this study is to explain students' perceived relevance of playing an educational game as a means for development of discipline competence. Based on self-determination theory and the concept of personal interest, we propose that: Satisfying students' basic needs for competence, autonomy, and relatedness when playing educational games…

  5. A Draft Conceptual Framework of Relevant Theories to Inform Future Rigorous Research on Student Service-Learning Outcomes

    ERIC Educational Resources Information Center

    Whitley, Meredith A.

    2014-01-01

    While the quality and quantity of research on service-learning has increased considerably over the past 20 years, researchers as well as governmental and funding agencies have called for more rigor in service-learning research. One key variable in improving rigor is using relevant existing theories to improve the research. The purpose of this…

  6. Deliberate practice theory: relevance, effort, and inherent enjoyment of music practice.

    PubMed

    Hyllegard, Randy; Bories, Tamara L

    2008-10-01

    This study examined three assumptions of the theory of deliberate practice for practice playing music on an electronic keyboard. 40 undergraduate students, divided into two separate groups, practiced one of two music sequences and rated the relevance of practice for improving performance on the sequences, the amount of effort needed to learn the sequences, and the inherent enjoyment of practice sessions. Findings for each assumption were consistent with those suggested by theory but also showed that perceptions are affected by the amount of practice completed and performance of the skill.

  7. Effect of ammonia and methane adsorption on the electronic structure of undoped and Fe-doped 2D silica: a first-principles calculation

    NASA Astrophysics Data System (ADS)

    Chibisov, A. N.; Chibisova, M. A.

    2018-05-01

    Two-dimensional silicon oxide (2D SiO2) is a unique surface phase with interesting optical, structural and electronic properties. In this study, important novel results on the effect of Fe on the structural and electronic properties of 2D SiO2 during adsorption of CH4 and NH3 molecules are presented. Density functional theory calculations are used to investigate the interaction of CH4 and NH3 molecules with silica. The electronic structure and molecules adsorption energy are studied in detail for undoped and Fe-doped surfaces. The results show that adsorption of CH4 and NH3 molecules on the surface decreases the spin polarization of Fe/SiO2. The results are relevant to understanding the adsorption physics of 2D SiO2 for practical usage in modern nanoelectronic sensors for nanotechnology and optoelectronics.

  8. A core-halo pattern of entropy creation in gravitational collapse

    NASA Astrophysics Data System (ADS)

    Wren, Andrew J.

    2018-03-01

    This paper presents a kinetic theory model of gravitational collapse due to a small perturbation. Solving the relevant equations yields a pattern of entropy destruction in a spherical core around the perturbation, and entropy creation in a surrounding halo. This indicates collisional "de-relaxation" in the core, and collisional relaxation in the halo. Core-halo patterns are ubiquitous in the astrophysics of gravitational collapse, and are found here without any of the prior assumptions of such a pattern usually made in analytical models. Motivated by this analysis, the paper outlines a possible scheme for identifying structure formation in a set of observations or a simulation. This scheme involves a choice of coarse-graining scale appropriate to the structure under consideration, and might aid exploration of hierarchical structure formation, supplementing the usual density-based methods for highlighting astrophysical and cosmological structure at various scales.

  9. A top-down approach to crystal engineering of a racemic Δ2-isoxazoline.

    PubMed

    Lombardo, Giuseppe M; Rescifina, Antonio; Chiacchio, Ugo; Bacchi, Alessia; Punzo, Francesco

    2014-02-01

    The crystal structure of racemic dimethyl (4RS,5RS)-3-(4-nitrophenyl)-4,5-dihydroisoxazole-4,5-dicarboxylate, C13H12N2O7, has been determined by single-crystal X-ray diffraction. By analysing the degree of growth of the morphologically important crystal faces, a ranking of the most relevant non-covalent interactions determining the crystal structure can be inferred. The morphological information is considered with an approach opposite to the conventional one: instead of searching inside the structure for the potential key interactions and using them to calculate the crystal habit, the observed crystal morphology is used to define the preferential lines of growth of the crystal, and then this information is interpreted by means of density functional theory (DFT) calculations. Comparison with the X-ray structure confirms the validity of the strategy, thus suggesting this top-down approach to be a useful tool for crystal engineering.

  10. A core-halo pattern of entropy creation in gravitational collapse

    NASA Astrophysics Data System (ADS)

    Wren, Andrew J.

    2018-07-01

    This paper presents a kinetic theory model of gravitational collapse due to a small perturbation. Solving the relevant equations yields a pattern of entropy destruction in a spherical core around the perturbation, and entropy creation in a surrounding halo. This indicates collisional `de-relaxation' in the core, and collisional relaxation in the halo. Core-halo patterns are ubiquitous in the astrophysics of gravitational collapse and are found here without any of the prior assumptions of such a pattern usually made in analytical models. Motivated by this analysis, the paper outlines a possible scheme for identifying structure formation in a set of observations or a simulation. This scheme involves a choice of coarse-graining scale appropriate to the structure under consideration, and might aid exploration of hierarchical structure formation, supplementing the usual density-based methods for highlighting astrophysical and cosmological structure at various scales.

  11. Engineered unique elastic modes at a BaTiO 3/2x1-Ge(001) interface

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

    Kumah, D. P.; Dogan, M.; Ngai, J. H.

    Here, the strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2×1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO 3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO 3. While the complex crystal structure is predicted using first-principles theory, it is further shown that themore » details of the structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO 3 induced by the symmetry of forces exerted by the germanium substrate.« less

  12. Engineered Unique Elastic Modes at a BaTiO 3 / ( 2 × 1 ) - Ge ( 001 ) Interface

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

    Kumah, D. P.; Dogan, M.; Ngai, J. H.

    The strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2×1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO3. While the complex crystal structure is predicted using first-principles theory, it is further shown that the details of themore » structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO3 induced by the symmetry of forces exerted by the germanium substrate.« less

  13. Engineered unique elastic modes at a BaTiO 3/2x1-Ge(001) interface

    DOE PAGES

    Kumah, D. P.; Dogan, M.; Ngai, J. H.; ...

    2016-03-07

    Here, the strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2×1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO 3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO 3. While the complex crystal structure is predicted using first-principles theory, it is further shown that themore » details of the structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO 3 induced by the symmetry of forces exerted by the germanium substrate.« less

  14. Cognitive Theories of Autism

    ERIC Educational Resources Information Center

    Rajendran, Gnanathusharan; Mitchell, Peter

    2007-01-01

    This article considers three theories of autism: The Theory of Mind Deficit, Executive Dysfunction and the Weak Central Coherence accounts. It outlines each along with studies relevant to their emergence, their expansion, their limitations and their possible integration. Furthermore, consideration is given to any implication from the theories in…

  15. From Foucault to Freire through Facebook: Toward an Integrated Theory of mHealth

    ERIC Educational Resources Information Center

    Bull, Sheana; Ezeanochie, Nnamdi

    2016-01-01

    Objective: To document the integration of social science theory in literature on mHealth (mobile health) and consider opportunities for integration of classic theory, health communication theory, and social networking to generate a relevant theory for mHealth program design. Method: A secondary review of research syntheses and meta-analyses…

  16. Toward a New Theory for Selecting Instructional Visuals.

    ERIC Educational Resources Information Center

    Croft, Richard S.; Burton, John K.

    This paper provides a rationale for the selection of illustrations and visual aids for the classroom. The theories that describe the processing of visuals are dual coding theory and cue summation theory. Concept attainment theory offers a basis for selecting which cues are relevant for any learning task which includes a component of identification…

  17. Galilean generalized Robertson-Walker spacetimes: A new family of Galilean geometrical models

    NASA Astrophysics Data System (ADS)

    de la Fuente, Daniel; Rubio, Rafael M.

    2018-02-01

    We introduce a new family of Galilean spacetimes, the Galilean generalized Robertson-Walker spacetimes. This new family is relevant in the context of a generalized Newton-Cartan theory. We study its geometrical structure and analyse the completeness of its inextensible free falling observers. This sort of spacetimes constitutes the local geometric model of a much wider family of spacetimes admitting certain conformal symmetry. Moreover, we find some sufficient geometric conditions which guarantee a global splitting of a Galilean spacetime as a Galilean generalized Robertson-Walker spacetime.

  18. Toward a Unified Theory of Context Dependence.

    ERIC Educational Resources Information Center

    Hanna, Gerald S.; Oaster, Thomas R.

    1978-01-01

    Traces a major source of confusion in the literature on passage dependence and integrates the relevant concepts into a general theory of context dependence. Sample items and data illustrate practical applications of the theory. (AA)

  19. Relevance, Derogation and Permission

    NASA Astrophysics Data System (ADS)

    Stolpe, Audun

    We show that a recently developed theory of positive permission based on the notion of derogation is hampered by a triviality result that indicates a problem with the underlying full-meet contraction operation. We suggest a solution that presupposes a particular normal form for codes of norms, adapted from the theory of relevance through propositional letter sharing. We then establish a correspondence between contractions on sets of norms in input/output logic (derogations), and AGM-style contractions on sets of formulae, and use it as a bridge to migrate results on propositional relevance from the latter to the former idiom. Changing the concept accordingly we show that positive permission now incorporates a relevance requirement that wards off triviality.

  20. Trust Discovery in Online Communities

    ERIC Educational Resources Information Center

    Piorkowski, John

    2014-01-01

    This research aims to discover interpersonal trust in online communities. Two novel trust models are built to explain interpersonal trust in online communities drawing theories and models from multiple relevant areas, including organizational trust models, trust in virtual settings, speech act theory, identity theory, and common bond theory. In…

  1. The Personal Relevance of the Social Studies.

    ERIC Educational Resources Information Center

    VanSickle, Ronald L.

    1990-01-01

    Conceptualizes a personal-relevance framework derived from Ronald L. VanSickle's five areas of life integrated with four general motivating goals from Abraham Maslow's hierarchy of needs and Richard and Patricia Schmuck's social motivation theory. Illustrates ways to apply the personal relevance framework to make social studies more relevant to…

  2. INFORMATION-THEORETIC INEQUALITIES ON UNIMODULAR LIE GROUPS

    PubMed Central

    Chirikjian, Gregory S.

    2010-01-01

    Classical inequalities used in information theory such as those of de Bruijn, Fisher, Cramér, Rao, and Kullback carry over in a natural way from Euclidean space to unimodular Lie groups. These are groups that possess an integration measure that is simultaneously invariant under left and right shifts. All commutative groups are unimodular. And even in noncommutative cases unimodular Lie groups share many of the useful features of Euclidean space. The rotation and Euclidean motion groups, which are perhaps the most relevant Lie groups to problems in geometric mechanics, are unimodular, as are the unitary groups that play important roles in quantum computing. The extension of core information theoretic inequalities defined in the setting of Euclidean space to this broad class of Lie groups is potentially relevant to a number of problems relating to information gathering in mobile robotics, satellite attitude control, tomographic image reconstruction, biomolecular structure determination, and quantum information theory. In this paper, several definitions are extended from the Euclidean setting to that of Lie groups (including entropy and the Fisher information matrix), and inequalities analogous to those in classical information theory are derived and stated in the form of fifteen small theorems. In all such inequalities, addition of random variables is replaced with the group product, and the appropriate generalization of convolution of probability densities is employed. An example from the field of robotics demonstrates how several of these results can be applied to quantify the amount of information gained by pooling different sensory inputs. PMID:21113416

  3. Stability measures in arid ecosystems

    NASA Astrophysics Data System (ADS)

    Nosshi, M. I.; Brunsell, N. A.; Koerner, S.

    2015-12-01

    Stability, the capacity of ecosystems to persist in the face of change, has proven its relevance as a fundamental component of ecological theory. Here, we would like to explore meaningful and quantifiable metrics to define stability, with a focus on highly variable arid and semi-arid savanna ecosystems. Recognizing the importance of a characteristic timescale to any definition of stability, our metrics will be focused scales from annual to multi-annual, capturing different aspects of stability. Our three measures of stability, in increasing order of temporal scale, are: (1) Ecosystem resistance, quantified as the degree to which the system maintains its mean state in response to a perturbation (drought), based on inter-annual variability in Normalized Difference Vegetation Index (NDVI). (2) An optimization approach, relevant to arid systems with pulse dynamics, that models vegetation structure and function based on a trade off between the ability to respond to resource availability and avoid stress. (3) Community resilience, measured as species turnover rate (β diversity). Understanding the nature of stability in structurally-diverse arid ecosystems, which are highly variable, yields theoretical insight which has practical implications.

  4. Task-relevant output signals are sent from monkey dorsolateral prefrontal cortex to the superior colliculus during a visuospatial working memory task.

    PubMed

    Johnston, Kevin; Everling, Stefan

    2009-05-01

    Visuospatial working memory is one of the most extensively investigated functions of the dorsolateral prefrontal cortex (DLPFC). Theories of prefrontal cortical function have suggested that this area exerts cognitive control by modulating the activity of structures to which it is connected. Here, we used the oculomotor system as a model in which to characterize the output signals sent from the DLPFC to a target structure during a classical spatial working memory task. We recorded the activity of identified DLPFC-superior colliculus (SC) projection neurons while monkeys performed a memory-guided saccade task in which they were required to generate saccades toward remembered stimulus locations. DLPFC neurons sent signals related to all aspects of the task to the SC, some of which were spatially tuned. These data provide the first direct evidence that the DLPFC sends task-relevant information to the SC during a spatial working memory task, and further support a role for the DLPFC in the direct modulation of other brain areas.

  5. Thalamic Mechanisms in Language: A Reconsideration Based on Recent Findings and Concepts

    PubMed Central

    Crosson, Bruce

    2012-01-01

    Recent literature on thalamic aphasia and thalamic activity during neuroimaging is selectively reviewed followed by a consideration of recent anatomic and physiological findings regarding thalamic structure and functions. It is concluded that four related corticothalamic and/or thalamocortical mechanisms impact language processing: (1) selective engagement of task-relevant cortical areas in a heightened state of responsiveness in part through the nucleus reticularis (NR), (2) passing information from one cortical area to another through corticothalamo-cortical mechanisms, (3) sharpening the focus on task-relevant information through corticothalamo-cortical feedback mechanisms, and (4) selection of one language unit over another in the expression of a concept, accomplished in concert with basal ganglia loops. The relationship and interaction of these mechanisms is discussed and integrated with thalamic aphasia and neuroimaging data into a theory of thalamic functions in language. PMID:22831779

  6. Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene

    NASA Astrophysics Data System (ADS)

    Cudazzo, Pierluigi; Gatti, Matteo; Rubio, Angel

    2012-11-01

    By solving the first-principles many-body Bethe-Salpeter equation, we compare the optical properties of two prototype and technological relevant organic molecular crystals: picene and pentacene. Albeit very similar for the structural and electronic properties, picene and pentacene show remarkable differences in their optical spectra. While for pentacene the absorption onset is due to a charge-transfer exciton, in picene it is related to a strongly localized Frenkel exciton. The detailed comparison between the two materials allows us to discuss, on general grounds, how the interplay between the electronic band dispersion and the exchange electron-hole interaction plays a fundamental role in setting the nature of the exciton. It represents a clear example of the relevance of the competition between localization and delocalization in the description of two-particle electronic correlation.

  7. A new theory for X-ray diffraction.

    PubMed

    Fewster, Paul F

    2014-05-01

    This article proposes a new theory of X-ray scattering that has particular relevance to powder diffraction. The underlying concept of this theory is that the scattering from a crystal or crystallite is distributed throughout space: this leads to the effect that enhanced scatter can be observed at the `Bragg position' even if the `Bragg condition' is not satisfied. The scatter from a single crystal or crystallite, in any fixed orientation, has the fascinating property of contributing simultaneously to many `Bragg positions'. It also explains why diffraction peaks are obtained from samples with very few crystallites, which cannot be explained with the conventional theory. The intensity ratios for an Si powder sample are predicted with greater accuracy and the temperature factors are more realistic. Another consequence is that this new theory predicts a reliability in the intensity measurements which agrees much more closely with experimental observations compared to conventional theory that is based on `Bragg-type' scatter. The role of dynamical effects (extinction etc.) is discussed and how they are suppressed with diffuse scattering. An alternative explanation for the Lorentz factor is presented that is more general and based on the capture volume in diffraction space. This theory, when applied to the scattering from powders, will evaluate the full scattering profile, including peak widths and the `background'. The theory should provide an increased understanding of the reliability of powder diffraction measurements, and may also have wider implications for the analysis of powder diffraction data, by increasing the accuracy of intensities predicted from structural models.

  8. Transformational leadership: is this still relevant to clinical leaders?

    PubMed

    Lo, David; McKimm, Judy; Till, Alex

    2018-06-02

    Transformational leadership theory has been at the centre of health-care leadership research for the past three decades, has had a tangible influence on the evolution of NHS leadership development strategies, and is still evident in current frameworks. This article provides an overview of the key concepts and weaknesses of transformational leadership theory and discusses its relevance within the context of the NHS working environment.

  9. Exploring the feasibility of theory synthesis: A worked example in the field of health related risk-taking

    PubMed Central

    Pound, Pandora; Campbell, Rona

    2015-01-01

    The idea of synthesising theory is receiving attention within public health as part of a drive to design theoretically informed interventions. Theory synthesis is not a new idea, however, having been debated by sociologists for several decades. We consider the various methodological approaches to theory synthesis and test the feasibility of one such approach by synthesising a small number of sociological theories relevant to health related risk-taking. The synthesis consisted of three stages: (i) synthesis preparation, wherein parts of relevant theories were extracted and summarised; (ii) synthesis which involved comparing theories for points of convergence and divergence and bringing together those points that converge; and (iii) synthesis refinement whereby the synthesis was interrogated for further theoretical insights. Our synthesis suggests that serious and sustained risk-taking is associated with social isolation, liminality and a person's position in relation to the dominant social group. We reflect upon the methodological and philosophical issues raised by the practice of theory synthesis, concluding that it has the potential to reinvigorate theory and make it more robust and accessible for practical application. PMID:25461862

  10. Health visitor views on consultation using the Solihull approach: a grounded theory study.

    PubMed

    Stefanopoulou, Evgenia; Coker, Sian; Greenshields, Maria; Pratt, Richard

    2011-07-01

    Consultation is integral to maintaining competence for health professionals and involves a collaborative relationship between specialist and primary care services. Although consultation aims to support them in their work, existing literature exploring health visitors' experiences of consultation is limited. This study explored health visitors' experiences of consultation in relation to their clinical practice, their experience of their work and its impact on the wider service. In all, 10 health visitors were interviewed using a semi-structured guide and analysis was subjected to a grounded theory framework. Participants' views were influenced by a combination of factors--consultants' training specific to their role, their communication and engagement, consultation's support of joint-working and/or transitions, and its relevance to and impact upon practice. Findings suggest that such interface activities require effective co-ordination, communication and structuring strategies, highlighting the importance of future initiatives in developing health visitors' mental health role further. Given the comparative lack of evaluation of such activities, these findings may inform policy-making and service development to ensure high quality of service delivery.

  11. Matter Lagrangian of particles and fluids

    NASA Astrophysics Data System (ADS)

    Avelino, P. P.; Sousa, L.

    2018-03-01

    We consider a model where particles are described as localized concentrations of energy, with fixed rest mass and structure, which are not significantly affected by their self-induced gravitational field. We show that the volume average of the on-shell matter Lagrangian Lm describing such particles, in the proper frame, is equal to the volume average of the trace T of the energy-momentum tensor in the same frame, independently of the particle's structure and constitution. Since both Lm and T are scalars, and thus independent of the reference frame, this result is also applicable to collections of moving particles and, in particular, to those which can be described by a perfect fluid. Our results are expected to be particularly relevant in the case of modified theories of gravity with nonminimal coupling to matter where the matter Lagrangian appears explicitly in the equations of motion of the gravitational and matter fields, such as f (R ,Lm) and f (R ,T ) gravity. In particular, they indicate that, in this context, f (R ,Lm) theories may be regarded as a subclass of f (R ,T ) gravity.

  12. Contributions of treatment theory and enablement theory to rehabilitation research and practice.

    PubMed

    Whyte, John

    2014-01-01

    Scientific theory is crucial to the advancement of clinical research. The breadth of rehabilitation treatment requires that many different theoretical perspectives be incorporated into the design and testing of treatment interventions. In this article, the 2 broad classes of theory relevant to rehabilitation research and practice are defined, and their distinct but complementary contributions to research and clinical practice are explored. These theory classes are referred to as treatment theories (theories about how to effect change in clinical targets) and enablement theories (theories about how changes in a proximal clinical target will influence distal clinical aims). Treatment theories provide the tools for inducing clinical change but do not specify how far reaching the ultimate impact of the change will be. Enablement theories model the impact of changes on other areas of function but provide no insight as to how treatment can create functional change. Treatment theories are more critical in the early stages of treatment development, whereas enablement theories become increasingly relevant in specifying the clinical significance and practical effectiveness of more mature treatments. Understanding the differences in the questions these theory classes address and how to combine their insights is crucial for effective research development and clinical practice. Copyright © 2014 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.

  13. [Notes on childhood and theory: a Latin American approach].

    PubMed

    Bustelo Graffigna, Eduardo

    2012-12-01

    This work seeks to introduce and examine different historically relevant theories and propose certain frameworks that allow for the development of a Latin American theoretical approach based in a new discourse regarding childhood and adolescence. In order to undertake the creation of this Latin American approach, understanding the category of childhood as a social and historical construction, the work draws upon the contributions of structuralism (in particular, childhood as a permanent category, its relational dimension with regards to adulthood and its historical and intercultural dimension) and Foucault and Deleuze's concept of the society of control associated with the category of domination, an essential aspect of Latin American thought. The text was presented as a speech in the V World Congress for the Rights of Children and Adolescents held in San Juan, Argentina, from October 15-19, 2012.

  14. Incubation, Insight, and Creative Problem Solving: A Unified Theory and a Connectionist Model

    ERIC Educational Resources Information Center

    Helie, Sebastien; Sun, Ron

    2010-01-01

    This article proposes a unified framework for understanding creative problem solving, namely, the explicit-implicit interaction theory. This new theory of creative problem solving constitutes an attempt at providing a more unified explanation of relevant phenomena (in part by reinterpreting/integrating various fragmentary existing theories of…

  15. The Effects of Technical Illustrations on Cognitive Load.

    ERIC Educational Resources Information Center

    Purnell, Kenneth N.; And Others

    1992-01-01

    Outlines two theories of cognitive science that are relevant for instructional design, i.e., schema theory and cognitive load theory; and describes four experiments with Australian secondary school geography students that used these theories to examine the effects of splitting attention between technical illustrations and related text. (20…

  16. Advancing Empirical Scholarship to Further Develop Evaluation Theory and Practice

    ERIC Educational Resources Information Center

    Christie, Christina A.

    2011-01-01

    Good theory development is grounded in empirical inquiry. In the context of educational evaluation, the development of empirically grounded theory has important benefits for the field and the practitioner. In particular, a shift to empirically derived theory will assist in advancing more systematic and contextually relevant evaluation practice, as…

  17. The Relevance of Theories of the Policy Process to Educational Decision-Making.

    ERIC Educational Resources Information Center

    Ryan, R. J.

    1985-01-01

    Two case studies of educational decision making are used to test the utility of some current theories of the policy-formation process; a framework for the application of these theories is proposed; and the merits of applying existing theories before seeking new paradigms are stressed. (MSE)

  18. Toward a Theory of Psychological Type Congruence for Advertisers.

    ERIC Educational Resources Information Center

    McBride, Michael H.; And Others

    Focusing on the impact of advertisers' persuasive selling messages on consumers, this paper discusses topics relating to the theory of psychological type congruence. Based on an examination of persuasion theory and relevant psychological concepts, including recent cognitive stability and personality and needs theory and the older concept of…

  19. Puzzling the Picture Using Grounded Theory

    ERIC Educational Resources Information Center

    Bennett, Elisabeth E.

    2016-01-01

    Since the first publication by Glaser and Strauss in 1967, Grounded Theory has become a highly influential research approach in the social sciences. The approach provides techniques and coding strategies for building theory inductively from the "ground up" as concepts within the data earn relevance into an evolving substantive theory.…

  20. DFT investigation on the electronic structure of Faujasite

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

    Popeneciu, Horea; Calborean, Adrian; Tudoran, Cristian

    2013-11-13

    We report here first-principle pseudopotential DFT calculations to investigate relevant aspects of the electronic structure of zeolites based FAU. Fundamental molecular issues of the band-gap and electronic population analysis were reviewed under GGA/RPBE level of theory, corroborated with a DZP basis set and Troullier-Martins norm conserving pseudo-potentials. The atom-projected density of states and the analysis of HOMO-LUMO frontier orbitals at Gamma point were performed. Their electronic transfers are discussed through the alignment and relative positions of orbitals in order to determine the way that the molecule interacts with adsorbed molecules and other practical applications. Mulliken population analysis was employed formore » describing atomic charge distribution in the chosen systems.« less

  1. [Brain imaging in autism spectrum disorders. A review].

    PubMed

    Dziobek, I; Köhne, S

    2011-05-01

    In the past two decades, an increasing number of functional and structural brain imaging studies has provided insights into the neurobiological basis of autism spectrum disorders (ASD). This article summarizes pertinent functional brain imaging studies addressing the neuronal underpinnings of ASD symptomatology (impairments in social interaction and communication, repetitive and restrictive behavior) and associated neuropsychological deficits (theory of mind, executive functions, central coherence), complemented by relevant structural imaging findings. The results of these studies show that although cognitive functions in ASD are generally mediated by the same brain regions as in typically developed individuals, the degree and especially the patterns of brain activation often differ. Therefore, a hypothesis of aberrant network connectivity has increasingly been favored over one of focal brain dysfunction.

  2. Strong spin-orbit effects in transition metal oxides with tetrahedral coordination

    NASA Astrophysics Data System (ADS)

    Forte, Filomena; Guerra, Delia; Autieri, Carmine; Romano, Alfonso; Noce, Canio; Avella, Adolfo

    2018-05-01

    To prove that spin-orbit coupling can play a relevant role in determining the magnetic structure of transition metal oxides with tetrahedral coordination, we investigate the d1 Mott insulator KOsO4, combining density functional theory calculations and the exact diagonalization approach. We find that the interplay between crystal field, strong spin-orbit coupling, electronic correlations and structural distortions brings the system towards an antiferromagnetic phase, characterized by a non-vanishing orbital angular momentum and anisotropy among the in-plane and the out-of-plane antiferromagnetic correlations. We also show that, due to the peculiar interplay between spin-orbit coupling, Hund's coupling and hopping connectivity the system is on the verge of developing short range ferromagnetic correlations marked by strong directionality.

  3. Interfacial patterns in magnetorheological fluids: Azimuthal field-induced structures.

    PubMed

    Dias, Eduardo O; Lira, Sérgio A; Miranda, José A

    2015-08-01

    Despite their practical and academic relevance, studies of interfacial pattern formation in confined magnetorheological (MR) fluids have been largely overlooked in the literature. In this work, we present a contribution to this soft matter research topic and investigate the emergence of interfacial instabilities when an inviscid, initially circular bubble of a Newtonian fluid is surrounded by a MR fluid in a Hele-Shaw cell apparatus. An externally applied, in-plane azimuthal magnetic field produced by a current-carrying wire induces interfacial disturbances at the two-fluid interface, and pattern-forming structures arise. Linear stability analysis, weakly nonlinear theory, and a vortex sheet approach are used to access early linear and intermediate nonlinear time regimes, as well as to determine stationary interfacial shapes at fully nonlinear stages.

  4. Information Theory in Biology after 18 Years

    ERIC Educational Resources Information Center

    Johnson, Horton A.

    1970-01-01

    Reviews applications of information theory to biology, concluding that they have not proved very useful. Suggests modifications and extensions to increase the biological relevance of the theory, and speculates about applications in quantifying cell proliferation, chemical homeostasis and aging. (EB)

  5. Affective picture processing and motivational relevance: arousal and valence effects on ERPs in an oddball task.

    PubMed

    Briggs, Kate E; Martin, Frances H

    2009-06-01

    There are two dominant theories of affective picture processing; one that attention is more deeply engaged by motivationally relevant stimuli (i.e., stimuli that activate both the appetitive and aversive systems), and two that attention is more deeply engaged by aversive stimuli described as the negativity bias. In order to identify the theory that can best account for affective picture processing, event-related potentials (ERPs) were recorded from 34 participants during a modified oddball paradigm in which levels of stimulus valence, arousal, and motivational relevance were systematically varied. Results were partially consistent with motivated attention models of emotional perception, as P3b amplitude was enhanced in response to highly arousing and motivationally relevant sexual and unpleasant stimuli compared to respective low arousing and less motivationally relevant stimuli. However P3b amplitudes were significantly larger in response to the highly arousing sexual stimuli compared to all other affective stimuli, which is not consistent with either dominant theory. The current study therefore highlights the need for a revised model of affective picture processing and provides a platform for further research investigating the independent effects of sexual arousal on cognitive processing.

  6. PREFACE: Gauge-string duality and integrability: progress and outlook Gauge-string duality and integrability: progress and outlook

    NASA Astrophysics Data System (ADS)

    Kristjansen, C.; Staudacher, M.; Tseytlin, A.

    2009-06-01

    The AdS/CFT correspondence, proposed a little more than a decade ago, has become a major subject of contemporary theoretical physics. One reason is that it suggests the exact identity of a certain ten-dimensional superstring theory, and a specific supersymmetric four-dimensional gauge field theory. This indicates that string theory, often thought of as a generalization of quantum field theory, can also lead to an alternative and computationally advantageous reformulation of gauge theory. This establishes the direct, down-to-earth relevance of string theory beyond loftier ideas of finding a theory of everything. Put differently, strings definitely lead to a theory of something highly relevant: a non-abelian gauge theory in a physical number of dimensions! A second reason for recent excitement around AdS/CFT is that it uncovers surprising novel connections between otherwise increasingly separate subdisciplines of theoretical physics, such as high energy physics and condensed matter theory. This collection of review articles concerns precisely such a link. About six years ago evidence was discovered showing that the AdS/CFT string/gauge system might actually be an exactly integrable model, at least in the so-called planar limit. Its spectrum appears to be described by (a generalization of) a Bethe ansatz, first proposed as an exact solution for certain one-dimensional magnetic spin chains in the early days of quantum mechanics. The field has been developing very rapidly, and a collection of fine review articles is needed. This special issue is striving to provide precisely that. The first article of the present collection, by Nick Dorey, is a pedagogical introduction to the subject. The second article, by Adam Rej, based on the translation of the author's PhD thesis, describes important techniques for analysing and interpreting the integrable structure of AdS/CFT, mostly from the point of view of the gauge theory. The third contribution, by Gleb Arutyunov and Sergey Frolov, explains in great detail the state-of-the-art of quantizing the AdS5 × S5 string theory's sigma model, gathering evidence for the conjectured integrability from the string side of the correspondence. The ensuing article by Nikolay Gromov starts with the full set of conjectured asymptotic Bethe equations of the model, and indicates how they relate to the firmly established classical integrabiliity of the string sigma model. The article by Benjamin Basso and Gregory Korchemsky discusses the issue of non-perturbative corrections in strong-coupling expansion and connections to the O(6) sigma model. The final article, by Fernando Alday, provides a link between the main topic of this special issue—the integrability of the spectrum of AdS/CFT—and other important observables of the model, such as the set of gluon scattering amplitudes, which may also lead to an exactly solvable problem. We feel that the whole subject of AdS/CFT integrability is still in its infancy, and that much remains to be understood, proved, and extended. It is furthermore quite possible that the underlying structures will prove important for progress on cutting-edge problems in condensed matter theory. This collection of articles by experts in the field should serve as an important assessment of the incomplete status quo of the subject. As such, we hope it will inspire further research activity by ambitious theorists!

  7. Gerbes, M5-Brane Anomalies and E8 Gauge Theory

    NASA Astrophysics Data System (ADS)

    Aschieri, Paolo; Jurco, Branislav

    2004-10-01

    Abelian gerbes and twisted bundles describe the topology of the NS 3-form gauge field strength H. We review how they have been usefully applied to study and resolve global anomalies in open string theory. Abelian 2-gerbes and twisted nonabelian gerbes describe the topology of the 4-form field strength G of M-theory. We show that twisted nonabelian gerbes are relevant in the study and resolution of global anomalies of multiple coinciding M5-branes. Global anomalies for one M5-brane have been studied by Witten and by Diaconescu, Freed and Moore. The structure and the differential geometry of twisted nonabelian gerbes (i.e. modules for 2-gerbes) is defined and studied. The nonabelian 2-form gauge potential living on multiple coinciding M5-branes arises as curving (curvature) of twisted nonabelian gerbes. The nonabelian group is in general tilde OmegaE8, the central extension of the E8 loop group. The twist is in general necessary to cancel global anomalies due to the nontriviality of the 11-dimensional 4-form field strength G and due to the possible torsion present in the cycles the M5-branes wrap. Our description of M5-branes global anomalies leads to the D4-branes one upon compactification of M-theory to Type IIA theory.

  8. Theory-Driven Intervention for Changing Personality: Expectancy Value Theory, Behavioral Activation, and Conscientiousness

    PubMed Central

    Magidson, Jessica F.; Roberts, Brent; Collado-Rodriguez, Anahi; Lejuez, C.W.

    2013-01-01

    Considerable evidence suggests that personality traits may be changeable, raising the possibility that personality traits most linked to health problems can be modified with intervention. A growing body of research suggests that problematic personality traits may be altered with behavioral intervention using a bottom-approach. That is, by targeting core behaviors that underlie personality traits with the goal of engendering new, healthier patterns of behavior that over time become automatized and manifest in changes in personality traits. Nevertheless, a bottom-up model for changing personality traits is somewhat diffuse and requires clearer integration of theory and relevant interventions to enable real clinical application. As such, this manuscript proposes a set of guiding principles for theory-driven modification of targeted personality traits using a bottom-up approach, focusing specifically on targeting the trait of conscientiousness using a relevant behavioral intervention, Behavioral Activation (BA), considered within the motivational framework of Expectancy Value Theory (EVT). We conclude with a real case example of the application of BA to alter behaviors counter to conscientiousness in a substance dependent patient, highlighting the EVT principles most relevant to the approach and the importance and viability of a theoretically-driven, bottom-up approach to changing personality traits. PMID:23106844

  9. Structure of Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition Criteria for Obsessive–Compulsive Personality Disorder in Patients With Binge Eating Disorder

    PubMed Central

    Ansell, Emily B; Pinto, Anthony; Edelen, Maria Orlando; Grilo, Carlos M

    2013-01-01

    Objective To examine 1-, 2-, and 3-factor model structures through confirmatory analytic procedures for Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition (DSM-IV) obsessive–compulsive personality disorder (OCPD) criteria in patients with binge eating disorder (BED). Method Participants were consecutive outpatients (n = 263) with binge eating disorder and were assessed with semi-structured interviews. The 8 OCPD criteria were submitted to confirmatory factor analyses in Mplus Version 4.2 (Los Angeles, CA) in which previously identified factor models of OCPD were compared for fit, theoretical relevance, and parsimony. Nested models were compared for significant improvements in model fit. Results Evaluation of indices of fit in combination with theoretical considerations suggest a multifactorial model is a significant improvement in fit over the current DSM-IV single-factor model of OCPD. Though the data support both 2- and 3-factor models, the 3-factor model is hindered by an underspecified third factor. Conclusion A multifactorial model of OCPD incorporating the factors perfectionism and rigidity represents the best compromise of fit and theory in modelling the structure of OCPD in patients with BED. A third factor representing miserliness may be relevant in BED populations but needs further development. The perfectionism and rigidity factors may represent distinct intrapersonal and interpersonal attempts at control and may have implications for the assessment of OCPD. PMID:19087485

  10. Structure of diagnostic and statistical manual of mental disorders, fourth edition criteria for obsessive-compulsive personality disorder in patients with binge eating disorder.

    PubMed

    Ansell, Emily B; Pinto, Anthony; Edelen, Maria Orlando; Grilo, Carlos M

    2008-12-01

    To examine 1-, 2-, and 3-factor model structures through confirmatory analytic procedures for Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition (DSM-IV) obsessive-compulsive personality disorder (OCPD) criteria in patients with binge eating disorder (BED). Participants were consecutive outpatients (n = 263) with binge eating disorder and were assessed with semi-structured interviews. The 8 OCPD criteria were submitted to confirmatory factor analyses in Mplus Version 4.2 (Los Angeles, CA) in which previously identified factor models of OCPD were compared for fit, theoretical relevance, and parsimony. Nested models were compared for significant improvements in model fit. Evaluation of indices of fit in combination with theoretical considerations suggest a multifactorial model is a significant improvement in fit over the current DSM-IV single- factor model of OCPD. Though the data support both 2- and 3-factor models, the 3-factor model is hindered by an underspecified third factor. A multifactorial model of OCPD incorporating the factors perfectionism and rigidity represents the best compromise of fit and theory in modelling the structure of OCPD in patients with BED. A third factor representing miserliness may be relevant in BED populations but needs further development. The perfectionism and rigidity factors may represent distinct intrapersonal and interpersonal attempts at control and may have implications for the assessment of OCPD.

  11. Elucidating the electronic structure of supported gold nanoparticles and its relevance to catalysis by means of hard X-ray photoelectron spectroscopy

    DOE PAGES

    Reinecke, Benjamin N.; Kuhl, Kendra P.; Ogasawara, Hirohito; ...

    2015-12-31

    We report on the electronic structure of Au (gold) nanoparticles supported onto TiO 2 with a goal of elucidating the most important effects that contribute to their high catalytic activity. We synthesize and characterize with high resolution transmission electron microscopy (HRTEM) 3.4, 5.3, and 9.5 nm diameter TiO 2-supported Au nanoparticles with nearly spherical shape and measure their valence band using Au 5d subshell sensitive hard X-ray photoelectron spectroscopy (HAXPES) conducted at Spring-8. Based on density functional theory (DFT) calculations of various Au surface structures, we interpret the observed changes in the Au 5d valence band structure as a functionmore » of size in terms of an increasing percentage of Au atoms at corners/edges for decreasing particle size. Finally, this work elucidates how Au coordination number impacts the electronic structure of Au nanoparticles, ultimately giving rise to their well-known catalytic activity.« less

  12. Physician communication in the operating room: expanding application of face-negotiation theory to the health communication context.

    PubMed

    Kirschbaum, Kristin

    2012-01-01

    Communication variables that are associated with face-negotiation theory were examined in a sample of operating-room physicians. A survey was administered to anesthesiologists and surgeons at a teaching hospital in the southwestern United States to measure three variables commonly associated with face-negotiation theory: conflict-management style, face concern, and self-construal. The survey instrument that was administered to physicians includes items that measured these three variables in previous face-negotiation research with slight modification of item wording for relevance in the medical setting. The physician data were analyzed using confirmatory factor analysis, Pearson's correlations, and t-tests. Results of this initial investigation showed that variables associated with face-negotiation theory were evident in the sample physician population. In addition, the correlations were similar among variables in the medical sample as those found in previous face-negotiation research. Finally, t-tests suggest variance between anesthesiologists and surgeons on specific communication variables. These findings suggest three implications that warrant further investigation with expanded sample size: (1) An intercultural communication theory and instrument can be utilized for health communication research; (2) as applied in a medical context, face-negotiation theory can be expanded beyond traditional intercultural communication boundaries; and (3) theoretically based communication structures applied in a medical context could help explain physician miscommunication in the operating room to assist future design of communication training programs for operating-room physicians.

  13. The cell monolayer trajectory from the system state point of view.

    PubMed

    Stys, Dalibor; Vanek, Jan; Nahlik, Tomas; Urban, Jan; Cisar, Petr

    2011-10-01

    Time-lapse microscopic movies are being increasingly utilized for understanding the derivation of cell states and predicting cell future. Often, fluorescence and other types of labeling are not available or desirable, and cell state-definitions based on observable structures must be used. We present the methodology for cell behavior recognition and prediction based on the short term cell recurrent behavior analysis. This approach has theoretical justification in non-linear dynamics theory. The methodology is based on the general stochastic systems theory which allows us to define the cell states, trajectory and the system itself. We introduce the usage of a novel image content descriptor based on information contribution (gain) by each image point for the cell state characterization as the first step. The linkage between the method and the general system theory is presented as a general frame for cell behavior interpretation. We also discuss extended cell description, system theory and methodology for future development. This methodology may be used for many practical purposes, ranging from advanced, medically relevant, precise cell culture diagnostics to very utilitarian cell recognition in a noisy or uneven image background. In addition, the results are theoretically justified.

  14. [From inside to outside? Blind alleys in the discussion of psychoanalysis and society].

    PubMed

    Reiche, R

    1995-03-01

    The attempt first instituted by Freud to use the instruments of psychoanalysis to improve understanding not only of the individual but also of society as a whole has a long tradition, particularly in Germany. Reviewing the last thirty years of discourse on the range of the applicability of psychoanalysis in this context, the author comes to the conclusion that the fruits of this discussion are negligible. Reiche distinguishes five major lines of discourse to illustrate this failure to establish the relevance of a psychoanalytic approach to illuminating the "out-side" world: the first is one of assimilation and desiccation, reference here being to psychoanalytic culture critique; the second a pathological reaction of collective grieving bound up with the Critical Theory; the third the aggressive rebuffs levelled at psychoanalytic insights by systems theory; the fourth a line of devaluation and usurpation as represented by post-structuralism and deconstructionism. In the fifth and final strand of psychoanalytic application discourse discernible in the theory of communicative action, the author discerns a tentative new rapprochement between sociology and psychoanalysis. The author's final conclusion is that psychoanalysis is suitable for the perspective on the inside world, while the outside world is beyond the scope of psychoanalytic theory.

  15. Unsupervised Learning and Pattern Recognition of Biological Data Structures with Density Functional Theory and Machine Learning.

    PubMed

    Chen, Chien-Chang; Juan, Hung-Hui; Tsai, Meng-Yuan; Lu, Henry Horng-Shing

    2018-01-11

    By introducing the methods of machine learning into the density functional theory, we made a detour for the construction of the most probable density function, which can be estimated by learning relevant features from the system of interest. Using the properties of universal functional, the vital core of density functional theory, the most probable cluster numbers and the corresponding cluster boundaries in a studying system can be simultaneously and automatically determined and the plausibility is erected on the Hohenberg-Kohn theorems. For the method validation and pragmatic applications, interdisciplinary problems from physical to biological systems were enumerated. The amalgamation of uncharged atomic clusters validated the unsupervised searching process of the cluster numbers and the corresponding cluster boundaries were exhibited likewise. High accurate clustering results of the Fisher's iris dataset showed the feasibility and the flexibility of the proposed scheme. Brain tumor detections from low-dimensional magnetic resonance imaging datasets and segmentations of high-dimensional neural network imageries in the Brainbow system were also used to inspect the method practicality. The experimental results exhibit the successful connection between the physical theory and the machine learning methods and will benefit the clinical diagnoses.

  16. Theory to Practice: The Elusive Marriage.

    ERIC Educational Resources Information Center

    Shepherd, Paul L.

    1982-01-01

    Investigates the development of gerontological knowledge and its translation to practice. Discusses design, relevance, and dissemination of theory, and offers suggestions to practitioners for implementing research theories. Encourages both researchers and practitioners to make attitudinal changes to eliminate communication barriers. (University of…

  17. Strategic Tutor Monitoring.

    ERIC Educational Resources Information Center

    Chee-kwong, Kenneth Chao

    1996-01-01

    Discusses effective tutor monitoring strategies based on experiences at the Open Learning Institute of Hong Kong. Highlights include key performance and strategic control points; situational factors, including tutor expectations and relevant culture; Theory X versus Theory Y leadership theories; and monitoring relationships with tutors. (LRW)

  18. Social Science Theories on Adolescent Risk-Taking: The Relevance of Behavioral Inhibition and Activation

    ERIC Educational Resources Information Center

    Vermeersch, Hans; T'Sjoen, Guy; Kaufman, Jean-Marc; Van Houtte, Mieke

    2013-01-01

    The major social science theories on adolescent risk-taking--strain, social control, and differential association theories--have received substantial empirical support. The relationships between variables central to these theories and individual differences in temperament related to risk-taking, however, have not been adequately studied. In a…

  19. ERP Reliability Analysis (ERA) Toolbox: An open-source toolbox for analyzing the reliability of event-related brain potentials.

    PubMed

    Clayson, Peter E; Miller, Gregory A

    2017-01-01

    Generalizability theory (G theory) provides a flexible, multifaceted approach to estimating score reliability. G theory's approach to estimating score reliability has important advantages over classical test theory that are relevant for research using event-related brain potentials (ERPs). For example, G theory does not require parallel forms (i.e., equal means, variances, and covariances), can handle unbalanced designs, and provides a single reliability estimate for designs with multiple sources of error. This monograph provides a detailed description of the conceptual framework of G theory using examples relevant to ERP researchers, presents the algorithms needed to estimate ERP score reliability, and provides a detailed walkthrough of newly-developed software, the ERP Reliability Analysis (ERA) Toolbox, that calculates score reliability using G theory. The ERA Toolbox is open-source, Matlab software that uses G theory to estimate the contribution of the number of trials retained for averaging, group, and/or event types on ERP score reliability. The toolbox facilitates the rigorous evaluation of psychometric properties of ERP scores recommended elsewhere in this special issue. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. The 'body-container': a new perspective on the 'body-ego'.

    PubMed

    Pollak, Tamar

    2009-06-01

    Psychoanalytic theory and practice tend to focus on metaphorical and symbolic mental representations in a way that often pushes aside the importance of a bodily 'presence' possessing qualities that can not and should not be subordinated to the representational structure. By introducing the 'body-container' model, this paper reintroduces the concrete physical body into the psychoanalytic discourse in a more direct way. This clinical-theoretical model links the 'body-ego' (Freud, 1923) to the container idea (Bion, 1962) aiming to creates a new integrative psyche-soma scheme. The 'body-container' experience is available as a subjective realization through a priori psycho-physical forms structured as an envelope and a central vertical axis. These forms are the outcome of our given bodily structure experienced under the 'magnetic' force of object relation. The mental envelope is already discussed in psychoanalytic theory (Anzieu, 1989, 1990; Bick, 1968) and I wish to introduce the characteristics of the vertical axis which I call 'the frontal spine', emphasizing its constitutional reciprocity with the skin envelope. The proposed model offers new insights into the psycho-physical organization in primitive mental states and may contribute to the understanding of the complementary structural relation between embodied and represented in human experience. Two clinical examples illustrate the therapeutic work relevant to disturbances in the primal psycho-physical space organization at different developmental levels.

  1. Academic Primer Series: Eight Key Papers about Education Theory.

    PubMed

    Gottlieb, Michael; Boysen-Osborn, Megan; Chan, Teresa M; Krzyzaniak, Sara M; Pineda, Nicolas; Spector, Jordan; Sherbino, Jonathan

    2017-02-01

    Many teachers adopt instructional methods based on assumptions of best practices without attention to or knowledge of supporting education theory. Familiarity with a variety of theories informs education that is efficient, strategic, and evidence-based. As part of the Academic Life in Emergency Medicine Faculty Incubator Program, a list of key education theories for junior faculty was developed. A list of key papers on theories relevant to medical education was generated using an expert panel, a virtual community of practice synthetic discussion, and a social media call for resources. A three-round, Delphi-informed voting methodology including novice and expert educators produced a rank order of the top papers. These educators identified 34 unique papers. Eleven papers described the general use of education theory, while 23 papers focused on a specific theory. The top three papers on general education theories and top five papers on specific education theory were selected and summarized. The relevance of each paper for junior faculty and faculty developers is also presented. This paper presents a reading list of key papers for junior faculty in medical education roles. Three papers about general education theories and five papers about specific educational theories are identified and annotated. These papers may help provide foundational knowledge in education theory to inform junior faculty teaching practice.

  2. Academic Primer Series: Eight Key Papers about Education Theory

    PubMed Central

    Gottlieb, Michael; Boysen-Osborn, Megan; Chan, Teresa M.; Krzyzaniak, Sara M.; Pineda, Nicolas; Spector, Jordan; Sherbino, Jonathan

    2017-01-01

    Introduction Many teachers adopt instructional methods based on assumptions of best practices without attention to or knowledge of supporting education theory. Familiarity with a variety of theories informs education that is efficient, strategic, and evidence-based. As part of the Academic Life in Emergency Medicine Faculty Incubator Program, a list of key education theories for junior faculty was developed. Methods A list of key papers on theories relevant to medical education was generated using an expert panel, a virtual community of practice synthetic discussion, and a social media call for resources. A three-round, Delphi-informed voting methodology including novice and expert educators produced a rank order of the top papers. Results These educators identified 34 unique papers. Eleven papers described the general use of education theory, while 23 papers focused on a specific theory. The top three papers on general education theories and top five papers on specific education theory were selected and summarized. The relevance of each paper for junior faculty and faculty developers is also presented. Conclusion This paper presents a reading list of key papers for junior faculty in medical education roles. Three papers about general education theories and five papers about specific educational theories are identified and annotated. These papers may help provide foundational knowledge in education theory to inform junior faculty teaching practice. PMID:28210367

  3. Structure and Stoichiometry in Supervalent Doped Li 7La 3 Zr 2O 12

    DOE PAGES

    Mukhopadhyay, Saikat; Thompson, Travis; Sakamoto, Jeff; ...

    2015-04-20

    The oxide garnet material Li 7La 3 Zr 2O 12 shows remarkably high ionic conductivity when doped with supervalent ions that are charge compensated by Li vacancies and is currently one of the best candidates for development of a technologically relevant solid electrolyte. Determination of optimal dopant concentration, however, has remained a persistent problem due to the extreme difficulty of establishing the actual (as compared to nominal) stoichiometry of intentionally doped materials and by the fact that it is still not entirely clear what level of lattice expansion/contraction best promotes. ionic diffusion. By combining careful synthesis, neutron diffraction, high-resolution X-raymore » diffraction (XRD), Raman measurements, and density functional theory calculations, we show that structure and stoichiometry are intimately related such that the former can in many cases be used as a gauge of the latter. We show that different Li-vacancy creating supervalent ions (Al 3+ vs Ta 5+) affect the structure very differently, both in terms of the lattice constant, which is easily measurable, and hi terms of the local structure, which can be difficult or impossible to access experimentally but may have important ramifications for conduction. We carefully correlate the lattice constant to dopant type/concentration via Vegard's law and then further correlate these quantities to relevant local structural parameters. In conclusion, our work opens the possibility of developing a codopant scheme that optimizes the Li vacancy concentration and the lattice size simultaneously.« less

  4. Matter in transition

    DOE PAGES

    Anderson, Lara B.; Gray, James; Raghuram, Nikhil; ...

    2016-04-13

    In this study, we explore a novel type of transition in certain 6D and 4D quantum field theories, in which the matter content of the theory changes while the gauge group and other parts of the spectrum remain invariant. Such transitions can occur, for example, for SU(6) and SU(7) gauge groups, where matter fields in a three-index antisymmetric representation and the fundamental representation are exchanged in the transition for matter in the two-index antisymmetric representation. These matter transitions are realized by passing through superconformal theories at the transition point. We explore these transitions in dual F-theory and heterotic descriptions, wheremore » a number of novel features arise. For example, in the heterotic description the relevant 6D SU(7) theories are described by bundles on K3 surfaces where the geometry of the K3 is constrained in addition to the bundle structure. On the F-theory side, non-standard representations such as the three-index antisymmetric representation of SU(N) require Weierstrass models that cannot be realized from the standard SU(N) Tate form. We also briefly describe some other situations, with groups such as Sp(3), SO(12), and SU(3), where analogous matter transitions can occur between different representations. For SU(3), in particular, we find a matter transition between adjoint matter and matter in the symmetric representation, giving an explicit Weierstrass model for the F-theory description of the symmetric representation that complements another recent analogous construction.« less

  5. Moral Development, Ego Autonomy and Questions of Practicality in the Critical Theory of Schooling.

    ERIC Educational Resources Information Center

    Young, R. E.

    1988-01-01

    This article summarizes Habermas' critical theory of education, examines relevant features of the development of children's capacity to enter into rational argumentation, and examines the significance of this development for a critical theory of schooling. (IAH)

  6. Modeling and Performing Relational Theories in the Classroom

    ERIC Educational Resources Information Center

    Suter, Elizabeth A.; West, Carrie L.

    2011-01-01

    Although directly related to students' everyday lives, the abstract and even intimidating nature of relational theories often bars students from recognizing the immediate relevance to their relationships. The theories of symbolic interactionism, social exchange, relational dialectics, social penetration, and uncertainty reduction offer students…

  7. Structural Equation Modeling: Applications in ecological and evolutionary biology research

    USGS Publications Warehouse

    Pugesek, Bruce H.; von Eye, Alexander; Tomer, Adrian

    2003-01-01

    This book presents an introduction to the methodology of structural equation modeling, illustrates its use, and goes on to argue that it has revolutionary implications for the study of natural systems. A major theme of this book is that we have, up to this point, attempted to study systems primarily using methods (such as the univariate model) that were designed only for considering individual processes. Understanding systems requires the capacity to examine simultaneous influences and responses. Structural equation modeling (SEM) has such capabilities. It also possesses many other traits that add strength to its utility as a means of making scientific progress. In light of the capabilities of SEM, it can be argued that much of ecological theory is currently locked in an immature state that impairs its relevance. It is further argued that the principles of SEM are capable of leading to the development and evaluation of multivariate theories of the sort vitally needed for the conservation of natural systems. Supplementary information can be found at the authors website, http://www.jamesbgrace.com/. • Details why multivariate analyses should be used to study ecological systems • Exposes unappreciated weakness in many current popular analyses • Emphasizes the future methodological developments needed to advance our understanding of ecological systems.

  8. Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series.

    PubMed

    Güssregen, Stefan; Matter, Hans; Hessler, Gerhard; Lionta, Evanthia; Heil, Jochen; Kast, Stefan M

    2017-07-24

    Water molecules play an essential role for mediating interactions between ligands and protein binding sites. Displacement of specific water molecules can favorably modulate the free energy of binding of protein-ligand complexes. Here, the nature of water interactions in protein binding sites is investigated by 3D RISM (three-dimensional reference interaction site model) integral equation theory to understand and exploit local thermodynamic features of water molecules by ranking their possible displacement in structure-based design. Unlike molecular dynamics-based approaches, 3D RISM theory allows for fast and noise-free calculations using the same detailed level of solute-solvent interaction description. Here we correlate molecular water entities instead of mere site density maxima with local contributions to the solvation free energy using novel algorithms. Distinct water molecules and hydration sites are investigated in multiple protein-ligand X-ray structures, namely streptavidin, factor Xa, and factor VIIa, based on 3D RISM-derived free energy density fields. Our approach allows the semiquantitative assessment of whether a given structural water molecule can potentially be targeted for replacement in structure-based design. Finally, PLS-based regression models from free energy density fields used within a 3D-QSAR approach (CARMa - comparative analysis of 3D RISM Maps) are shown to be able to extract relevant information for the interpretation of structure-activity relationship (SAR) trends, as demonstrated for a series of serine protease inhibitors.

  9. Effects of contextual relevance on pragmatic inference during conversation: An fMRI study.

    PubMed

    Feng, Wangshu; Wu, Yue; Jan, Catherine; Yu, Hongbo; Jiang, Xiaoming; Zhou, Xiaolin

    2017-08-01

    Contextual relevance, which is vital for understanding conversational implicatures (CI), engages both the frontal-temporal language and theory-of-mind networks. Here we investigate how contextual relevance affects CI processing and regulates the connectivity between CI-processing-related brain regions. Participants listened to dialogues in which the level of contextual relevance to dialogue-final utterance (reply) was manipulated. This utterance was either direct, indirect but relevant, irrelevant with contextual hint, or irrelevant with no contextual hint. Results indicated that compared with direct replies, indirect replies showed increased activations in bilateral IFG, bilateral MTG, bilateral TPJ, dmPFC, and precuneus, and increased connectivity between rTPJ/dmPFC and both IFG and MTG. Moreover, irrelevant replies activated right MTG along an anterior-posterior gradient as a function of the level of irrelevance. Our study provides novel evidence concerning how the language and theory-of-mind networks interact for pragmatic inference and how the processing of CI is modulated by level of contextual relevance. Copyright © 2017 Elsevier Inc. All rights reserved.

  10. Becoming Resilient: Promoting the Mental Health and Well-Being of Immigrant Women in a Canadian Context

    PubMed Central

    MacDonnell, Judith A.; Dastjerdi, Mahdieh; Bokore, Nimo; Khanlou, Nazilla

    2012-01-01

    This paper reports on grounded theory findings that are relevant to promoting the mental health and well-being of immigrant women in Canada. The findings illustrate how relationships among settlement factors and dynamics of empowerment had implications for “becoming resilient” as immigrant women and how various health promotion approaches enhanced their well-being. Dimensions of empowerment were embedded in the content and process of the feminist health promotion approach used in this study. Four focus groups were completed in Toronto, Ontario, Canada with 35 racialized immigrant women who represented diverse countries of origin: 25 were from Africa; others were equally represented from South Asia (5), Asia (5), and Central or South America and the Caribbean (5). Participants represented diverse languages, family dynamics, and educational backgrounds. One focus group was conducted in Somali; three were conducted in English. Constructivist grounded theory, theoretical sampling, and a critical feminist approach were chosen to be congruent with health promotion research that fostered women's empowerment. Findings foreground women's agency in the study process, the ways that immigrant women name and frame issues relevant to their lives, and the interplay among individual, family, community, and structural dynamics shaping their well-being. Implications for mental health promotion are discussed. PMID:22754696

  11. Reflections on the development of health economics in low- and middle-income countries

    PubMed Central

    Mills, Anne

    2014-01-01

    Health economics is a relatively new discipline, though its antecedents can be traced back to William Petty FRS (1623–1687). In high-income countries, the academic discipline and scientific literature have grown rapidly since the 1960s. In low- and middle-income countries, the growth of health economics has been strongly influenced by trends in health policy, especially among the international and bilateral agencies involved in supporting health sector development. Valuable and influential research has been done in areas such as cost–benefit and cost-effectiveness analysis, financing of healthcare, healthcare provision, and health systems analysis, but there has been insufficient questioning of the relevance of theories and policy recommendations in the rich world literature to the circumstances of poorer countries. Characteristics such as a country's economic structure, strength of political and social institutions, management capacity, and dependence on external agencies, mean that theories and models cannot necessarily be transferred between settings. Recent innovations in the health economics literature on low- and middle-income countries indicate how health economics can be shaped to provide more relevant advice for policy. For this to be taken further, it is critical that such countries develop stronger capacity for health economics within their universities and research institutes, with greater local commitment of funding. PMID:25009059

  12. Attitude Strength.

    PubMed

    Howe, Lauren C; Krosnick, Jon A

    2017-01-03

    Attitude strength has been the focus of a huge volume of research in psychology and related sciences for decades. The insights offered by this literature have tremendous value for understanding attitude functioning and structure and for the effective application of the attitude concept in applied settings. This is the first Annual Review of Psychology article on the topic, and it offers a review of theory and evidence regarding one of the most researched strength-related attitude features: attitude importance. Personal importance is attached to an attitude when the attitude is perceived to be relevant to self-interest, social identification with reference groups or reference individuals, and values. Attaching personal importance to an attitude causes crystallizing of attitudes (via enhanced resistance to change), effortful gathering and processing of relevant information, accumulation of a large store of well-organized relevant information in long-term memory, enhanced attitude extremity and accessibility, enhanced attitude impact on the regulation of interpersonal attraction, energizing of emotional reactions, and enhanced impact of attitudes on behavioral intentions and action. Thus, important attitudes are real and consequential psychological forces, and their study offers opportunities for addressing behavioral change.

  13. Promotive and Corrosive Factors in African American Students' Math Beliefs and Achievement.

    PubMed

    Diemer, Matthew A; Marchand, Aixa D; McKellar, Sarah E; Malanchuk, Oksana

    2016-06-01

    Framed by expectancy-value theory (which posits that beliefs about and the subjective valuation of a domain predict achievement and decision-making in that domain), this study examined the relationships among teacher differential treatment and relevant math instruction on African American students' self-concept of math ability, math task value, and math achievement. These questions were examined by applying structural equation modeling to 618 African American youth (45.6 % female) followed from 7th to 11th grade in the Maryland Adolescent Development in Context Study. While controlling for gender and prior math achievement, relevant math instruction promoted and teacher differential treatment corroded students' math beliefs and achievement over time. Further, teacher discrimination undermined students' perceptions of their teachers, a mediating process under-examined in previous inquiry. These findings suggest policy and practice levers to narrow opportunity gaps, as well as foster math achievement and science, technology, engineering and math success.

  14. Compositional descriptor-based recommender system for the materials discovery

    NASA Astrophysics Data System (ADS)

    Seko, Atsuto; Hayashi, Hiroyuki; Tanaka, Isao

    2018-06-01

    Structures and properties of many inorganic compounds have been collected historically. However, it only covers a very small portion of possible inorganic crystals, which implies the presence of numerous currently unknown compounds. A powerful machine-learning strategy is mandatory to discover new inorganic compounds from all chemical combinations. Herein we propose a descriptor-based recommender-system approach to estimate the relevance of chemical compositions where crystals can be formed [i.e., chemically relevant compositions (CRCs)]. In addition to data-driven compositional similarity used in the literature, the use of compositional descriptors as a prior knowledge is helpful for the discovery of new compounds. We validate our recommender systems in two ways. First, one database is used to construct a model, while another is used for the validation. Second, we estimate the phase stability for compounds at expected CRCs using density functional theory calculations.

  15. Theories of behaviour and behaviour change across the social and behavioural sciences: a scoping review.

    PubMed

    Davis, Rachel; Campbell, Rona; Hildon, Zoe; Hobbs, Lorna; Michie, Susan

    2015-01-01

    Interventions to change health-related behaviours typically have modest effects and may be more effective if grounded in appropriate theory. Most theories applied to public health interventions tend to emphasise individual capabilities and motivation, with limited reference to context and social factors. Intervention effectiveness may be increased by drawing on a wider range of theories incorporating social, cultural and economic factors that influence behaviour. The primary aim of this paper is to identify theories of behaviour and behaviour change of potential relevance to public health interventions across four scientific disciplines: psychology, sociology, anthropology and economics. We report in detail the methodology of our scoping review used to identify these theories including which involved a systematic search of electronic databases, consultation with a multidisciplinary advisory group, web searching, searching of reference lists and hand searching of key behavioural science journals. Of secondary interest we developed a list of agreed criteria for judging the quality of the theories. We identified 82 theories and 9 criteria for assessing theory quality. The potential relevance of this wide-ranging number of theories to public health interventions and the ease and usefulness of evaluating the theories in terms of the quality criteria are however yet to be determined.

  16. Theories of behaviour and behaviour change across the social and behavioural sciences: a scoping review

    PubMed Central

    Davis, Rachel; Campbell, Rona; Hildon, Zoe; Hobbs, Lorna; Michie, Susan

    2015-01-01

    Interventions to change health-related behaviours typically have modest effects and may be more effective if grounded in appropriate theory. Most theories applied to public health interventions tend to emphasise individual capabilities and motivation, with limited reference to context and social factors. Intervention effectiveness may be increased by drawing on a wider range of theories incorporating social, cultural and economic factors that influence behaviour. The primary aim of this paper is to identify theories of behaviour and behaviour change of potential relevance to public health interventions across four scientific disciplines: psychology, sociology, anthropology and economics. We report in detail the methodology of our scoping review used to identify these theories including which involved a systematic search of electronic databases, consultation with a multidisciplinary advisory group, web searching, searching of reference lists and hand searching of key behavioural science journals. Of secondary interest we developed a list of agreed criteria for judging the quality of the theories. We identified 82 theories and 9 criteria for assessing theory quality. The potential relevance of this wide-ranging number of theories to public health interventions and the ease and usefulness of evaluating the theories in terms of the quality criteria are however yet to be determined. PMID:25104107

  17. Maintenance of polygenic sex determination in a fluctuating environment: an individual-based model.

    PubMed

    Bateman, A W; Anholt, B R

    2017-05-01

    R. A. Fisher predicted that individuals should invest equally in offspring of both sexes, and that the proportion of males and females produced (the primary sex ratio) should evolve towards 1:1 when unconstrained. For many species, sex determination is dependent on sex chromosomes, creating a strong tendency for balanced sex ratios, but in other cases, multiple autosomal genes interact to determine sex. In such cases, the maintenance of multiple sex-determining alleles at multiple loci and the consequent among-family variability in sex ratios presents a puzzle, as theory predicts that such systems should be unstable. Theory also predicts that environmental influences on sex can complicate outcomes of genetic sex determination, and that population structure may play a role. Tigriopus californicus, a copepod that lives in splash-pool metapopulations and exhibits polygenic and environment-dependent sex determination, presents a test case for relevant theory. We use this species as a model for parameterizing an individual-based simulation to investigate conditions that could maintain polygenic sex determination. We find that metapopulation structure can delay the degradation of polygenic sex determination and that periods of alternating frequency-dependent selection, imposed by seasonal fluctuations in environmental conditions, can maintain polygenic sex determination indefinitely. © 2017 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2017 European Society For Evolutionary Biology.

  18. A hybrid organic-inorganic perovskite dataset

    NASA Astrophysics Data System (ADS)

    Kim, Chiho; Huan, Tran Doan; Krishnan, Sridevi; Ramprasad, Rampi

    2017-05-01

    Hybrid organic-inorganic perovskites (HOIPs) have been attracting a great deal of attention due to their versatility of electronic properties and fabrication methods. We prepare a dataset of 1,346 HOIPs, which features 16 organic cations, 3 group-IV cations and 4 halide anions. Using a combination of an atomic structure search method and density functional theory calculations, the optimized structures, the bandgap, the dielectric constant, and the relative energies of the HOIPs are uniformly prepared and validated by comparing with relevant experimental and/or theoretical data. We make the dataset available at Dryad Digital Repository, NoMaD Repository, and Khazana Repository (http://khazana.uconn.edu/), hoping that it could be useful for future data-mining efforts that can explore possible structure-property relationships and phenomenological models. Progressive extension of the dataset is expected as new organic cations become appropriate within the HOIP framework, and as additional properties are calculated for the new compounds found.

  19. Beyond Description in Interpersonal Construct Validation: Methodological Advances in the Circumplex Structural Summary Approach.

    PubMed

    Zimmermann, Johannes; Wright, Aidan G C

    2017-01-01

    The interpersonal circumplex is a well-established structural model that organizes interpersonal functioning within the two-dimensional space marked by dominance and affiliation. The structural summary method (SSM) was developed to evaluate the interpersonal nature of other constructs and measures outside the interpersonal circumplex. To date, this method has been primarily descriptive, providing no way to draw inferences when comparing SSM parameters across constructs or groups. We describe a newly developed resampling-based method for deriving confidence intervals, which allows for SSM parameter comparisons. In a series of five studies, we evaluated the accuracy of the approach across a wide range of possible sample sizes and parameter values, and demonstrated its utility for posing theoretical questions on the interpersonal nature of relevant constructs (e.g., personality disorders) using real-world data. As a result, the SSM is strengthened for its intended purpose of construct evaluation and theory building. © The Author(s) 2015.

  20. Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO 2(111)

    DOE PAGES

    Wang, Tongyu; Reuter, Karsten

    2015-11-24

    We present a density-functional theory based kinetic Monte Carlo study of CO oxidation at the (111) facet of RuO 2. We compare the detailed insight into elementary processes, steady-state surface coverages, and catalytic activity to equivalent published simulation data for the frequently studied RuO 2(110) facet. Qualitative differences are identified in virtually every aspect ranging from binding energetics over lateral interactions to the interplay of elementary processes at the different active sites. Nevertheless, particularly at technologically relevant elevated temperatures, near-ambient pressures and near-stoichiometric feeds both facets exhibit almost identical catalytic activity. As a result, these findings challenge the traditional definitionmore » of structure sensitivity based on macroscopically observable turnover frequencies and prompt scrutiny of the applicability of structure sensitivity classifications developed for metals to oxide catalysis.« less

  1. Adaptive management of rangeland systems

    USGS Publications Warehouse

    Allen, Craig R.; Angeler, David G.; Fontaine, Joseph J.; Garmestani, Ahjond S.; Hart, Noelle M.; Pope, Kevin L.; Twidwell, Dirac

    2017-01-01

    Adaptive management is an approach to natural resource management that uses structured learning to reduce uncertainties for the improvement of management over time. The origins of adaptive management are linked to ideas of resilience theory and complex systems. Rangeland management is particularly well suited for the application of adaptive management, having sufficient controllability and reducible uncertainties. Adaptive management applies the tools of structured decision making and requires monitoring, evaluation, and adjustment of management. Adaptive governance, involving sharing of power and knowledge among relevant stakeholders, is often required to address conflict situations. Natural resource laws and regulations can present a barrier to adaptive management when requirements for legal certainty are met with environmental uncertainty. However, adaptive management is possible, as illustrated by two cases presented in this chapter. Despite challenges and limitations, when applied appropriately adaptive management leads to improved management through structured learning, and rangeland management is an area in which adaptive management shows promise and should be further explored.

  2. Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass

    NASA Astrophysics Data System (ADS)

    Vasconcelos, Filipe; Cristol, Sylvain; Paul, Jean-François; Delevoye, Laurent; Mauri, Francesco; Charpentier, Thibault; Le Caër, Gérard

    2013-06-01

    The extended Czjzek model (ECM) is applied to the distribution of NMR parameters of a simple glass model (sodium metaphosphate, NaPO3) obtained by molecular dynamics (MD) simulations. Accurate NMR tensors, electric field gradient (EFG) and chemical shift anisotropy (CSA) are calculated from density functional theory (DFT) within the well-established PAW/GIPAW framework. The theoretical results are compared to experimental high-resolution solid-state NMR data and are used to validate the considered structural model. The distributions of the calculated coupling constant CQ ∝ |Vzz| and the asymmetry parameter ηQ that characterize the quadrupolar interaction are discussed in terms of structural considerations with the help of a simple point charge model. Finally, the ECM analysis is shown to be relevant for studying the distribution of CSA tensor parameters and gives new insight into the structural characterization of disordered systems by solid-state NMR.

  3. Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass.

    PubMed

    Vasconcelos, Filipe; Cristol, Sylvain; Paul, Jean-François; Delevoye, Laurent; Mauri, Francesco; Charpentier, Thibault; Le Caër, Gérard

    2013-06-26

    The extended Czjzek model (ECM) is applied to the distribution of NMR parameters of a simple glass model (sodium metaphosphate, NaPO3) obtained by molecular dynamics (MD) simulations. Accurate NMR tensors, electric field gradient (EFG) and chemical shift anisotropy (CSA) are calculated from density functional theory (DFT) within the well-established PAW/GIPAW framework. The theoretical results are compared to experimental high-resolution solid-state NMR data and are used to validate the considered structural model. The distributions of the calculated coupling constant C(Q) is proportional to |V(zz)| and the asymmetry parameter η(Q) that characterize the quadrupolar interaction are discussed in terms of structural considerations with the help of a simple point charge model. Finally, the ECM analysis is shown to be relevant for studying the distribution of CSA tensor parameters and gives new insight into the structural characterization of disordered systems by solid-state NMR.

  4. Machine Learning Estimates of Natural Product Conformational Energies

    PubMed Central

    Rupp, Matthias; Bauer, Matthias R.; Wilcken, Rainer; Lange, Andreas; Reutlinger, Michael; Boeckler, Frank M.; Schneider, Gisbert

    2014-01-01

    Machine learning has been used for estimation of potential energy surfaces to speed up molecular dynamics simulations of small systems. We demonstrate that this approach is feasible for significantly larger, structurally complex molecules, taking the natural product Archazolid A, a potent inhibitor of vacuolar-type ATPase, from the myxobacterium Archangium gephyra as an example. Our model estimates energies of new conformations by exploiting information from previous calculations via Gaussian process regression. Predictive variance is used to assess whether a conformation is in the interpolation region, allowing a controlled trade-off between prediction accuracy and computational speed-up. For energies of relaxed conformations at the density functional level of theory (implicit solvent, DFT/BLYP-disp3/def2-TZVP), mean absolute errors of less than 1 kcal/mol were achieved. The study demonstrates that predictive machine learning models can be developed for structurally complex, pharmaceutically relevant compounds, potentially enabling considerable speed-ups in simulations of larger molecular structures. PMID:24453952

  5. Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO{sub 2}(111)

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

    Wang, Tongyu; Reuter, Karsten, E-mail: karsten.reuter@ch.tum.de; SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory and Stanford University, 443 Via Ortega, Stanford, California 94035-4300

    2015-11-28

    We present a density-functional theory based kinetic Monte Carlo study of CO oxidation at the (111) facet of RuO{sub 2}. We compare the detailed insight into elementary processes, steady-state surface coverages, and catalytic activity to equivalent published simulation data for the frequently studied RuO{sub 2}(110) facet. Qualitative differences are identified in virtually every aspect ranging from binding energetics over lateral interactions to the interplay of elementary processes at the different active sites. Nevertheless, particularly at technologically relevant elevated temperatures, near-ambient pressures and near-stoichiometric feeds both facets exhibit almost identical catalytic activity. These findings challenge the traditional definition of structure sensitivitymore » based on macroscopically observable turnover frequencies and prompt scrutiny of the applicability of structure sensitivity classifications developed for metals to oxide catalysis.« less

  6. Employment of CB models for non-linear dynamic analysis

    NASA Technical Reports Server (NTRS)

    Klein, M. R. M.; Deloo, P.; Fournier-Sicre, A.

    1990-01-01

    The non-linear dynamic analysis of large structures is always very time, effort and CPU consuming. Whenever possible the reduction of the size of the mathematical model involved is of main importance to speed up the computational procedures. Such reduction can be performed for the part of the structure which perform linearly. Most of the time, the classical Guyan reduction process is used. For non-linear dynamic process where the non-linearity is present at interfaces between different structures, Craig-Bampton models can provide a very rich information, and allow easy selection of the relevant modes with respect to the phenomenon driving the non-linearity. The paper presents the employment of Craig-Bampton models combined with Newmark direct integration for solving non-linear friction problems appearing at the interface between the Hubble Space Telescope and its solar arrays during in-orbit maneuvers. Theory, implementation in the FEM code ASKA, and practical results are shown.

  7. Rheology of heterotypic collagen networks.

    PubMed

    Piechocka, Izabela K; van Oosten, Anne S G; Breuls, Roel G M; Koenderink, Gijsje H

    2011-07-11

    Collagen fibrils are the main structural element of connective tissues. In many tissues, these fibrils contain two fibrillar collagens (types I and V) in a ratio that changes during tissue development, regeneration, and various diseases. Here we investigate the influence of collagen composition on the structure and rheology of networks of purified collagen I and V, combining fluorescence and atomic force microscopy, turbidimetry, and rheometry. We demonstrate that the network stiffness strongly decreases with increasing collagen V content, even though the network structure does not substantially change. We compare the rheological data with theoretical models for rigid polymers and find that the elasticity is dominated by nonaffine deformations. There is no analytical theory describing this regime, hampering a quantitative interpretation of the influence of collagen V. Our findings are relevant for understanding molecular origins of tissue biomechanics and for guiding rational design of collagenous biomaterials for biomedical applications.

  8. Electronic properties of bilayer graphenes strongly coupled to interlayer stacking and an external field

    DOE PAGES

    Park, Changwon; Ryou, Junga; Hong, Suklyun; ...

    2015-07-02

    Bilayer graphene (BLG) with a tunable band gap appears interesting as an alternative to graphene for practical applications; thus, its transport properties are being actively pursued. Using density functional theory and perturbation analysis, we investigated, under an external electric field, the electronic properties of BLG in various stackings relevant to recently observed complex structures. We established the first phase diagram summarizing the stacking-dependent gap openings of BLG for a given field. Lastly, we further identified high-density midgap states, localized on grain boundaries, even under a strong field, which can considerably reduce the overall transport gap.

  9. Conference on the Physics and Chemistry of Semiconductor Interfaces (26th) Held in the Catamaran Resort Hotel in Pacific Beach, San Diego, California on 17 January 1999 to 21 January 1999. Microelectronics and Nanometer Structures: Processing, Measurement, and Phenomena

    DTIC Science & Technology

    2000-01-27

    99)03604-5] I. INTRODUCTION Electron spin is becoming increasingly popular in elec- tronics. New devices, now generally referred to as spintron...relevant spin relaxation mechanisms are very sensitive to factors like mo- bility (which is higher in QWs), electron-hole separation (smaller in...from a naive theory . In addition to explaining experiment, the spin -hot-spot model predicts the behavior of other polyvalent metals. The model is

  10. Invisibility cloaking in the diffusive-light limit (presentation video)

    NASA Astrophysics Data System (ADS)

    Schittny, Robert; Kadic, Muamer; Wegener, Martin

    2014-09-01

    Albert Einstein's theory of relativity imposes stringent limitations to making macroscopic objects invisible with respect to electromagnetic light waves propagating in vacuum. These limitations are not relevant though for propagation of light in diffusive media like fog or milk because the effective energy speed is significantly lower than in vacuum due to multiple scattering events. Here, by exploiting the close mathematical analogy between the electrostatic or near-field limit of optics on the one hand and light diffusion on the other hand, we design, fabricate, and characterize simple core-shell cloaking structures for diffusive light propagation in cylindrical and spherical geometry.

  11. An Aesthetic Theory of School Vandalism. Discussion Papers 419.

    ERIC Educational Resources Information Center

    Allen, Vernon L.; Greenberger, David B.

    This study presents an aesthetic theory of school vandalism and reports on nine original empirical studies that are relevant to the theory. It is proposed that the act of destroying an object is very enjoyable because it is, in effect, an aesthetic experience. The theory posits that the variables accounting for positive hedonic value associated…

  12. Introduction: attachment theory and psychotherapy.

    PubMed

    Levy, Kenneth N

    2013-11-01

    In this introduction to the JCLP: In Session 69(11) issue on attachment theory and psychotherapy, the key points of attachment theory (Bowlby, , , 1981) and its relevance to psychotherapy are briefly described. The aim of this issue is to provide case illustrations of how an attachment theory perspective and principles can expand our understanding of psychotherapy practice. © 2013 Wiley Periodicals, Inc.

  13. Objectification Theory: Of Relevance for Eating Disorder Researchers and Clinicians?

    ERIC Educational Resources Information Center

    Tiggemann, Marika

    2013-01-01

    Background: There is a large and expanding body of research on Objectification Theory. Central to the theory is the proposition that self-objectification results in shame and anxiety surrounding the body, and as a consequence, the development of eating disorders. However, the theory and research have been developed and reported in the gender and…

  14. A new theory for X-ray diffraction

    PubMed Central

    Fewster, Paul F.

    2014-01-01

    This article proposes a new theory of X-ray scattering that has particular relevance to powder diffraction. The underlying concept of this theory is that the scattering from a crystal or crystallite is distributed throughout space: this leads to the effect that enhanced scatter can be observed at the ‘Bragg position’ even if the ‘Bragg condition’ is not satisfied. The scatter from a single crystal or crystallite, in any fixed orientation, has the fascinating property of contributing simultaneously to many ‘Bragg positions’. It also explains why diffraction peaks are obtained from samples with very few crystallites, which cannot be explained with the conventional theory. The intensity ratios for an Si powder sample are predicted with greater accuracy and the temperature factors are more realistic. Another consequence is that this new theory predicts a reliability in the intensity measurements which agrees much more closely with experimental observations compared to conventional theory that is based on ‘Bragg-type’ scatter. The role of dynamical effects (extinction etc.) is discussed and how they are suppressed with diffuse scattering. An alternative explanation for the Lorentz factor is presented that is more general and based on the capture volume in diffraction space. This theory, when applied to the scattering from powders, will evaluate the full scattering profile, including peak widths and the ‘background’. The theory should provide an increased understanding of the reliability of powder diffraction measurements, and may also have wider implications for the analysis of powder diffraction data, by increasing the accuracy of intensities predicted from structural models. PMID:24815975

  15. Perspectives of Light-Front Quantized Field Theory: Some New Results

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

    Srivastava, Prem P.

    1999-08-13

    A review of some basic topics in the light-front (LF) quantization of relativistic field theory is made. It is argued that the LF quantization is equally appropriate as the conventional one and that they lead, assuming the microcausality principle, to the same physical content. This is confirmed in the studies on the LF of the spontaneous symmetry breaking (SSB), of the degenerate vacua in Schwinger model (SM) and Chiral SM (CSM), of the chiral boson theory, and of the QCD in covariant gauges among others. The discussion on the LF is more economical and more transparent than that found inmore » the conventional equal-time quantized theory. The removal of the constraints on the LF phase space by following the Dirac method, in fact, results in a substantially reduced number of independent dynamical variables. Consequently, the descriptions of the physical Hilbert space and the vacuum structure, for example, become more tractable. In the context of the Dyson-Wick perturbation theory the relevant propagators in the front form theory are causal. The Wick rotation can then be performed to employ the Euclidean space integrals in momentum space. The lack of manifest covariance becomes tractable, and still more so if we employ, as discussed in the text, the Fourier transform of the fermionic field based on a special construction of the LF spinor. The fact that the hyperplanes x{sup {+-}} = 0 constitute characteristic surfaces of the hyperbolic partial differential equation is found irrelevant in the quantized theory; it seems sufficient to quantize the theory on one of the characteristic hyperplanes.« less

  16. On a modification method of Lefschetz thimbles

    NASA Astrophysics Data System (ADS)

    Tsutsui, Shoichiro; Doi, Takahiro M.

    2018-03-01

    The QCD at finite density is not well understood yet, where standard Monte Carlo simulation suffers from the sign problem. In order to overcome the sign problem, the method of Lefschetz thimble has been explored. Basically, the original sign problem can be less severe in a complexified theory due to the constancy of the imaginary part of an action on each thimble. However, global phase factors assigned on each thimble still remain. Their interference is not negligible in a situation where a large number of thimbles contribute to the partition function, and this could also lead to a sign problem. In this study, we propose a method to resolve this problem by modifying the structure of Lefschetz thimbles such that only a single thimble is relevant to the partition function. It can be shown that observables measured in the original and modified theories are connected by a simple identity. We exemplify that our method works well in a toy model.

  17. Physics through the 1990s: Atomic, molecular and optical physics

    NASA Technical Reports Server (NTRS)

    1986-01-01

    The volume presents a program of research initiatives in atomic, molecular, and optical physics. The current state of atomic, molecular, and optical physics in the US is examined with respect to demographics, education patterns, applications, and the US economy. Recommendations are made for each field, with discussions of their histories and the relevance of the research to government agencies. The section on atomic physics includes atomic theory, structure, and dynamics; accelerator-based atomic physics; and large facilities. The section on molecular physics includes spectroscopy, scattering theory and experiment, and the dynamics of chemical reactions. The section on optical physics discusses lasers, laser spectroscopy, and quantum optics and coherence. A section elucidates interfaces between the three fields and astrophysics, condensed matter physics, surface science, plasma physics, atmospheric physics, and nuclear physics. Another section shows applications of the three fields in ultra-precise measurements, fusion, national security, materials, medicine, and other topics.

  18. Radical scavenging behavior of eriodictyol and fustin flavonoid compounds - A DFT study

    NASA Astrophysics Data System (ADS)

    Sadasivam, K.; Praveena, R.; Anbakzhakan, K.

    2018-05-01

    The density functional theory (DFT) protocol together with B3LYP/6-311G(d,p) level of theory has been utilized to explore and compare the structural features and molecular characteristics of two naturally occurring flavonoid compounds eriodictyol and fustin. The -OH bond dissociation energy (BDE) for all the radical species have been computed and interpreted in accordance with the radical scavenging activity. The ionization potential (IP) value of fustin flavonoid compound was found to be within the range of synthetic food additives. The polar nature and their capacity to polarise other atoms are established through the dipole moment analysis. Additionally, various parameters that are relevant to chemical potential such as electron affinity, hardness, softness, electro negativity and electrophilic index were calculated and analysed in the light of quercetin flavonoid compound in view of their antioxidant activity. The antioxidant capability of fustin is found to be superior to eriodictyol flavonoid.

  19. What do we actually mean by 'sociotechnical'? On values, boundaries and the problems of language.

    PubMed

    Klein, Lisl

    2014-03-01

    The term 'sociotechnical' was first coined in the context of industrial democracy. In comparing two projects on shipping in Esso to help define the concept, the essential categories were found to be where systems boundaries were set, and what factors were considered to be relevant 'human' characteristics. This is often discussed in terms of values. During the nineteen-sixties and seventies sociotechnical theory related to the shop-floor work system, and contingency theory to the organisation as a whole, the two levels being distinct. With the coming of information technology, this distinction became blurred; the term 'socio-structural' is proposed to describe the whole system. IT sometimes is the operating technology, it sometimes supports the operating technology, or it may sometimes be mistaken for the operating technology. This is discussed with reference to recent air accidents. Copyright © 2013 Elsevier Ltd and The Ergonomics Society. All rights reserved.

  20. The HEXACO Honesty-Humility, Agreeableness, and Emotionality factors: a review of research and theory.

    PubMed

    Ashton, Michael C; Lee, Kibeom; de Vries, Reinout E

    2014-05-01

    We review research and theory on the HEXACO personality dimensions of Honesty-Humility (H), Agreeableness (A), and Emotionality (E), with particular attention to the following topics: (1) the origins of the HEXACO model in lexical studies of personality structure, and the content of the H, A, and E factors in those studies; (2) the operationalization of the H, A, and E factors in the HEXACO Personality Inventory-Revised; (3) the construct validity of self-reports on scales measuring the H factor; (4) the theoretical distinction between H and A; (5) similarity and assumed similarity between social partners in personality, with a focus on H and A; (6) the extent to which H (and A and E) variance is represented in instruments assessing the "Five-Factor Model" of personality; and (7) the relative validity of scales assessing the HEXACO and Five-Factor Model dimensions in predicting criteria conceptually relevant to H, A, and E.

  1. The role of perceptual load in inattentional blindness.

    PubMed

    Cartwright-Finch, Ula; Lavie, Nilli

    2007-03-01

    Perceptual load theory offers a resolution to the long-standing early vs. late selection debate over whether task-irrelevant stimuli are perceived, suggesting that irrelevant perception depends upon the perceptual load of task-relevant processing. However, previous evidence for this theory has relied on RTs and neuroimaging. Here we tested the effects of load on conscious perception using the "inattentional blindness" paradigm. As predicted by load theory, awareness of a task-irrelevant stimulus was significantly reduced by higher perceptual load (with increased numbers of search items, or a harder discrimination vs. detection task). These results demonstrate that conscious perception of task-irrelevant stimuli critically depends upon the level of task-relevant perceptual load rather than intentions or expectations, thus enhancing the resolution to the early vs. late selection debate offered by the perceptual load theory.

  2. [Ethical viewpoints on cryopreservation of human embryos].

    PubMed

    Weiler, R

    1991-01-01

    In the introduction the author describes how moral judgements are being formed in the pluralistic structures of today's societies. Moral relativism and subjectivism are the wide spread consequences of empirical anthropological theories. In this situation the necessity of an objective and normative moral theory (Christian natural law theory) is being stressed. Neither biology nor medicine can pronounce final judgements on the value of human life. The arguments in favour of cryoconservation (medical progress, parents wish to have children, cost-reduction) are outweighed by those arguments which maintain that man cannot dispose of human life through the manipulation of the progenitive act outside marriage and of the juman act of procreation. There are also the risks and the endangering of the human value of the embryo, up to prolicide which is considered to be permissible in some cases, on these moral grounds the author objects to the cryoconservation of embryos as does the relevant instruction of the papal magisterium of the Roman Catholic Church (Donum vitae 1987). He does not, however, take a final stance on how the subjective decision of the physician is to be judged in the individual case.

  3. Statistical Mechanical Theory of Penetrant Diffusion in Polymer Melts and Glasses

    NASA Astrophysics Data System (ADS)

    Zhang, Rui; Schweizer, Kenneth

    We generalize our force-level, self-consistent nonlinear Langevin equation theory of activated diffusion of a dilute spherical penetrant in hard sphere fluids to predict the long-time diffusivity of molecular penetrants in supercooled polymer liquids and non-aging glasses. Chemical complexity is treated using an a priori mapping to a temperature-dependent hard sphere mixture model where polymers are disconnected into effective spheres based on the Kuhn length as the relevant coarse graining scale. A key parameter for mobility is the penetrant to polymer segment diameter ratio, R. Our calculations agree well with experimental measurements for a wide range of temperatures, penetrant sizes (from gas molecules with R ~0.3 to aromatic molecules with R ~1) and diverse amorphous polymers, over 10 decades variation of penetrant diffusivity. Structural parameter transferability is good. We have also formulated a theory at finite penetrant loading for the coupled penetrant-polymer dynamics in chemically (nearly) matched mixtures (e.g., toluene-polystyrene) which captures well the increase of penetrant diffusivity and decrease of polymer matrix vitrification temperature with increasing loading.

  4. Structure-property relationships in cubic cuprous iodide: A novel view on stability, chemical bonding, and electronic properties

    NASA Astrophysics Data System (ADS)

    Pishtshev, A.; Karazhanov, S. Zh.

    2017-02-01

    Based on the combination of density functional theory and theory-group methods, we performed systematic modeling of γ-CuI structural design at the atomistic level. Being started from the metallic copper lattice, we treated a crystal assembly as a stepwise iodination process characterized in terms of a sequence of intermediate lattice geometries. These geometries were selected and validated via screening of possible structural transformations. The genesis of chemical bonding was studied for three structural transformations by analyzing the relevant changes in the topology of valence electron densities. We determined structural trends driven by metal-ligand coupling. This allowed us to suggest the improved scenario of chemical bonding in γ-CuI. In particular, the unconventional effect of spatial separation of metallic and covalent interactions was found to be very important with respect to the preferred arrangements of valence electrons in the iodination process. We rigorously showed that useful electronic and optical properties of γ-CuI originate from the combination of two separated bonding patterns—strong covalency established in I-Cu tetrahedral connections and noncovalent interactions of copper cores is caused by the 3d10 closed-shell electron configurations. The other finding of ours is that the self-consistency of the GW calculations is crucial for correctly determining the dynamic electronic correlations in γ-CuI. Detail reinvestigation of the quasi-particle energy structure by means of the self-consistent GW approach allowed us to explain how p-type electrical conductivity can be engineered in the material.

  5. Theory-driven intervention for changing personality: expectancy value theory, behavioral activation, and conscientiousness.

    PubMed

    Magidson, Jessica F; Roberts, Brent W; Collado-Rodriguez, Anahi; Lejuez, C W

    2014-05-01

    Considerable evidence suggests that personality traits may be changeable, raising the possibility that personality traits most linked to health problems can be modified with intervention. A growing body of research suggests that problematic personality traits may be altered with behavioral intervention using a bottom-up approach. That is, by targeting core behaviors that underlie personality traits with the goal of engendering new, healthier patterns of behavior that, over time, become automatized and manifest in changes in personality traits. Nevertheless, a bottom-up model for changing personality traits is somewhat diffuse and requires clearer integration of theory and relevant interventions to enable real clinical application. As such, this article proposes a set of guiding principles for theory-driven modification of targeted personality traits using a bottom-up approach, focusing specifically on targeting the trait of conscientiousness using a relevant behavioral intervention, Behavioral Activation (BA), considered within the motivational framework of expectancy value theory (EVT). We conclude with a real case example of the application of BA to alter behaviors counter to conscientiousness in a substance-dependent patient, highlighting the EVT principles most relevant to the approach and the importance and viability of a theoretically driven, bottom-up approach to changing personality traits. (PsycINFO Database Record (c) 2014 APA, all rights reserved).

  6. Tautomers of Gas-Phase Erythrose and Their Interconversion Reactions: Insights from High-Level ab Initio Study.

    PubMed

    Szczepaniak, Marek; Moc, Jerzy

    2015-11-05

    D-Erythrose is a C4 monosaccharide with a biological and potential astrobiological relevance. We have investigated low-energy structures of d-erythrose and their interconversion in the gas phase with the highest-level calculations up-to-date. We have identified a number of structurally distinct furanose and open-chain isomers and predicted α ↔ α and β ↔ β furanose interconversion pathways involving the O-H rotamers. We have estimated relative Gibbs free energies of the erythrose species based on the CCSD(T)/aug-cc-pVTZ electronic energies and MP2/aug-cc-pVTZ vibrational frequencies. By using natural bond orbital theory we have also quantified a stabilization of erythrose conformers and interconversion transition states by intramolecular H-bonds.

  7. Exploring the free energy surface using ab initio molecular dynamics

    DOE PAGES

    Samanta, Amit; Morales, Miguel A.; Schwegler, Eric

    2016-04-22

    Efficient exploration of the configuration space and identification of metastable structures are challenging from both computational as well as algorithmic perspectives. Here, we extend the recently proposed orderparameter aided temperature accelerated sampling schemes to efficiently and systematically explore free energy surfaces, and search for metastable states and reaction pathways within the framework of density functional theory based molecular dynamics. The sampling method is applied to explore the relevant parts of the configuration space in prototypical materials SiO 2 and Ti to identify the different metastable structures corresponding to different phases in these materials. In addition, we use the string methodmore » in collective variables to study the melting pathways in the high pressure cotunnite phase of SiO 2 and the hcp to fcc phase transition in Ti.« less

  8. Critical Theory and Everyday Educational Life.

    ERIC Educational Resources Information Center

    Taxel, Joel

    This paper discusses the relevance of the neo-Marxist perspective (critical theory) to educational theory and practice, with partictular emphasis on the implications of this perspective for educational researchers and educators involved in teacher education programs. For purposes of comparative analysis, it also provides a brief overview of basic…

  9. Symmetries for Galileons and DBI scalars on curved space

    DOE PAGES

    Goon, Garrett; Hinterbichler, Kurt; Trodden, Mark

    2011-07-08

    We introduced a general class of four-dimensional effective field theories which include curved space Galileons and DBI theories possessing nonlinear shift-like symmetries. These effective theories arise from purely gravitational actions and may prove relevant to the cosmology of both the early and late universe.

  10. Learning Theories and Assessment Methodologies--An Engineering Educational Perspective

    ERIC Educational Resources Information Center

    Hassan, O. A. B.

    2011-01-01

    This paper attempts to critically review theories of learning from the perspective of engineering education in order to align relevant assessment methods with each respective learning theory, considering theoretical aspects and practical observations and reflections. The role of formative assessment, taxonomies, peer learning and educational…

  11. Gender and Moral Education.

    ERIC Educational Resources Information Center

    Scott, Kathryn P.

    Because of widespread acceptance of Kohlberg's theory of moral development other aspects of moral thinking and behavior linked with the feminine voice have not received attention. Four areas of Kohlberg's theory relevant to the gender issue are critiqued, and work by Carol Gilligan, suggesting alternative theories for thinking and behavior, is…

  12. Transport theory and fluid dynamics

    NASA Astrophysics Data System (ADS)

    Greenberg, W.; Zweifel, P. F.

    We report progress in various areas of applied mathematics relevant to transport theory under the subjects: abstract transport theory, explicit transport models and computation, and fluid dynamics. We present a brief review of progress during the past year and personnel supported, and we indicate the direction of our future research.

  13. Game Theory .net.

    ERIC Educational Resources Information Center

    Shor, Mikhael

    2003-01-01

    States making game theory relevant and accessible to students is challenging. Describes the primary goal of GameTheory.net is to provide interactive teaching tools. Indicates the site strives to unite educators from economics, political and computer science, and ecology by providing a repository of lecture notes and tests for courses using…

  14. Perspectives on Rhetorical History: Aristotle's Rhetorical Theory.

    ERIC Educational Resources Information Center

    Markham, Reed

    The most important historical theory of persuasion is Aristotelian Rhetorical Theory. Aristotle's work, "The Rhetoric," is divided into three books, each of which discuss principles relevant to persuasion. Book One establishes the philosophical position of rhetoric to logic; establishes the purposes of rhetoric; discusses three types of…

  15. Multi-scale Methods in Quantum Field Theory

    NASA Astrophysics Data System (ADS)

    Polyzou, W. N.; Michlin, Tracie; Bulut, Fatih

    2018-05-01

    Daubechies wavelets are used to make an exact multi-scale decomposition of quantum fields. For reactions that involve a finite energy that take place in a finite volume, the number of relevant quantum mechanical degrees of freedom is finite. The wavelet decomposition has natural resolution and volume truncations that can be used to isolate the relevant degrees of freedom. The application of flow equation methods to construct effective theories that decouple coarse and fine scale degrees of freedom is examined.

  16. Using theories of behaviour change to inform interventions for addictive behaviours.

    PubMed

    Webb, Thomas L; Sniehotta, Falko F; Michie, Susan

    2010-11-01

    This paper reviews a set of theories of behaviour change that are used outside the field of addiction and considers their relevance for this field. Ten theories are reviewed in terms of (i) the main tenets of each theory, (ii) the implications of the theory for promoting change in addictive behaviours and (iii) studies in the field of addiction that have used the theory. An augmented feedback loop model based on Control Theory is used to organize the theories and to show how different interventions might achieve behaviour change. Briefly, each theory provided the following recommendations for intervention: Control Theory: prompt behavioural monitoring, Goal-Setting Theory: set specific and challenging goals, Model of Action Phases: form 'implementation intentions', Strength Model of Self-Control: bolster self-control resources, Social Cognition Models (Protection Motivation Theory, Theory of Planned Behaviour, Health Belief Model): modify relevant cognitions, Elaboration Likelihood Model: consider targets' motivation and ability to process information, Prototype Willingness Model: change perceptions of the prototypical person who engages in behaviour and Social Cognitive Theory: modify self-efficacy. There are a range of theories in the field of behaviour change that can be applied usefully to addiction, each one pointing to a different set of modifiable determinants and/or behaviour change techniques. Studies reporting interventions should describe theoretical basis, behaviour change techniques and mode of delivery accurately so that effective interventions can be understood and replicated. © 2010 The Authors. Journal compilation © 2010 Society for the Study of Addiction.

  17. The Road to Culturally Relevant Science: Exploring How Teachers Navigate Change in Pedagogy

    ERIC Educational Resources Information Center

    Johnson, Carla C.

    2011-01-01

    In this study, two middle-school teachers who participated in a professional development program utilizing the transformative professional development (TPD) model are followed as they embarked upon becoming culturally relevant science teachers of Hispanic students. Using Ladson-Billings (1994) theory of culturally relevant pedagogy, teacher…

  18. Dual Language Teachers' Stated Barriers to Implementation of Culturally Relevant Pedagogy

    ERIC Educational Resources Information Center

    Freire, Juan A.; Valdez, Verónica E.

    2017-01-01

    Culturally relevant pedagogy receives limited attention in many U.S. dual language classrooms. This article focuses on understanding the barriers eight elementary Spanish-English dual language teachers saw as preventing the implementation of culturally relevant pedagogy in their urban classrooms. Employing critical sociocultural theory and drawing…

  19. Beyond terrestrial biology: charting the chemical universe of α-amino acid structures.

    PubMed

    Meringer, Markus; Cleaves, H James; Freeland, Stephen J

    2013-11-25

    α-Amino acids are fundamental to biochemistry as the monomeric building blocks with which cells construct proteins according to genetic instructions. However, the 20 amino acids of the standard genetic code represent a tiny fraction of the number of α-amino acid chemical structures that could plausibly play such a role, both from the perspective of natural processes by which life emerged and evolved, and from the perspective of human-engineered genetically coded proteins. Until now, efforts to describe the structures comprising this broader set, or even estimate their number, have been hampered by the complex combinatorial properties of organic molecules. Here, we use computer software based on graph theory and constructive combinatorics in order to conduct an efficient and exhaustive search of the chemical structures implied by two careful and precise definitions of the α-amino acids relevant to coded biological proteins. Our results include two virtual libraries of α-amino acid structures corresponding to these different approaches, comprising 121 044 and 3 846 structures, respectively, and suggest a simple approach to exploring much larger, as yet uncomputed, libraries of interest.

  20. Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structures

    NASA Astrophysics Data System (ADS)

    Tonmunphean, Somsak; Kokpol, Sirirat; Parasuk, Vudhichai; Wolschann, Peter; Winger, Rudolf H.; Liedl, Klaus R.; Rode, Bernd M.

    1998-07-01

    Based on the belief that structural optimization methods, producing structures more closely to the experimental ones, should give better, i.e. more relevant, steric fields and hence more predictive CoMFA models, comparative molecular field analyses of artemisinin derivatives were performed based on semiempirical AM1 and HF/3-21G optimized geometries. Using these optimized geometries, the CoMFA results derived from the HF/3-21G method are found to be usually but not drastically better than those from AM1. Additional calculations were performed to investigate the electrostatic field difference using the Gasteiger and Marsili charges, the electrostatic potential fit charges at the AM1 level, and the natural population analysis charges at the HF/3-21G level of theory. For the HF/3-21G optimized structures no difference in predictability was observed, whereas for AM1 optimized structures such differences were found. Interestingly, if ionic compounds are omitted, differences between the various HF/3-21G optimized structure models using these electrostatic fields were found.

  1. Learned predictiveness training modulates biases towards using boundary or landmark cues during navigation

    PubMed Central

    Buckley, Matthew G.; Smith, Alastair D.; Haselgrove, Mark

    2015-01-01

    A number of navigational theories state that learning about landmark information should not interfere with learning about shape information provided by the boundary walls of an environment. A common test of such theories has been to assess whether landmark information will overshadow, or restrict, learning about shape information. Whilst a number of studies have shown that landmarks are not able to overshadow learning about shape information, some have shown that landmarks can, in fact, overshadow learning about shape information. Given the continued importance of theories that grant the shape information that is provided by the boundary of an environment a special status during learning, the experiments presented here were designed to assess whether the relative salience of shape and landmark information could account for the discrepant results of overshadowing studies. In Experiment 1, participants were first trained that either the landmarks within an arena (landmark-relevant), or the shape information provided by the boundary walls of an arena (shape-relevant), were relevant to finding a hidden goal. In a subsequent stage, when novel landmark and shape information were made relevant to finding the hidden goal, landmarks dominated behaviour for those given landmark-relevant training, whereas shape information dominated behaviour for those given shape-relevant training. Experiment 2, which was conducted without prior relevance training, revealed that the landmark cues, unconditionally, dominated behaviour in our task. The results of the present experiments, and the conflicting results from previous overshadowing experiments, are explained in terms of associative models that incorporate an attention variant. PMID:25409751

  2. Transition probability spaces in loop quantum gravity

    NASA Astrophysics Data System (ADS)

    Guo, Xiao-Kan

    2018-03-01

    We study the (generalized) transition probability spaces, in the sense of Mielnik and Cantoni, for spacetime quantum states in loop quantum gravity. First, we show that loop quantum gravity admits the structures of transition probability spaces. This is exemplified by first checking such structures in covariant quantum mechanics and then identifying the transition probability spaces in spin foam models via a simplified version of general boundary formulation. The transition probability space thus defined gives a simple way to reconstruct the discrete analog of the Hilbert space of the canonical theory and the relevant quantum logical structures. Second, we show that the transition probability space and in particular the spin foam model are 2-categories. Then we discuss how to realize in spin foam models two proposals by Crane about the mathematical structures of quantum gravity, namely, the quantum topos and causal sites. We conclude that transition probability spaces provide us with an alternative framework to understand various foundational questions of loop quantum gravity.

  3. Social cognition in schizophrenia: Factor structure of emotion processing and theory of mind.

    PubMed

    Browne, Julia; Penn, David L; Raykov, Tenko; Pinkham, Amy E; Kelsven, Skylar; Buck, Benjamin; Harvey, Philip D

    2016-08-30

    Factor analytic studies examining social cognition in schizophrenia have yielded inconsistent results most likely due to the varying number and quality of measures. With the recent conclusion of Phase 3 of the Social Cognition Psychometric Evaluation (SCOPE) Study, the most psychometrically sound measures of social cognition have been identified. Therefore, the aims of the present study were to: 1) examine the factor structure of social cognition in schizophrenia through the utilization of psychometrically sound measures, 2) examine the stability of the factor structure across two study visits, 3) compare the factor structure of social cognition in schizophrenia to that in healthy controls, and 4) examine the relationship between the factors and relevant outcome measures including social functioning and symptoms. Results supported a one-factor model for the patient and healthy control samples at both visits. This single factor was significantly associated with negative symptoms in the schizophrenia sample and with social functioning in both groups at both study visits. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  4. Impact Mechanics

    NASA Astrophysics Data System (ADS)

    Stronge, W. J.

    2004-03-01

    Impact mechanics is concerned with the reaction forces that develop during a collision and the dynamic response of structures to these reaction forces. The subject has a wide range of engineering applications, from designing sports equipment to improving the crashworthiness of automobiles. This book develops several different methodologies for analysing collisions between structures. These range from rigid body theory for structures that are stiff and compact, to vibration and wave analyses for flexible structures. The emphasis is on low-speed impact where damage is local to the small region of contact between the colliding bodies. The analytical methods presented give results that are more robust or less sensitive to initial conditions than have been achieved hitherto. As a text, Impact Mechanics builds upon foundation courses in dynamics and strength of materials. It includes numerous industrially relevant examples and end-of-chapter homework problems drawn from industry and sports. Practising engineers will also find the methods presented in this book useful in calculating the response of a mechanical system to impact.

  5. Revealing lithium-silicide phase transformations in nano-structured silicon-based lithium ion batteries via in situ NMR spectroscopy.

    PubMed

    Ogata, K; Salager, E; Kerr, C J; Fraser, A E; Ducati, C; Morris, A J; Hofmann, S; Grey, C P

    2014-01-01

    Nano-structured silicon anodes are attractive alternatives to graphitic carbons in rechargeable Li-ion batteries, owing to their extremely high capacities. Despite their advantages, numerous issues remain to be addressed, the most basic being to understand the complex kinetics and thermodynamics that control the reactions and structural rearrangements. Elucidating this necessitates real-time in situ metrologies, which are highly challenging, if the whole electrode structure is studied at an atomistic level for multiple cycles under realistic cycling conditions. Here we report that Si nanowires grown on a conducting carbon-fibre support provide a robust model battery system that can be studied by (7)Li in situ NMR spectroscopy. The method allows the (de)alloying reactions of the amorphous silicides to be followed in the 2nd cycle and beyond. In combination with density-functional theory calculations, the results provide insight into the amorphous and amorphous-to-crystalline lithium-silicide transformations, particularly those at low voltages, which are highly relevant to practical cycling strategies.

  6. Social cognition in schizophrenia: Factor structure of emotion processing and theory of mind

    PubMed Central

    Browne, Julia; Penn, David L.; Raykov, Tenko; Pinkham, Amy E.; Kelsven, Skylar; Buck, Benjamin; Harvey, Philip D.

    2018-01-01

    Factor analytic studies examining social cognition in schizophrenia have yielded inconsistent results most likely due to the varying number and quality of measures. With the recent conclusion of Phase 3 of the Social Cognition Psychometric Evaluation (SCOPE) Study, the most psychometrically sound measures of social cognition have been identified. Therefore, the aims of the present study were to: 1) examine the factor structure of social cognition in schizophrenia through the utilization of psychometrically sound measures, 2) examine the stability of the factor structure across two study visits, 3) compare the factor structure of social cognition in schizophrenia to that in healthy controls, and 4) examine the relationship between the factors and relevant outcome measures including social functioning and symptoms. Results supported a one-factor model for the patient and healthy control samples at both visits. This single factor was significantly associated with negative symptoms in the schizophrenia sample and with social functioning in both groups at both study visits. PMID:27280525

  7. A Value-Based Hierarchy of Objectives for Military Decision-Making

    DTIC Science & Technology

    1991-09-01

    r"EHICS, ZECISION MAKING, DECISION THEORY ,ý LEADERSHIP , 101 LEAERSHIP TRAINIING) ` ~16. PRICI CODE 17. SfCURITY CLA SIPIATIOW 18. SECURITY...29, Just- War Theory ................ I..............30 Jus ad bellum............................ .32 Jus in bello.................33...professional competence, and elements of just war theory such as proportionality and discrimination. A review of the relevant literature on just war theory

  8. Leadership Behaviors at Air War College

    DTIC Science & Technology

    1998-04-01

    study has primarily focused on three areas: traits, behaviors, and situational approaches.2 Traits Leadership trait theory addresses specific traits...behavior theory has been prominent for thirty years5; however, more recently situational leadership theories have received primary attention... leadership traits, skills, or behaviors which are relevant.7 This theory is useful to this study because the situation may translate to where one’s level

  9. Moral Judgment and Its Relation to Second-Order Theory of Mind

    ERIC Educational Resources Information Center

    Fu, Genyue; Xiao, Wen S.; Killen, Melanie; Lee, Kang

    2014-01-01

    Recent research indicates that moral judgment and 1st-order theory of mind abilities are related. What is not known, however, is how 2nd-order theory of mind is related to moral judgment. In the present study, we extended previous findings by administering a morally relevant theory of mind task (an accidental transgressor) to 4- to 7-year-old…

  10. Explicit-Implicit Distinction: A Review of Related Literature

    ERIC Educational Resources Information Center

    Jarrah, Marwan A.

    2016-01-01

    This paper sketches out the main views of the major pragmatic approaches (i.e., Grice's theory of conversation, Relevance Theory, and Neo-Gricean pragmatic theory) on explicit-implicit distinction. It makes clear how this distinction has been differently drawn for utterance interpretation. Additionally, it highlights several corresponding problems…

  11. Stochastic game theory: for playing games, not just for doing theory.

    PubMed

    Goeree, J K; Holt, C A

    1999-09-14

    Recent theoretical advances have dramatically increased the relevance of game theory for predicting human behavior in interactive situations. By relaxing the classical assumptions of perfect rationality and perfect foresight, we obtain much improved explanations of initial decisions, dynamic patterns of learning and adjustment, and equilibrium steady-state distributions.

  12. Introduction to Educational Leadership & Organizational Behavior: Theory into Practice.

    ERIC Educational Resources Information Center

    Chance, Patti L.; Chance, Edward W.

    This book was written for the student-practitioner. It introduces organizational and leadership theories that are especially relevant to educational administration programs that prepare students for school and district leadership roles. It begins with a historical overview of organizational theory, in chapter 1, to provide a framework for…

  13. Applied Linguistics: The Challenge of Theory

    ERIC Educational Resources Information Center

    McNamara, Tim

    2015-01-01

    Language has featured prominently in contemporary social theory, but the relevance of this fact to the concerns of Applied Linguistics, with its necessary orientation to practical issues of language in context, represents an ongoing challenge. This article supports the need for a greater engagement with theory in Applied Linguistics. It considers…

  14. Making Theory Relevant: The Gender Attitude and Belief Inventory

    ERIC Educational Resources Information Center

    McCabe, Janice

    2013-01-01

    This article describes and evaluates the Gender Attitude and Belief Inventory (GABI), a teaching tool designed to aid students in (a) realizing how sociological theory links to their personal beliefs and (b) exploring any combination of 11 frequently used theoretical perspectives on gender, including both conservative theories (physiological,…

  15. The Simple Theory of Public Library Services.

    ERIC Educational Resources Information Center

    Newhouse, Joseph P.

    A simple normative theory applicable to public library services was developed as a tool to aid libraries in answering the question: which books should be bought by the library? Although developed for normative purposes, the theory generates testable predictions. It is relevant to measuring benefits from services which are provided publicly because…

  16. Educational Leadership and Social Justice: Theory into Practice.

    ERIC Educational Resources Information Center

    Bogotch, Ira E.

    Connecting theory and practice to the moral use of power reveals why social justice, as an educational intervention, is relevant in every era. Social justice requires ongoing struggle and cannot be separated from the educational theories and practices of professionals, schools, academic disciplines, and governmental agents. Insights from John…

  17. The Basics: What's Essential about Theory for Community Development Practice?

    ERIC Educational Resources Information Center

    Hustedde, Ronald J.; Ganowicz, Jacek

    2002-01-01

    Relates three classical theories (structural functionalism, conflict theory, symbolic interactionism) to fundamental concerns of community development (structure, power, and shared meaning). Links these theories to Giddens' structuration theory, which connects macro and micro structures and community influence on change through cultural norms.…

  18. Saving Lives at Birth; development of a retrospective theory of change, impact framework and prioritised metrics.

    PubMed

    Lalli, Marek; Ruysen, Harriet; Blencowe, Hannah; Yee, Kristen; Clune, Karen; DeSilva, Mary; Leffler, Marissa; Hillman, Emily; El-Noush, Haitham; Mulligan, Jo; Murray, Jeffrey C; Silver, Karlee; Lawn, Joy E

    2018-01-29

    Grand Challenges for international health and development initiatives have received substantial funding to tackle unsolved problems; however, evidence of their effectiveness in achieving change is lacking. A theory of change may provide a useful tool to track progress towards desired outcomes. The Saving Lives at Birth partnership aims to address inequities in maternal-newborn survival through the provision of strategic investments for the development, testing and transition-to-scale of ground-breaking prevention and treatment approaches with the potential to leapfrog conventional healthcare approaches in low resource settings. We aimed to develop a theory of change and impact framework with prioritised metrics to map the initiative's contribution towards overall goals, and to measure progress towards improved outcomes around the time of birth. A theory of change and impact framework was developed retrospectively, drawing on expertise across the partnership and stakeholders. This included a document and literature review, and wide consultation, with feedback from stakeholders at all stages. Possible indicators were reviewed from global maternal-newborn health-related partner initiatives, priority indicator lists, and project indicators from current innovators. These indicators were scored across five domains to prioritise those most relevant and feasible for Saving Lives at Birth. These results informed the identification of the prioritised metrics for the initiative. The pathway to scale through Saving Lives at Birth is articulated through a theory of change and impact framework, which also highlight the roles of different actors involved in the programme. A prioritised metrics toolkit, including ten core impact indicators and five additional process indicators, complement the theory of change. The retrospective nature of this development enabled structured reflection of the program mechanics, allowing for inclusion of learning from the first four rounds of the program to inform implementation of subsequent rounds. While theories of change are more traditionally developed before program implementation, retrospective development can still be a useful exercise for multi-round programs like Saving Lives at Birth, where outputs from the development can be used to strengthen subsequent rounds. However, identifying a uniform set of prioritised metrics for use across the portfolio proved more challenging. Lessons learnt from this exercise will be relevant to the development of pathways to change across other Grand Challenges and global health platforms.

  19. Leadership through Shared Problem Solving.

    ERIC Educational Resources Information Center

    Muccigrosso, Robert M.

    1980-01-01

    The author explains the particular relevance of participatory decision making for the Catholic school administrator, with reference to such organizational theories as McGregor's Theory Y and Maslow's hierarchy of human needs. (Author/SJL)

  20. Validation of an educative manual for patients with head and neck cancer submitted to radiation therapy 1

    PubMed Central

    da Cruz, Flávia Oliveira de Almeida Marques; Ferreira, Elaine Barros; Vasques, Christiane Inocêncio; da Mata, Luciana Regina Ferreira; dos Reis, Paula Elaine Diniz

    2016-01-01

    Abstract Objective: develop the content and face validation of an educative manual for patients with head and neck cancer submitted to radiation therapy. Method: descriptive methodological research. The Theory of Psychometrics was used for the validation process, developed by 15 experts in the theme area of the educative manual and by two language and publicity professionals. A minimum agreement level of 80% was considered to guarantee the validity of the material. Results: the items addressed in the assessment tool of the educative manual were divided in three blocks: objectives, structure and format, and relevance. Only one item, related to the sociocultural level of the target public, obtained an agreement rate <80%, and was reformulated based on the participants' suggestions. All other items were considered appropriate and/or complete appropriate in the three blocks proposed: objectives - 92.38%, structure and form - 89.74%, and relevance - 94.44%. Conclusion: the face and content validation of the educative manual proposed were attended to. This can contribute to the understanding of the therapeutic process the head and neck cancer patient is submitted to during the radiation therapy, besides supporting clinical practice through the nursing consultation. PMID:27305178

  1. Theories, models and frameworks used in capacity building interventions relevant to public health: a systematic review.

    PubMed

    Bergeron, Kim; Abdi, Samiya; DeCorby, Kara; Mensah, Gloria; Rempel, Benjamin; Manson, Heather

    2017-11-28

    There is limited research on capacity building interventions that include theoretical foundations. The purpose of this systematic review is to identify underlying theories, models and frameworks used to support capacity building interventions relevant to public health practice. The aim is to inform and improve capacity building practices and services offered by public health organizations. Four search strategies were used: 1) electronic database searching; 2) reference lists of included papers; 3) key informant consultation; and 4) grey literature searching. Inclusion and exclusion criteria are outlined with included papers focusing on capacity building, learning plans, professional development plans in combination with tools, resources, processes, procedures, steps, model, framework, guideline, described in a public health or healthcare setting, or non-government, government, or community organizations as they relate to healthcare, and explicitly or implicitly mention a theory, model and/or framework that grounds the type of capacity building approach developed. Quality assessment were performed on all included articles. Data analysis included a process for synthesizing, analyzing and presenting descriptive summaries, categorizing theoretical foundations according to which theory, model and/or framework was used and whether or not the theory, model or framework was implied or explicitly identified. Nineteen articles were included in this review. A total of 28 theories, models and frameworks were identified. Of this number, two theories (Diffusion of Innovations and Transformational Learning), two models (Ecological and Interactive Systems Framework for Dissemination and Implementation) and one framework (Bloom's Taxonomy of Learning) were identified as the most frequently cited. This review identifies specific theories, models and frameworks to support capacity building interventions relevant to public health organizations. It provides public health practitioners with a menu of potentially usable theories, models and frameworks to support capacity building efforts. The findings also support the need for the use of theories, models or frameworks to be intentional, explicitly identified, referenced and for it to be clearly outlined how they were applied to the capacity building intervention.

  2. A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution

    NASA Astrophysics Data System (ADS)

    Krishnan, M.

    2017-05-01

    We present a model for calculating the net and effective electrical charge of globular macromolecules and linear polyelectrolytes such as proteins and DNA, given the concentration of monovalent salt and pH in solution. The calculation is based on a numerical solution of the non-linear Poisson-Boltzmann equation using a finite element discretized continuum approach. The model simultaneously addresses the phenomena of charge regulation and renormalization, both of which underpin the electrostatics of biomolecules in solution. We show that while charge regulation addresses the true electrical charge of a molecule arising from the acid-base equilibria of its ionizable groups, charge renormalization finds relevance in the context of a molecule's interaction with another charged entity. Writing this electrostatic interaction free energy in terms of a local electrical potential, we obtain an "interaction charge" for the molecule which we demonstrate agrees closely with the "effective charge" discussed in charge renormalization and counterion-condensation theories. The predictions of this model agree well with direct high-precision measurements of effective electrical charge of polyelectrolytes such as nucleic acids and disordered proteins in solution, without tunable parameters. Including the effective interior dielectric constant for compactly folded molecules as a tunable parameter, the model captures measurements of effective charge as well as published trends of pKa shifts in globular proteins. Our results suggest a straightforward general framework to model electrostatics in biomolecules in solution. In offering a platform that directly links theory and experiment, these calculations could foster a systematic understanding of the interrelationship between molecular 3D structure and conformation, electrical charge and electrostatic interactions in solution. The model could find particular relevance in situations where molecular crystal structures are not available or rapid, reliable predictions are desired.

  3. How Dentists Read a Technique Article: A Grounded Theory Investigation.

    PubMed

    Chambers, David W; Lyon, Lucinda J

    2017-12-01

    To conduct an empirical investigation using qualitative techniques of the way dentists engage in the process of reading a technique-oriented journal article and what they pay attention to in the process. Grounded theory was used to identify how dentists read an article describing the fabrication of an interim prosthesis in the esthetic zone. Twenty-one experienced practitioners were videotaped, and their verbatim reflections were coded. The sequence of attending to various features of the paper was noted. Ninety-five percent of readers voiced specific, multiple attempts to identify or refine the main purpose of the article as they processed the material. All readers engaged in various activities to navigate through the article, including skipping and backtracking, and none "read" the article straight through. All readers also made repeated observations about the relevance of the technique to their personal practice situation. Eighty percent used some form of "distancing," whereby the content and value of the article were accepted, but the reader reserved the privilege of not being bound by the results because of technical, sponsorship, or methodological issues that "might be present." The quality of photographs was accepted as a proxy for the quality of technical work performed. Dentists actively customized the reading of a journal article that described a technical procedure. They imposed a non-linear structure for absorbing information and a standard of personal relevance, and, while accepting the results, created reasons for not necessarily having to accept them as applicable. The approach clinicians use in reading a procedural article may be different from the structure writers use in preparing a paper. © 2016 by the American College of Prosthodontists.

  4. A Walk in Our Shoes: A Discussion of Relevance and Communication in Teacher Prep

    ERIC Educational Resources Information Center

    Goldman, Karen L.; Cardell, Melanie

    2013-01-01

    Relevance is discussed in light of 21st c. communication skills and relevance. How do these areas impact both the face-to-face and online candidates in the MAT and MAED programs to positively impact P-12 students? Relevance theory and communication in 21st c. is clarified for working in both face-to-face and online learning environments leading…

  5. Testing a theory of aircraft noise annoyance: a structural equation analysis.

    PubMed

    Kroesen, Maarten; Molin, Eric J E; van Wee, Bert

    2008-06-01

    Previous research has stressed the relevance of nonacoustical factors in the perception of aircraft noise. However, it is largely empirically driven and lacks a sound theoretical basis. In this paper, a theoretical model which explains noise annoyance based on the psychological stress theory is empirically tested. The model is estimated by applying structural equation modeling based on data from residents living in the vicinity of Amsterdam Airport Schiphol in The Netherlands. The model provides a good model fit and indicates that concern about the negative health effects of noise and pollution, perceived disturbance, and perceived control and coping capacity are the most important variables that explain noise annoyance. Furthermore, the model provides evidence for the existence of two reciprocal relationships between (1) perceived disturbance and noise annoyance and (2) perceived control and coping capacity and noise annoyance. Lastly, the model yielded two unexpected results. Firstly, the variables noise sensitivity and fear related to the noise source were unable to explain additional variance in the endogenous variables of the model and were therefore excluded from the model. And secondly, the size of the total effect of noise exposure on noise annoyance was relatively small. The paper concludes with some recommended directions for further research.

  6. A computational DFT study of structural transitions in textured solid-fluid interfaces

    NASA Astrophysics Data System (ADS)

    Yatsyshin, Petr; Parry, Andrew O.; Kalliadasis, Serafim

    2015-11-01

    Fluids adsorbed at walls, in capillary pores and slits, and in more exotic, sculpted geometries such as grooves and wedges can exhibit many new phase transitions, including wetting, pre-wetting, capillary-condensation and filling, compared to their bulk counterparts. As well as being of fundamental interest to the modern statistical mechanical theory of inhomogeneous fluids, these are also relevant to nanofluidics, chemical- and bioengineering. In this talk we will show using a microscopic Density Functional Theory (DFT) for fluids how novel, continuous, interfacial transitions associated with the first-order prewetting line, can occur on steps, in grooves and in wedges, that are sensitive to both the range of the intermolecular forces and interfacial fluctuation effects. These transitions compete with wetting, filling and condensation producing very rich phase diagrams even for relatively simple geometries. We will also discuss practical aspects of DFT calculations, and demonstrate how this statistical-mechanical framework is capable of yielding complex fluid structure, interfacial tensions, and regions of thermodynamic stability of various fluid configurations. As a side note, this demonstrates that DFT is an excellent tool for the investigations of complex multiphase systems. We acknowledge financial support from the European Research Council via Advanced Grant No. 247031.

  7. Non-perturbative RPA-method implemented in the Coulomb gauge QCD Hamiltonian: From quarks and gluons to baryons and mesons

    NASA Astrophysics Data System (ADS)

    Yepez-Martinez, Tochtli; Civitarese, Osvaldo; Hess, Peter O.

    2018-02-01

    Starting from an algebraic model based on the QCD-Hamiltonian and previously applied to study meson states, we have developed an extension of it in order to explore the structure of baryon states. In developing our approach we have adapted concepts taken from group theory and non-perturbative many-body methods to describe states built from effective quarks and anti-quarks degrees of freedom. As a Hamiltonian we have used the QCD Hamiltonian written in the Coulomb Gauge, and expressed it in terms of effective quark-antiquark, di-quarks and di-antiquark excitations. To gain some insights about the relevant interactions of quarks in hadronic states, the Hamiltonian was approximately diagonalized by mapping quark-antiquark pairs and di-quarks (di-antiquarks) onto phonon states. In dealing with the structure of the vacuum of the theory, color-scalar and color-vector states are introduced to account for ground-state correlations. While the use of a purely color-scalar ground state is an obvious choice, so that colorless hadrons contain at least three quarks, the presence of coupled color-vector pairs in the ground state allows for colorless excitations resulting from the action of color objects upon it.

  8. Principal shapes and squeezed limits in the effective field theory of large scale structure

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

    Bertolini, Daniele; Solon, Mikhail P., E-mail: dbertolini@lbl.gov, E-mail: mpsolon@lbl.gov

    2016-11-01

    We apply an orthogonalization procedure on the effective field theory of large scale structure (EFT of LSS) shapes, relevant for the angle-averaged bispectrum and non-Gaussian covariance of the matter power spectrum at one loop. Assuming natural-sized EFT parameters, this identifies a linear combination of EFT shapes—referred to as the principal shape—that gives the dominant contribution for the whole kinematic plane, with subdominant combinations suppressed by a few orders of magnitude. For the covariance, our orthogonal transformation is in excellent agreement with a principal component analysis applied to available data. Additionally we find that, for both observables, the coefficients of themore » principal shapes are well approximated by the EFT coefficients appearing in the squeezed limit, and are thus measurable from power spectrum response functions. Employing data from N-body simulations for the growth-only response, we measure the single EFT coefficient describing the angle-averaged bispectrum with Ο (10%) precision. These methods of shape orthogonalization and measurement of coefficients from response functions are valuable tools for developing the EFT of LSS framework, and can be applied to more general observables.« less

  9. Information content and acoustic structure of male African elephant social rumbles

    PubMed Central

    Stoeger, Angela S.; Baotic, Anton

    2016-01-01

    Until recently, the prevailing theory about male African elephants (Loxodonta africana) was that, once adult and sexually mature, males are solitary and targeted only at finding estrous females. While this is true during the state of ‘musth’ (a condition characterized by aggressive behavior and elevated androgen levels), ‘non-musth’ males exhibit a social system seemingly based on companionship, dominance and established hierarchies. Research on elephant vocal communication has so far focused on females, and very little is known about the acoustic structure and the information content of male vocalizations. Using the source and filter theory approach, we analyzed social rumbles of 10 male African elephants. Our results reveal that male rumbles encode information about individuality and maturity (age and size), with formant frequencies and absolute fundamental frequency values having the most informative power. This first comprehensive study on male elephant vocalizations gives important indications on their potential functional relevance for male-male and male-female communication. Our results suggest that, similar to the highly social females, future research on male elephant vocal behavior will reveal a complex communication system in which social knowledge, companionship, hierarchy, reproductive competition and the need to communicate over long distances play key roles. PMID:27273586

  10. The Psycho-Lexical Approach in Exploring the Field of Values: A Reply to Schwartz.

    PubMed

    Raad, Boele De; Timmerman, Marieke E; Morales-Vives, Fabia; Renner, Walter; Barelds, Dick P H; Pieter Van Oudenhoven, Jan

    2017-04-01

    We reply to each of the issues raised by Schwartz in a commentary on our article on a comparison of value taxonomies. We discuss two approaches, mentioned in that commentary, the lexical approach and the theory-driven approach, especially with respect to their capacities in covering the domain of values and with respect to the representation of important values in a useful structure. We refute the critique by Schwartz that the lexical approach is superfluous, because his theory "toward universals in values" would already cover all values, and that their mutual relationships are relevant to individuals around the globe. We explain the necessity and strength of the lexical approach in taxonomizing the value domain, both within and across languages. Furthermore, we argue that principal components analysis (PCA) and simultaneous component analysis (SCA) are most adequate in arriving at a satisfactory structuring of the great many values in terms of both underlying constructs and their facets. We point to a misrepresentation in Schwartz's circular model, and we review some misunderstandings on the side of Schwartz with respect to our results in comparison with those proceeding from his circular model.

  11. A constitutive theory of reacting electrolyte mixtures

    NASA Astrophysics Data System (ADS)

    Costa Reis, Martina; Wang, Yongqi; Bono Maurizio Sacchi Bassi, Adalberto

    2013-11-01

    A constitutive theory of reacting electrolyte mixtures is formulated. The intermolecular interactions among the constituents of the mixture are accounted for through additional freedom degrees to each constituent of the mixture. Balance equations for polar reacting continuum mixtures are accordingly formulated and a proper set of constitutive equations is derived with basis in the Müller-Liu formulation of the second law of thermodynamics. Moreover, the non-equilibrium and equilibrium responses of the reacting mixture are investigated in detail by emphasizing the inner and reactive structures of the medium. From the balance laws and constitutive relations, the effects of molecular structure of constituents upon the fluid flow are studied. It is also demonstrated that the local thermodynamic equilibrium state can be reached without imposing that the set of independent constitutive variables is time independent, neither spatially homogeneous nor null. The resulting constitutive relations presented throughout this work are of relevance to many practical applications, such as swelling of clays, developing of bio and polymeric membranes, and use of electrorheological fluids in industrial processes. The first author acknowledges financial support from National Counsel of Technological and Scientific Development (CNPq) and German Academic Exchange Service (DAAD).

  12. Surgeons' motivation for choice of workplace.

    PubMed

    Kähler, Lena; Kristiansen, Maria; Rudkjøbing, Andreas; Strandberg-Larsen, Martin

    2012-09-01

    To ensure qualified health care professionals at public hospitals in the future, it is important to understand which factors attract health care professionals to certain positions. The aim of this study was to explore motives for choosing employment at either public or private hospitals in a group of Danish surgeons, as well as to examine if organizational characteristics had an effect on motivation. Eight qualitative interviews were conducted with surgeons from both public and private hospitals sampled using the snowball method. The interviews were based on a semi-structured interview guide and analyzed by means of phenomenological theory. Motivational factors such as personal influence on the job, the opportunity to provide the best possible patient care, challenging work tasks colleagues, and ideological reasons were emphasized by the surgeons as important reasons for their choice of employment. Motivational factors appeared to be strongly connected to the structure of the organization; especially the size of the organization was perceived to be essential. It is worth noting that salary, in contrast to the general belief, was considered a secondary benefit rather than a primary motivational factor for employment. The study revealed that motivational factors are multidimensional and rooted in organizational structure; i.e. organizational size rather than whether the organization is public or private is crucial. There is a need for further research on the topic, but it seems clear that future health care planning may benefit from taking into account the implications that large organizational structures have for the staff working within these organizations. not relevant. not relevant.

  13. Surface states and annihilation characteristics of positrons trapped at the oxidized Cu(100) surface

    NASA Astrophysics Data System (ADS)

    Fazleev, N. G.; Weiss, A. H.

    2013-06-01

    In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. Oxidation of the Cu(100) surface has been studied by performing an ab-initio investigation of the stability and electronic structure of the Cu(100) missing row reconstructed surface at various on-surface and subsurface oxygen coverages ranging from 0.5 to 1.5 monolayers using density functional theory (DFT). All studied structures have been found to be energetically more favorable as compared to structures formed by purely on-surface oxygen adsorption. The observed decrease in the positron work function when oxygen atoms occupy on-surface and subsurface sites has been attributed to a significant charge redistribution within the first two layers, buckling effects within each layer and an interlayer expansion. The computed positron binding energy, positron surface state wave function, and annihilation probabilities of the surface trapped positrons with relevant core electrons demonstrate their sensitivity to oxygen coverage, atomic structure of the topmost layers of surfaces, and charge transfer effects. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). The results presented provide an explanation for the changes observed in the probability of annihilation of surface trapped positrons with Cu 3p core-level electrons as a function of annealing temperature.

  14. Theoretical Investigation of the Electronic Structure of Fe(II) Complexes at Spin-State Transitions

    PubMed Central

    2013-01-01

    The electronic structure relevant to low spin (LS)↔high spin (HS) transitions in Fe(II) coordination compounds with a FeN6 core are studied. The selected [Fe(tz)6]2+ (1) (tz = 1H-tetrazole), [Fe(bipy)3]2+ (2) (bipy = 2,2′-bipyridine), and [Fe(terpy)2]2+ (3) (terpy = 2,2′:6′,2″-terpyridine) complexes have been actively studied experimentally, and with their respective mono-, bi-, and tridentate ligands, they constitute a comprehensive set for theoretical case studies. The methods in this work include density functional theory (DFT), time-dependent DFT (TD-DFT), and multiconfigurational second order perturbation theory (CASPT2). We determine the structural parameters as well as the energy splitting of the LS–HS states (ΔEHL) applying the above methods and comparing their performance. We also determine the potential energy curves representing the ground and low-energy excited singlet, triplet, and quintet d6 states along the mode(s) that connect the LS and HS states. The results indicate that while DFT is well suited for the prediction of structural parameters, an accurate multiconfigurational approach is essential for the quantitative determination of ΔEHL. In addition, a good qualitative agreement is found between the TD-DFT and CASPT2 potential energy curves. Although the TD-DFT results might differ in some respect (in our case, we found a discrepancy at the triplet states), our results suggest that this approach, with due care, is very promising as an alternative for the very expensive CASPT2 method. Finally, the two-dimensional (2D) potential energy surfaces above the plane spanned by the two relevant configuration coordinates in [Fe(terpy)2]2+ were computed at both the DFT and CASPT2 levels. These 2D surfaces indicate that the singlet–triplet and triplet–quintet states are separated along different coordinates, i.e., different vibration modes. Our results confirm that in contrast to the case of complexes with mono- and bidentate ligands, the singlet–quintet transitions in [Fe(terpy)2]2+ cannot be described using a single configuration coordinate. PMID:25821416

  15. Influence of surface interactions on folding and forced unbinding of semiflexible chains.

    PubMed

    Barsegov, V; Thirumalai, D

    2005-11-24

    We have investigated the folding and forced unbinding transitions of adsorbed semiflexible polymer chains using theory and simulations. These processes describe, at an elementary level, a number of biologically relevant phenomena that include adhesive interactions between proteins and tethering of receptors to cell walls. The binding interface is modeled as a solid surface, and the wormlike chain (WLC) is used for the semiflexible chain (SC). Using Langevin simulations, in the overdamped limit we examine the ordering kinetics of racquet-like and toroidal structures in the presence of an attractive interaction between the surface and the polymer chain. For a range of interactions, temperature, and the persistence length, l(p), we obtained the monomer density distribution, n(x), (x is the perpendicular distance of a tagged chain end from the surface) for all of the relevant morphologies. There is a single peak in n(x) inside the range of attractive forces, b, for chains in the extended conformations, whereas in racquet and toroidal structures there is an additional peak at x approximately b. The simulated results for n(x) are in good agreement with theory. The formation of toroids on the surface appears to be a first-order transition as evidenced by the bimodal distribution in n(x). The theoretical result underestimates the simulated n(x) for x < b and follows n(x) closely for x >/= b; the calculated density agrees exactly with n(x) in the range x < b. The chain-surface interaction is probed by subjecting the surface structures to a pulling force, f. The average extension, x( f), as a function of f exhibits a sigmoidal profile with sharp all-or-none transition at the unfolding force threshold f = f(c) which increases for more structured states. Simulated x(f) compare well with the theoretical predictions. The critical force, f(c), is a function of l(s)/l(c) for a fixed temperature, where l(c) and l(s) are the length scales that express the strength of the intramolecular and SC-surface attraction, respectively. For a fixed l(s), f(c) increases as l(p) decreases.

  16. Using evaluation theory in priority setting and resource allocation.

    PubMed

    Smith, Neale; Mitton, Craig; Cornelissen, Evelyn; Gibson, Jennifer; Peacock, Stuart

    2012-01-01

    Public sector interest in methods for priority setting and program or policy evaluation has grown considerably over the last several decades, given increased expectations for accountable and efficient use of resources and emphasis on evidence-based decision making as a component of good management practice. While there has been some occasional effort to conduct evaluation of priority setting projects, the literatures around priority setting and evaluation have largely evolved separately. In this paper, the aim is to bring them together. The contention is that evaluation theory is a means by which evaluators reflect upon what it is they are doing when they do evaluation work. Theories help to organize thinking, sort out relevant from irrelevant information, provide transparent grounds for particular implementation choices, and can help resolve problematic issues which may arise in the conduct of an evaluation project. A detailed review of three major branches of evaluation theory--methods, utilization, and valuing--identifies how such theories can guide the development of efforts to evaluate priority setting and resource allocation initiatives. Evaluation theories differ in terms of their guiding question, anticipated setting or context, evaluation foci, perspective from which benefits are calculated, and typical methods endorsed. Choosing a particular theoretical approach will structure the way in which any priority setting process is evaluated. The paper suggests that explicitly considering evaluation theory makes key aspects of the evaluation process more visible to all stakeholders, and can assist in the design of effective evaluation of priority setting processes; this should iteratively serve to improve the understanding of priority setting practices themselves.

  17. Treatment of adolescent sexual offenders: theory-based practice.

    PubMed

    Sermabeikian, P; Martinez, D

    1994-11-01

    The treatment of adolescent sexual offenders (ASO) has its theoretical underpinnings in social learning theory. Although social learning theory has been frequently cited in literature, a comprehensive application of this theory, as applied to practice, has not been mapped out. The social learning and social cognitive theories of Bandura appear to be particularly relevant to the group treatment of this population. The application of these theories to practice, as demonstrated in a program model, is discussed as a means of demonstrating how theory-driven practice methods can be developed.

  18. Justice and medical ethics.

    PubMed

    Gillon, R

    1985-07-20

    Justice, in the sense of fair adjudication between conflicting claims, is held to be relevant to a wide range of issues in medical ethics. Several differing concepts of justice are briefly described, including Aristotle's formal principle of justice, libertarian theories, utilitarian theories, Marxist theories, the theory of John Rawls, and the view--held, for example, by W.D. Ross--that justice is essentially a matter of reward for individual merit.

  19. Focus Article: Theoretical aspects of vapor/gas nucleation at structured surfaces

    NASA Astrophysics Data System (ADS)

    Meloni, Simone; Giacomello, Alberto; Casciola, Carlo Massimo

    2016-12-01

    Heterogeneous nucleation is the preferential means of formation of a new phase. Gas and vapor nucleation in fluids under confinement or at textured surfaces is central for many phenomena of technological relevance, such as bubble release, cavitation, and biological growth. Understanding and developing quantitative models for nucleation is the key to control how bubbles are formed and to exploit them in technological applications. An example is the in silico design of textured surfaces or particles with tailored nucleation properties. However, despite the fact that gas/vapor nucleation has been investigated for more than one century, many aspects still remain unclear and a quantitative theory is still lacking; this is especially true for heterogeneous systems with nanoscale corrugations, for which experiments are difficult. The objective of this focus article is analyzing the main results of the last 10-20 years in the field, selecting few representative works out of this impressive body of the literature, and highlighting the open theoretical questions. We start by introducing classical theories of nucleation in homogeneous and in simple heterogeneous systems and then discuss their extension to complex heterogeneous cases. Then we describe results from recent theories and computer simulations aimed at overcoming the limitations of the simpler theories by considering explicitly the diffuse nature of the interfaces, atomistic, kinetic, and inertial effects.

  20. Combining Theory-Driven Evaluation and Causal Loop Diagramming for Opening the 'Black Box' of an Intervention in the Health Sector: A Case of Performance-Based Financing in Western Uganda.

    PubMed

    Renmans, Dimitri; Holvoet, Nathalie; Criel, Bart

    2017-09-03

    Increased attention on "complexity" in health systems evaluation has resulted in many different methodological responses. Theory-driven evaluations and systems thinking are two such responses that aim for better understanding of the mechanisms underlying given outcomes. Here, we studied the implementation of a performance-based financing intervention by the Belgian Technical Cooperation in Western Uganda to illustrate a methodological strategy of combining these two approaches. We utilized a systems dynamics tool called causal loop diagramming (CLD) to generate hypotheses feeding into a theory-driven evaluation. Semi-structured interviews were conducted with 30 health workers from two districts (Kasese and Kyenjojo) and with 16 key informants. After CLD, we identified three relevant hypotheses: "success to the successful", "growth and underinvestment", and "supervision conundrum". The first hypothesis leads to increasing improvements in performance, as better performance leads to more incentives, which in turn leads to better performance. The latter two hypotheses point to potential bottlenecks. Thus, the proposed methodological strategy was a useful tool for identifying hypotheses that can inform a theory-driven evaluation. The hypotheses are represented in a comprehensible way while highlighting the underlying assumptions, and are more easily falsifiable than hypotheses identified without using CLD.

  1. The relevance of the early history of probability theory to current risk assessment practices in mental health care.

    PubMed

    Large, Matthew

    2013-12-01

    Probability theory is at the base of modern concepts of risk assessment in mental health. The aim of the current paper is to review the key developments in the early history of probability theory in order to enrich our understanding of current risk assessment practices.

  2. A Selected Review of the Underpinnings of Ethics for Human Performance Technology Professionals--Part One: Key Ethical Theories and Research.

    ERIC Educational Resources Information Center

    Dean, Peter J.

    1993-01-01

    Provides a review of the key ethical theories and relevant empirical research relating to the practice of human performance technology. Topics addressed include ethics, morals, business ethics, ethics officers, empiricism versus normative ethical theory, consequentialism, utilitarianism, nonconsequentialism, Kohlberg model of cognitive moral…

  3. Towards a theory of stochastic vorticity-augmentation. [tornado model

    NASA Technical Reports Server (NTRS)

    Liu, V. C.

    1977-01-01

    A new hypothesis to account for the formation of tornadoes is presented. An elementary one-dimensional theory is formulated for vorticity transfer between an ambient sheared wind and a transverse penetrating jet. The theory points out the relevant quantities to be determined in describing the present stochastic mode of vorticity augmentation.

  4. Human Capital Formation in the Gulf and MENA Region.

    ERIC Educational Resources Information Center

    Shaw, Ken E.

    2001-01-01

    Recent developments in human capital formation theories are particularly relevant to the Gulf and Middle Eastern and North African regions. Discusses recent western reconfigurations of the theory, noting how much local work must be done to reshape theory appropriately in the Middle East and explaining how issues relating to employment, education,…

  5. Rona's Story and the Theory of Symbolic Interactionism

    ERIC Educational Resources Information Center

    Naveh, Nissan

    2010-01-01

    This article presents a method for teaching the theory of symbolic interactionism in a high-school course--Introduction to Sociology. The role-playing game used as a method for teaching the theory is grounded on a philosophy of education whose principles call for meaningful and relevant learning, based on experiential activity and investigation of…

  6. Lack of Set Theory Relevant Prerequisite Knowledge

    ERIC Educational Resources Information Center

    Dogan-Dunlap, Hamide

    2006-01-01

    Many students struggle with college mathematics topics due to a lack of mastery of prerequisite knowledge. Set theory language is one such prerequisite for linear algebra courses. Many students' mistakes on linear algebra questions reveal a lack of mastery of set theory knowledge. This paper reports the findings of a qualitative analysis of a…

  7. Scientific Reasoning: Theory Evidence Coordination in Physics-Based and Non-Physics-Based Tasks

    ERIC Educational Resources Information Center

    Ibrahim, Bashirah; Ding, Lin; Mollohan, Katherine N.; Stammen, Andria

    2016-01-01

    Scientific reasoning is crucial to any scientific discipline. One sub-skill particularly relevant to the scientific enterprise is theory evidence coordination. This study, underpinned by Kuhn's framework for scientific reasoning, investigates how university students coordinate their self-generated theory and evidence in a physics topic (energy)…

  8. Theories of Counseling: Their Relevancy to Non-Traditional Students.

    ERIC Educational Resources Information Center

    Gutierrez, George A.

    This report presents theories in counseling not merely as abstract thoughts, but as beliefs and proposed procedures to follow in helping a client when he/she has difficulties coping with life. Four main counseling theories are then described: (1) Client-Centered Counseling (Carl Rogers); (2) Rational-Emotive Therapy (Albert Ellis); (3) Reality…

  9. Finding regions of interest in pathological images: an attentional model approach

    NASA Astrophysics Data System (ADS)

    Gómez, Francisco; Villalón, Julio; Gutierrez, Ricardo; Romero, Eduardo

    2009-02-01

    This paper introduces an automated method for finding diagnostic regions-of-interest (RoIs) in histopathological images. This method is based on the cognitive process of visual selective attention that arises during a pathologist's image examination. Specifically, it emulates the first examination phase, which consists in a coarse search for tissue structures at a "low zoom" to separate the image into relevant regions.1 The pathologist's cognitive performance depends on inherent image visual cues - bottom-up information - and on acquired clinical medicine knowledge - top-down mechanisms -. Our pathologist's visual attention model integrates the latter two components. The selected bottom-up information includes local low level features such as intensity, color, orientation and texture information. Top-down information is related to the anatomical and pathological structures known by the expert. A coarse approximation to these structures is achieved by an oversegmentation algorithm, inspired by psychological grouping theories. The algorithm parameters are learned from an expert pathologist's segmentation. Top-down and bottom-up integration is achieved by calculating a unique index for each of the low level characteristics inside the region. Relevancy is estimated as a simple average of these indexes. Finally, a binary decision rule defines whether or not a region is interesting. The method was evaluated on a set of 49 images using a perceptually-weighted evaluation criterion, finding a quality gain of 3dB when comparing to a classical bottom-up model of attention.

  10. Principal fiber bundle description of number scaling for scalars and vectors: application to gauge theory

    NASA Astrophysics Data System (ADS)

    Benioff, Paul

    2015-05-01

    The purpose of this paper is to put the description of number scaling and its effects on physics and geometry on a firmer foundation, and to make it more understandable. A main point is that two different concepts, number and number value are combined in the usual representations of number structures. This is valid as long as just one structure of each number type is being considered. It is not valid when different structures of each number type are being considered. Elements of base sets of number structures, considered by themselves, have no meaning. They acquire meaning or value as elements of a number structure. Fiber bundles over a space or space time manifold, M, are described. The fiber consists of a collection of many real or complex number structures and vector space structures. The structures are parameterized by a real or complex scaling factor, s. A vector space at a fiber level, s, has, as scalars, real or complex number structures at the same level. Connections are described that relate scalar and vector space structures at both neighbor M locations and at neighbor scaling levels. Scalar and vector structure valued fields are described and covariant derivatives of these fields are obtained. Two complex vector fields, each with one real and one imaginary field, appear, with one complex field associated with positions in M and the other with position dependent scaling factors. A derivation of the covariant derivative for scalar and vector valued fields gives the same vector fields. The derivation shows that the complex vector field associated with scaling fiber levels is the gradient of a complex scalar field. Use of these results in gauge theory shows that the imaginary part of the vector field associated with M positions acts like the electromagnetic field. The physical relevance of the other three fields, if any, is not known.

  11. A structural model of polyglutamine determined from a host-guest method combining experiments and landscape theory.

    PubMed

    Finke, John M; Cheung, Margaret S; Onuchic, José N

    2004-09-01

    Modeling the structure of natively disordered peptides has proved difficult due to the lack of structural information on these peptides. In this work, we use a novel application of the host-guest method, combining folding theory with experiments, to model the structure of natively disordered polyglutamine peptides. Initially, a minimalist molecular model (C(alpha)C(beta)) of CI2 is developed with a structurally based potential and captures many of the folding properties of CI2 determined from experiments. Next, polyglutamine "guest" inserts of increasing length are introduced into the CI2 "host" model and the polyglutamine is modeled to match the resultant change in CI2 thermodynamic stability between simulations and experiments. The polyglutamine model that best mimics the experimental changes in CI2 thermodynamic stability has 1), a beta-strand dihedral preference and 2), an attractive energy between polyglutamine atoms 0.75-times the attractive energy between the CI2 host Go-contacts. When free-energy differences in the CI2 host-guest system are correctly modeled at varying lengths of polyglutamine guest inserts, the kinetic folding rates and structural perturbation of these CI2 insert mutants are also correctly captured in simulations without any additional parameter adjustment. In agreement with experiments, the residues showing structural perturbation are located in the immediate vicinity of the loop insert. The simulated polyglutamine loop insert predominantly adopts extended random coil conformations, a structural model consistent with low resolution experimental methods. The agreement between simulation and experimental CI2 folding rates, CI2 structural perturbation, and polyglutamine insert structure show that this host-guest method can select a physically realistic model for inserted polyglutamine. If other amyloid peptides can be inserted into stable protein hosts and the stabilities of these host-guest mutants determined, this novel host-guest method may prove useful to determine structural preferences of these intractable but biologically relevant protein fragments.

  12. U(v) in metal uranates: A combined experimental and theoretical study of MgUO 4, CrUO 4, and FeUO 4

    DOE PAGES

    Guo, Xiaofeng; Tiferet, Eitan; Qi, Liang; ...

    2016-01-01

    Although pentavalent uranium can exist in aqueous solution, its presence in the solid state is uncommon. Metal monouranates, MgUO 4, CrUO 4 and FeUO 4 were synthesized for detailed structural and energetic investigations. Structural characteristics of these uranates used powder X-ray diffraction, synchrotron X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, and 57Fe-Mossbauer spectroscopy. Enthalpies of formation were measured by high temperature oxide melt solution calorimetry. Density functional theory (DFT) calculations provided both structural and energetic information. The measured structural and thermodynamic properties show good consistency with those predicted from DFT. The presence of U 5+ has been solidly confirmed in CrUOmore » 4 and FeUO 4, which are thermodynamically stable compounds, and the origin and stability of U 5+ in the system was elaborated by DFT. Lastly, the structural and thermodynamic behaviour of U 5+ elucidated in this work is relevant to fundamental actinide redox chemistry and to applications in the nuclear industry and radioactive waste disposal.« less

  13. 3D local structure around copper site of rabbit prion-related protein: Quantitative determination by XANES spectroscopy combined with multiple-scattering calculations

    NASA Astrophysics Data System (ADS)

    Cui, P. X.; Lian, F. L.; Wang, Y.; Wen, Yi; Chu, W. S.; Zhao, H. F.; Zhang, S.; Li, J.; Lin, D. H.; Wu, Z. Y.

    2014-02-01

    Prion-related protein (PrP), a cell-surface copper-binding glycoprotein, is considered to be responsible for a number of transmissible spongiform encephalopathies (TSEs). The structural conversion of PrP from the normal cellular isoform (PrPC) to the post-translationally modified form (PrPSc) is thought to be relevant to Cu2+ binding to histidine residues. Rabbits are one of the few mammalian species that appear to be resistant to TSEs, because of the structural characteristics of the rabbit prion protein (RaPrPC) itself. Here we determined the three-dimensional local structure around the C-terminal high-affinity copper-binding sites using X-ray absorption near-edge structure combined with ab initio calculations in the framework of the multiple-scattering (MS) theory. Result shows that two amino acid resides, Gln97 and Met108, and two histidine residues, His95 and His110, are involved in binding this copper(II) ion. It might help us understand the roles of copper in prion conformation conversions, and the molecular mechanisms of prion-involved diseases.

  14. Fear of cancer recurrence: a theoretical review and its relevance for clinical presentation and management.

    PubMed

    Simonelli, Laura E; Siegel, Scott D; Duffy, Nicole M

    2017-10-01

    There is increasing recognition of the unique physical and psychosocial concerns of the growing population of cancer survivors. An emerging literature demonstrates that fear of cancer recurrence (FCR) is a problematic long-term and late effect for cancer survivors. In fact, FCR is a top concern, and this article provides a necessary synthesis of the extant research evidence and theory. Literature searches were conducted using databases including MEDLINE and PsychINFO using specified search terms including 'fear of recurrence' and 'worry about recurrence'. A comprehensive narrative review summarizes early empirical findings on FCR including current definitions, assessment tools, clinical presentations, quality of life impact, prevalence, trajectory and risk factors. This paper also critically reviews the relevant theoretical frameworks to best understand these findings and considers multiple psychosocial treatment models that may have relevance for addressing FCR in the clinical setting. There is evidence of substantial prevalence and quality of life impact of FCR. Several theories (e.g. self-regulation model of illness, a family-based model, uncertainty in illness theory, social-cognitive processing theory, terror management theory) directly or indirectly help conceptualize FCR and inform potential treatment options for those with clinically significant distress or impairment resulting from FCR. Further investigation into FCR is warranted to promote evidence-based care for this significant cancer survivorship concern. Copyright © 2016 John Wiley & Sons, Ltd.

  15. Recognizing and responding to uncertainty: a grounded theory of nurses' uncertainty.

    PubMed

    Cranley, Lisa A; Doran, Diane M; Tourangeau, Ann E; Kushniruk, Andre; Nagle, Lynn

    2012-08-01

    There has been little research to date exploring nurses' uncertainty in their practice. Understanding nurses' uncertainty is important because it has potential implications for how care is delivered. The purpose of this study is to develop a substantive theory to explain how staff nurses experience and respond to uncertainty in their practice. Between 2006 and 2008, a grounded theory study was conducted that included in-depth semi-structured interviews. Fourteen staff nurses working in adult medical-surgical intensive care units at two teaching hospitals in Ontario, Canada, participated in the study. The theory recognizing and responding to uncertainty characterizes the processes through which nurses' uncertainty manifested and how it was managed. Recognizing uncertainty involved the processes of assessing, reflecting, questioning, and/or being unable to predict aspects of the patient situation. Nurses' responses to uncertainty highlighted the cognitive-affective strategies used to manage uncertainty. Study findings highlight the importance of acknowledging uncertainty and having collegial support to manage uncertainty. The theory adds to our understanding the processes involved in recognizing uncertainty, strategies and outcomes of managing uncertainty, and influencing factors. Tailored nursing education programs should be developed to assist nurses in developing skills in articulating and managing their uncertainty. Further research is needed to extend, test and refine the theory of recognizing and responding to uncertainty to develop strategies for managing uncertainty. This theory advances the nursing perspective of uncertainty in clinical practice. The theory is relevant to nurses who are faced with uncertainty and complex clinical decisions, to managers who support nurses in their clinical decision-making, and to researchers who investigate ways to improve decision-making and care delivery. ©2012 Sigma Theta Tau International.

  16. Moving From Static to Dynamic Models of the Onset of Mental Disorder: A Review.

    PubMed

    Nelson, Barnaby; McGorry, Patrick D; Wichers, Marieke; Wigman, Johanna T W; Hartmann, Jessica A

    2017-05-01

    In recent years, there has been increased focus on subthreshold stages of mental disorders, with attempts to model and predict which individuals will progress to full-threshold disorder. Given this research attention and the clinical significance of the issue, this article analyzes the assumptions of the theoretical models in the field. Psychiatric research into predicting the onset of mental disorder has shown an overreliance on one-off sampling of cross-sectional data (ie, a snapshot of clinical state and other risk markers) and may benefit from taking dynamic changes into account in predictive modeling. Cross-disciplinary approaches to complex system structures and changes, such as dynamical systems theory, network theory, instability mechanisms, chaos theory, and catastrophe theory, offer potent models that can be applied to the emergence (or decline) of psychopathology, including psychosis prediction, as well as to transdiagnostic emergence of symptoms. Psychiatric research may benefit from approaching psychopathology as a system rather than as a category, identifying dynamics of system change (eg, abrupt vs gradual psychosis onset), and determining the factors to which these systems are most sensitive (eg, interpersonal dynamics and neurochemical change) and the individual variability in system architecture and change. These goals can be advanced by testing hypotheses that emerge from cross-disciplinary models of complex systems. Future studies require repeated longitudinal assessment of relevant variables through either (or a combination of) micro-level (momentary and day-to-day) and macro-level (month and year) assessments. Ecological momentary assessment is a data collection technique appropriate for micro-level assessment. Relevant statistical approaches are joint modeling and time series analysis, including metric-based and model-based methods that draw on the mathematical principles of dynamical systems. This next generation of prediction studies may more accurately model the dynamic nature of psychopathology and system change as well as have treatment implications, such as introducing a means of identifying critical periods of risk for mental state deterioration.

  17. Quantum mechanics study of the hydroxyethylamines-BACE-1 active site interaction energies

    NASA Astrophysics Data System (ADS)

    Gueto-Tettay, Carlos; Drosos, Juan Carlos; Vivas-Reyes, Ricardo

    2011-06-01

    The identification of BACE-1, a key enzyme in the production of Amyloid-β (Aβ) peptides, generated by the proteolytic processing of amyloid precursor protein, was a major advance in the field of Alzheimer's disease as this pathology is characterized by the presence of extracellular senile plaques, mainly comprised of Aβ peptides. Hydroxyethylamines have demonstrated a remarkable potential, like candidate drugs, for this disease using BACE-1 as target. Density Functional Theory calculations were employed to estimate interaction energies for the complexes formed between the hydroxyethylamine derivated inhibitors and 24 residues in the BACE-1 active site. The collected data offered not only a general but a particular quantitative description that gives a deep insight of the interactions in the active site, showing at the same time how ligand structural variations affect them. Polar interactions are the major energetic contributors for complex stabilization and those ones with charged aspartate residues are highlighted, as they contribute over 90% of the total attractive interaction energy. Ligand-ARG296 residue interaction reports the most repulsive value and decreasing of the magnitude of this repulsion can be a key feature for the design of novel and more potent BACE-1 inhibitors. Also it was explained why sultam derivated BACE-1 inhibitors are better ones than lactam based. Hydrophobic interactions concentrated at S1 zone and other relevant repulsions and attractions were also evaluated. The comparison of two different theory levels (X3LYP and M062X) allowed to confirm the relevance of the detected interactions as each theory level has its own strength to depict the forces involved, as is the case of M062X which is better describing the hydrophobic interactions. Those facts were also evaluated and confirmed by comparing the quantitative trend, of selected ligand-residue interactions, with MP2 theory level as reference standard method for electrostatic plus dispersion energies.

  18. Quantum mechanics study of the hydroxyethylamines-BACE-1 active site interaction energies.

    PubMed

    Gueto-Tettay, Carlos; Drosos, Juan Carlos; Vivas-Reyes, Ricardo

    2011-06-01

    The identification of BACE-1, a key enzyme in the production of Amyloid-β (Aβ) peptides, generated by the proteolytic processing of amyloid precursor protein, was a major advance in the field of Alzheimer's disease as this pathology is characterized by the presence of extracellular senile plaques, mainly comprised of Aβ peptides. Hydroxyethylamines have demonstrated a remarkable potential, like candidate drugs, for this disease using BACE-1 as target. Density Functional Theory calculations were employed to estimate interaction energies for the complexes formed between the hydroxyethylamine derivated inhibitors and 24 residues in the BACE-1 active site. The collected data offered not only a general but a particular quantitative description that gives a deep insight of the interactions in the active site, showing at the same time how ligand structural variations affect them. Polar interactions are the major energetic contributors for complex stabilization and those ones with charged aspartate residues are highlighted, as they contribute over 90% of the total attractive interaction energy. Ligand-ARG296 residue interaction reports the most repulsive value and decreasing of the magnitude of this repulsion can be a key feature for the design of novel and more potent BACE-1 inhibitors. Also it was explained why sultam derivated BACE-1 inhibitors are better ones than lactam based. Hydrophobic interactions concentrated at S1 zone and other relevant repulsions and attractions were also evaluated. The comparison of two different theory levels (X3LYP and M062X) allowed to confirm the relevance of the detected interactions as each theory level has its own strength to depict the forces involved, as is the case of M062X which is better describing the hydrophobic interactions. Those facts were also evaluated and confirmed by comparing the quantitative trend, of selected ligand-residue interactions, with MP2 theory level as reference standard method for electrostatic plus dispersion energies.

  19. Presurgery resting-state local graph-theory measures predict neurocognitive outcomes after brain surgery in temporal lobe epilepsy.

    PubMed

    Doucet, Gaelle E; Rider, Robert; Taylor, Nathan; Skidmore, Christopher; Sharan, Ashwini; Sperling, Michael; Tracy, Joseph I

    2015-04-01

    This study determined the ability of resting-state functional connectivity (rsFC) graph-theory measures to predict neurocognitive status postsurgery in patients with temporal lobe epilepsy (TLE) who underwent anterior temporal lobectomy (ATL). A presurgical resting-state functional magnetic resonance imaging (fMRI) condition was collected in 16 left and 16 right TLE patients who underwent ATL. In addition, patients received neuropsychological testing pre- and postsurgery in verbal and nonverbal episodic memory, language, working memory, and attention domains. Regarding the functional data, we investigated three graph-theory properties (local efficiency, distance, and participation), measuring segregation, integration and centrality, respectively. These measures were only computed in regions of functional relevance to the ictal pathology, or the cognitive domain. Linear regression analyses were computed to predict the change in each neurocognitive domain. Our analyses revealed that cognitive outcome was successfully predicted with at least 68% of the variance explained in each model, for both TLE groups. The only model not significantly predictive involved nonverbal episodic memory outcome in right TLE. Measures involving the healthy hippocampus were the most common among the predictors, suggesting that enhanced integration of this structure with the rest of the brain may improve cognitive outcomes. Regardless of TLE group, left inferior frontal regions were the best predictors of language outcome. Working memory outcome was predicted mostly by right-sided regions, in both groups. Overall, the results indicated our integration measure was the most predictive of neurocognitive outcome. In contrast, our segregation measure was the least predictive. This study provides evidence that presurgery rsFC measures may help determine neurocognitive outcomes following ATL. The results have implications for refining our understanding of compensatory reorganization and predicting cognitive outcome after ATL. The results are encouraging with regard to the clinical relevance of using graph-theory measures in presurgical algorithms in the setting of TLE. Wiley Periodicals, Inc. © 2015 International League Against Epilepsy.

  20. Screening and vaccination as determined by the Social Ecological Model and the Theory of Triadic Influence: a systematic review.

    PubMed

    Nyambe, Anayawa; Van Hal, Guido; Kampen, Jarl K

    2016-11-17

    Vaccination and screening are forms of primary and secondary prevention methods. These methods are recommended for controlling the spread of a vast number of diseases and conditions. To determine the most effective preventive methods to be used by a society, multi-level models have shown to be more effective than models that focus solely on individual level characteristics. The Social Ecological Model (SEM) and the Theory of Triadic Influence (TTI) are such models. The purpose of this systematic review was to identify main differences and similarities of SEM and TTI regarding screening and vaccination in order to prepare potentially successful prevention programs for practice. A systematic review was conducted. Separate literature searches were performed during January and February 2015 using Medline, Ovid, Proquest, PubMed, University of Antwerp Discovery Service and Web of Science, for articles that apply the SEM and TTI. A Data Extraction Form with mostly closed-end questions was developed to assist with data extraction. Aggregate descriptive statistics were utilized to summarize the general characteristics of the SEM and TTI as documented in the scientific literature. A total of 290 potentially relevant articles referencing the SEM were found. As for the TTI, a total of 131 potentially relevant articles were found. After strict evaluation for inclusion and exclusion criteria, 40 SEM studies and 46 TTI studies were included in the systematic review. The SEM and TTI are theoretical frameworks that share many theoretical concepts and are relevant for several types of health behaviors. However, they differ in the structure of the model, and in how the variables are thought to interact with each other, the TTI being a matrix while the SEM has a ring structure. The main difference consists of the division of the TTI into levels of causation (ultimate, distal and proximal) which are not considered within the levels of the SEM. It was further found that in the articles studied in this systematic review, both models are often considered effective, while the empirical basis of these (and other) conclusions reached by their authors is in many cases unclear or incompletely specified.

  1. A combined theoretical and Cambridge Structural Database study of π-hole pnicogen bonding complexes between electron rich molecules and both nitro compounds and inorganic bromides (YO2Br, Y = N, P, and As).

    PubMed

    Bauzá, Antonio; Ramis, Rafael; Frontera, Antonio

    2014-04-17

    Quantum calculations at the DFT-D3/def2-TZVPD level of theory have been used to examine complexes between O2YBr (Y═N, P, and As) molecules and several Lewis bases, that is, NH3, H2O, and HF. The interactions of the lone pair of the ammonia, water, and hydrogen fluoride with the σ-hole and π-hole of O2YBr molecules have been considered. In general, the complexes where the Lewis base lone pair interacts with the π-hole are more favorable than those with σ-hole. The nature of the interactions has been characterized with the Bader theory of atoms in molecules (AIM). We have also studied the ability of trifluoronitromethane and nitromethane to interact with anions using their π-hole along with an analysis the Cambridge Structural Database. We have found a large number of hits that provide strong experimental support for ability of the nitryl (-NO2) group to interact with anions and Lewis bases. In some X-ray structures, the π-hole interaction is crucial in the crystal packing and has a strong influence in the solid state architecture of the complexes. Finally, due to the relevance in atmospheric chemistry, we have studied noncovalent σ/π-hole complexes of nitryl bromide with ozone.

  2. Harnessing user generated multimedia content in the creation of collaborative classification structures and retrieval learning games

    NASA Astrophysics Data System (ADS)

    Borchert, Otto Jerome

    This paper describes a software tool to assist groups of people in the classification and identification of real world objects called the Classification, Identification, and Retrieval-based Collaborative Learning Environment (CIRCLE). A thorough literature review identified current pedagogical theories that were synthesized into a series of five tasks: gathering, elaboration, classification, identification, and reinforcement through game play. This approach is detailed as part of an included peer reviewed paper. Motivation is increased through the use of formative and summative gamification; getting points completing important portions of the tasks and playing retrieval learning based games, respectively, which is also included as a peer-reviewed conference proceedings paper. Collaboration is integrated into the experience through specific tasks and communication mediums. Implementation focused on a REST-based client-server architecture. The client is a series of web-based interfaces to complete each of the tasks, support formal classroom interaction through faculty accounts and student tracking, and a module for peers to help each other. The server, developed using an in-house JavaMOO platform, stores relevant project data and serves data through a series of messages implemented as a JavaScript Object Notation Application Programming Interface (JSON API). Through a series of two beta tests and two experiments, it was discovered the second, elaboration, task requires considerable support. While students were able to properly suggest experiments and make observations, the subtask involving cleaning the data for use in CIRCLE required extra support. When supplied with more structured data, students were enthusiastic about the classification and identification tasks, showing marked improvement in usability scores and in open ended survey responses. CIRCLE tracks a variety of educationally relevant variables, facilitating support for instructors and researchers. Future work will revolve around material development, software refinement, and theory building. Curricula, lesson plans, instructional materials need to be created to seamlessly integrate CIRCLE in a variety of courses. Further refinement of the software will focus on improving the elaboration interface and developing further game templates to add to the motivation and retrieval learning aspects of the software. Data gathered from CIRCLE experiments can be used to develop and strengthen theories on teaching and learning.

  3. The erotic in film and in mass psychology.

    PubMed

    Kernberg, O F

    1994-01-01

    The medium of film offers a vivid demonstration of the ongoing tension between conventional morality and mature, passionate love. While film activates mass psychology and therefore conventionality, the erotic in film threatens conventional boundaries. The dialectic thus involved in erotic art in film, the conventional film, and pornography sheds light on the unconscious motivations for accepting or rejecting the erotic. The author highlights relevant psychoanalytic theories to help formulate the nature of the erotic in film as well as the structures of the erotic film, the conventional film, and pornography. After discussing several examples, he concludes that both the conventional film and pornography are unconscious allies in opposing mature, passionate love.

  4. FAST TRACK COMMUNICATION: Attosecond correlation dynamics during electron tunnelling from molecules

    NASA Astrophysics Data System (ADS)

    Walters, Zachary B.; Smirnova, Olga

    2010-08-01

    In this communication, we present an analytical theory of strong-field ionization of molecules, which takes into account the rearrangement of multiple interacting electrons during the ionization process. We show that such rearrangement offers an alternative pathway to the ionization of orbitals more deeply bound than the highest occupied molecular orbital. This pathway is not subject to the full exponential suppression characteristic of direct tunnel ionization from the deeper orbitals. The departing electron produces an 'attosecond correlation pulse' which controls the rearrangement during the tunnelling process. The shape and duration of this pulse are determined by the electronic structure of the relevant states, molecular orientation and laser parameters.

  5. Flame propagation in two-dimensional solids: Particle-resolved studies with complex plasmas

    NASA Astrophysics Data System (ADS)

    Yurchenko, S. O.; Yakovlev, E. V.; Couëdel, L.; Kryuchkov, N. P.; Lipaev, A. M.; Naumkin, V. N.; Kislov, A. Yu.; Ovcharov, P. V.; Zaytsev, K. I.; Vorob'ev, E. V.; Morfill, G. E.; Ivlev, A. V.

    2017-10-01

    Using two-dimensional (2D) complex plasmas as an experimental model system, particle-resolved studies of flame propagation in classical 2D solids are carried out. Combining experiments, theory, and molecular dynamics simulations, we demonstrate that the mode-coupling instability operating in 2D complex plasmas reveals all essential features of combustion, such as an activated heat release, two-zone structure of the self-similar temperature profile ("flame front"), as well as thermal expansion of the medium and temperature saturation behind the front. The presented results are of relevance for various fields ranging from combustion and thermochemistry, to chemical physics and synthesis of materials.

  6. Understanding parenting in Manitoba First nations: implications for program development.

    PubMed

    Eni, Rachel; Rowe, Gladys

    2011-01-01

    This qualitative study introduced the "Manitoba First Nation Strengthening Families Maternal Child Health Pilot Project" program and evaluation methodologies. The study provided a knowledge base for programmers, evaluators, and communities to develop relevant health promotion, prevention, and intervention programming to assist in meeting health needs of pregnant women and young families. Sixty-five open-ended, semistructured interviews were completed in 13 communities. Data analysis was through grounded theory. Three major themes emerged from the data: interpersonal support and relationships; socioeconomic factors; and community initiatives. Complex structural, historical events compromise parenting; capacity and resilience are supported through informal and formal health and social supports.

  7. Chiapas' Delayed Entry into the International Labour Market: A Story of Peasant Isolation, Exploitation, and Coercion.

    PubMed

    Davis, Jason; Eakin, Hallie

    2013-06-01

    This manuscript presents a synthetic view of Chiapas' migration history over the last century through a thorough examination of relevant English and Spanish-language literature sources. Unlike most Mexican states, Chiapas did not heavily rely upon migration, especially international migration, as an economic strategy until very recently. The reasons that underlie Chiapas' late adoption of economic migration include socio-political and economic structural factors that shaped rural and agrarian policy and demographic trends. This paper evaluates these structural factors with regards to several migration theories to assist our understanding of how and why Chiapans were prevented or discouraged from leaving their native communities. The paper concludes by detailing the perfect cascade of climatic, demographic, economic and political factors that ultimately forced Chiapans to resort to international migration as a major economic diversification strategy.

  8. IRMPD Spectroscopy Sheds New (Infrared) Light on the Sulfate Pattern of Carbohydrates.

    PubMed

    Schindler, B; Barnes, L; Gray, C J; Chambert, S; Flitsch, S L; Oomens, J; Daniel, R; Allouche, A R; Compagnon, I

    2017-03-16

    IR spectroscopy of gas-phase ions is proposed to resolve positional isomers of sulfated carbohydrates. Mass spectrometric fingerprints and gas-phase vibrational spectra in the near and mid-IR regions were obtained for sulfated monosaccharides, yielding unambiguous signatures of sulfated isomers. We report the first systematic exploration of the biologically relevant but notoriously challenging deprotonated state in the near IR region. Remarkably, anions displayed very atypical vibrational profiles, which challenge the well-established DFT (Density Functionnal Theory) modeling. The proposed approach was used to elucidate the sulfate patterns in glycosaminoglycans, a ubiquitous class of mammalian carbohydrates, which is regarded as a major challenge in carbohydrate structural analysis. Isomeric glycosaminoglycan disaccharides from heparin and chondroitin sources were resolved, highlighting the potential of infrared multiple photon dissociation spectroscopy as a novel structural tool for carbohydrates.

  9. Structure of the SnO2(110 ) -(4 ×1 ) Surface

    NASA Astrophysics Data System (ADS)

    Merte, Lindsay R.; Jørgensen, Mathias S.; Pussi, Katariina; Gustafson, Johan; Shipilin, Mikhail; Schaefer, Andreas; Zhang, Chu; Rawle, Jonathan; Nicklin, Chris; Thornton, Geoff; Lindsay, Robert; Hammer, Bjørk; Lundgren, Edvin

    2017-09-01

    Using surface x-ray diffraction (SXRD), quantitative low-energy electron diffraction (LEED), and density-functional theory (DFT) calculations, we have determined the structure of the (4 ×1 ) reconstruction formed by sputtering and annealing of the SnO2(110 ) surface. We find that the reconstruction consists of an ordered arrangement of Sn3O3 clusters bound atop the bulk-terminated SnO2(110 ) surface. The model was found by application of a DFT-based evolutionary algorithm with surface compositions based on SXRD, and shows excellent agreement with LEED and with previously published scanning tunneling microscopy measurements. The model proposed previously consisting of in-plane oxygen vacancies is thus shown to be incorrect, and our result suggests instead that Sn(II) species in interstitial positions are the more relevant features of reduced SnO2(110 ) surfaces.

  10. Chiapas’ Delayed Entry into the International Labour Market: A Story of Peasant Isolation, Exploitation, and Coercion

    PubMed Central

    Eakin, Hallie

    2015-01-01

    This manuscript presents a synthetic view of Chiapas’ migration history over the last century through a thorough examination of relevant English and Spanish-language literature sources. Unlike most Mexican states, Chiapas did not heavily rely upon migration, especially international migration, as an economic strategy until very recently. The reasons that underlie Chiapas’ late adoption of economic migration include socio-political and economic structural factors that shaped rural and agrarian policy and demographic trends. This paper evaluates these structural factors with regards to several migration theories to assist our understanding of how and why Chiapans were prevented or discouraged from leaving their native communities. The paper concludes by detailing the perfect cascade of climatic, demographic, economic and political factors that ultimately forced Chiapans to resort to international migration as a major economic diversification strategy. PMID:25685638

  11. Building a middle-range theory of free public healthcare seeking in sub-Saharan Africa: a realist review

    PubMed Central

    Robert, Emilie; Samb, Oumar Mallé; Marchal, Bruno; Ridde, Valéry

    2017-01-01

    Abstract Realist reviews are a new form of knowledge synthesis aimed at providing middle-range theories (MRTs) that specify how interventions work, for which populations, and under what circumstances. This approach opens the ‘black box’ of an intervention by showing how it triggers mechanisms in specific contexts to produce outcomes. We conducted a realist review of health user fee exemption policies (UFEPs) in sub-Saharan Africa (SSA). This article presents how we developed both the intervention theory (IT) of UFEPs and a MRT of free public healthcare seeking in SSA, building on Sen’s capability approach. Over the course of this iterative process, we explored theoretical writings on healthcare access, services use, and healthcare seeking behaviour. We also analysed empirical studies on UFEPs and healthcare access in free care contexts. According to the IT, free care at the point of delivery is a resource allowing users to make choices about their use of public healthcare services, choices previously not generally available to them. Users’ ability to choose to seek free care is influenced by structural, local, and individual conversion factors. We tested this IT on 69 empirical studies selected on the basis of their scientific rigor and relevance to the theory. From that analysis, we formulated a MRT on seeking free public healthcare in SSA. It highlights three key mechanisms in users’ choice to seek free public healthcare: trust, risk awareness and acceptability. Contextual elements that influence both users’ ability and choice to seek free care include: availability of and control over resources at the individual level; characteristics of users’ and providers’ communities at the local level; and health system organization, governance and policies at the structural level. PMID:28520961

  12. Statistical Contact Model for Confined Molecules

    NASA Astrophysics Data System (ADS)

    Santamaria, Ruben; de la Paz, Antonio Alvarez; Roskop, Luke; Adamowicz, Ludwik

    2016-08-01

    A theory that describes in a realistic form a system of atoms under the effects of temperature and confinement is presented. The theory departs from a Lagrangian of the Zwanzig type and contains the main ingredients for describing a system of atoms immersed in a heat bath that is also formed by atoms. The equations of motion are derived according to Lagrangian mechanics. The application of statistical mechanics to describe the bulk effects greatly reduces the complexity of the equations. The resultant equations of motion are of the Langevin type with the viscosity and the temperature of the heat reservoir able to influence the trajectories of the particles. The pressure effects are introduced mechanically by using a container with an atomic structure immersed in the heat bath. The relevant variables that determine the equation of state are included in the formulation. The theory is illustrated by the derivation of the equation of state for a system with 76 atoms confined inside of a 180-atom fullerene-like cage that is immersed in fluid forming the heat bath at a temperature of 350 K and with the friction coefficient of 3.0 {ps}^{-1}. The atoms are of the type believed to form the cores of the Uranus and Neptune planets. The dynamic and the static pressures of the confined system are varied in the 3-5 KBar and 2-30 MBar ranges, respectively. The formulation can be equally used to analyze chemical reactions under specific conditions of pressure and temperature, determine the structure of clusters with their corresponding equation of state, the conditions for hydrogen storage, etc. The theory is consistent with the principles of thermodynamics and it is intrinsically ergodic, of general use, and the first of this kind.

  13. Toward a Theory of User-Based Relevance: A Call for a New Paradigm of Inquiry.

    ERIC Educational Resources Information Center

    Park, Taemin Kim

    1994-01-01

    Discusses the need to develop the concept of user-based relevance for the benefit of users and for the meaningful development of future research in information retrieval. Characteristics of users' criteria of relevance are examined; and research methodology models are considered, including naturalistic inquiry versus scientific, or rationalistic,…

  14. The Relevance of Aggression and the Aggression of Relevance: The Rise of the Accreditation Marketing Machine

    ERIC Educational Resources Information Center

    Lowrie, Anthony

    2008-01-01

    Purpose: The purpose of this paper is to illustrate how language functions to construct relevance at moments of articulation and how language functions as an aggressive marketing practice to promote a self-regulated (production-oriented) system of accreditation. Design/methodology/approach: Drawing on the political theory of Laclau and Lacanian…

  15. Surfing a spike wave down the ventral stream.

    PubMed

    VanRullen, Rufin; Thorpe, Simon J

    2002-10-01

    Numerous theories of neural processing, often motivated by experimental observations, have explored the computational properties of neural codes based on the absolute or relative timing of spikes in spike trains. Spiking neuron models and theories however, as well as their experimental counterparts, have generally been limited to the simulation or observation of isolated neurons, isolated spike trains, or reduced neural populations. Such theories would therefore seem inappropriate to capture the properties of a neural code relying on temporal spike patterns distributed across large neuronal populations. Here we report a range of computer simulations and theoretical considerations that were designed to explore the possibilities of one such code and its relevance for visual processing. In a unified framework where the relation between stimulus saliency and spike relative timing plays the central role, we describe how the ventral stream of the visual system could process natural input scenes and extract meaningful information, both rapidly and reliably. The first wave of spikes generated in the retina in response to a visual stimulation carries information explicitly in its spatio-temporal structure: the most salient information is represented by the first spikes over the population. This spike wave, propagating through a hierarchy of visual areas, is regenerated at each processing stage, where its temporal structure can be modified by (i). the selectivity of the cortical neurons, (ii). lateral interactions and (iii). top-down attentional influences from higher order cortical areas. The resulting model could account for the remarkable efficiency and rapidity of processing observed in the primate visual system.

  16. Establishing a conceptual framework for handoffs using communication theory.

    PubMed

    Mohorek, Matthew; Webb, Travis P

    2015-01-01

    A significant consequence of the 2003 Accreditation Council for Graduate Medical Education duty hour restrictions has been the dramatic increase in patient care handoffs. Ineffective handoffs have been identified as the third most common cause of medical error. However, research into health care handoffs lacks a unifying foundational structure. We sought to identify a conceptual framework that could be used to critically analyze handoffs. A scholarly review focusing on communication theory as a possible conceptual framework for handoffs was conducted. A PubMed search of published handoff research was also performed, and the literature was analyzed and matched to the most relevant theory for health care handoff models. The Shannon-Weaver Linear Model of Communication was identified as the most appropriate conceptual framework for health care handoffs. The Linear Model describes communication as a linear process. A source encodes a message into a signal, the signal is sent through a channel, and the signal is decoded back into a message at the destination, all in the presence of internal and external noise. The Linear Model identifies 3 separate instances in handoff communication where error occurs: the transmitter (message encoding), channel, and receiver (signal decoding). The Linear Model of Communication is a suitable conceptual framework for handoff research and provides a structured approach for describing handoff variables. We propose the Linear Model should be used as a foundation for further research into interventions to improve health care handoffs. Copyright © 2015 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.

  17. A Social-Ecological Framework of Theory, Assessment, and Prevention of Suicide

    PubMed Central

    Cramer, Robert J.; Kapusta, Nestor D.

    2017-01-01

    The juxtaposition of increasing suicide rates with continued calls for suicide prevention efforts begs for new approaches. Grounded in the Centers for Disease Control and Prevention (CDC) framework for tackling health issues, this personal views work integrates relevant suicide risk/protective factor, assessment, and intervention/prevention literatures. Based on these components of suicide risk, we articulate a Social-Ecological Suicide Prevention Model (SESPM) which provides an integration of general and population-specific risk and protective factors. We also use this multi-level perspective to provide a structured approach to understanding current theories and intervention/prevention efforts concerning suicide. Following similar multi-level prevention efforts in interpersonal violence and Human Immunodeficiency Virus (HIV) domains, we offer recommendations for social-ecologically informed suicide prevention theory, training, research, assessment, and intervention programming. Although the SESPM calls for further empirical testing, it provides a suitable backdrop for tailoring of current prevention and intervention programs to population-specific needs. Moreover, the multi-level model shows promise to move suicide risk assessment forward (e.g., development of multi-level suicide risk algorithms or structured professional judgments instruments) to overcome current limitations in the field. Finally, we articulate a set of characteristics of social-ecologically based suicide prevention programs. These include the need to address risk and protective factors with the strongest degree of empirical support at each multi-level layer, incorporate a comprehensive program evaluation strategy, and use a variety of prevention techniques across levels of prevention. PMID:29062296

  18. Relations between premise similarity and inductive strength.

    PubMed

    Heit, Evan; Feeney, Aidan

    2005-04-01

    According to the diversity principle, diverse evidence is strong evidence. There has been considerable evidence that people respect this principle in inductive reasoning. However, exceptions may be particularly informative. Medin, Coley, Storms, and Hayes (2003) introduced a relevance theory of inductive reasoning and used this theory to predict exceptions, including the nondiversity-by-property-reinforcement effect. A new experiment in which this phenomenon was investigated is reported here. Subjects made inductive strength judgments and similarity judgments for stimuli from Medin et al. (2003). The inductive strength judgments showed the same pattern as that in Medin et al. (2003); however, the similarity judgments suggested that the pattern should be interpreted as a diversity effect, rather than as a nondiversity effect. It is concluded that the evidence regarding the predicted nondiversity-by-property-reinforcement effect does not give distinctive support for relevance theory, although this theory does address other results.

  19. Deformations of superconformal theories

    DOE PAGES

    Córdova, Clay; Dumitrescu, Thomas T.; Intriligator, Kenneth

    2016-11-22

    Here, we classify possible supersymmetry-preserving relevant, marginal, and irrelevant deformations of unitary superconformal theories in d ≥ 3 dimensions. Our method only relies on symmetries and unitarity. Hence, the results are model independent and do not require a Lagrangian description. Two unifying themes emerge: first, many theories admit deformations that reside in multiplets together with conserved currents. Such deformations can lead to modifications of the supersymmetry algebra by central and noncentral charges. Second, many theories with a sufficient amount of supersymmetry do not admit relevant or marginal deformations, and some admit neither. The classification is complicated by the fact thatmore » short superconformal multiplets display a rich variety of sporadic phenomena, including supersymmetric deformations that reside in the middle of a multiplet. We illustrate our results with examples in diverse dimensions. In particular, we explain how the classification of irrelevant supersymmetric deformations can be used to derive known and new constraints on moduli-space effective actions.« less

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

    Bose, Benjamin; Koyama, Kazuya, E-mail: benjamin.bose@port.ac.uk, E-mail: kazuya.koyama@port.ac.uk

    We develop a code to produce the power spectrum in redshift space based on standard perturbation theory (SPT) at 1-loop order. The code can be applied to a wide range of modified gravity and dark energy models using a recently proposed numerical method by A.Taruya to find the SPT kernels. This includes Horndeski's theory with a general potential, which accommodates both chameleon and Vainshtein screening mechanisms and provides a non-linear extension of the effective theory of dark energy up to the third order. Focus is on a recent non-linear model of the redshift space power spectrum which has been shownmore » to model the anisotropy very well at relevant scales for the SPT framework, as well as capturing relevant non-linear effects typical of modified gravity theories. We provide consistency checks of the code against established results and elucidate its application within the light of upcoming high precision RSD data.« less

  1. Political and institutional influences on the use of evidence in public health policy. A systematic review.

    PubMed

    Liverani, Marco; Hawkins, Benjamin; Parkhurst, Justin O

    2013-01-01

    There is increasing recognition that the development of evidence-informed health policy is not only a technical problem of knowledge exchange or translation, but also a political challenge. Yet, while political scientists have long considered the nature of political systems, the role of institutional structures, and the political contestation of policy issues as central to understanding policy decisions, these issues remain largely unexplored by scholars of evidence-informed policy making. We conducted a systematic review of empirical studies that examined the influence of key features of political systems and institutional mechanisms on evidence use, and contextual factors that may contribute to the politicisation of health evidence. Eligible studies were identified through searches of seven health and social sciences databases, websites of relevant organisations, the British Library database, and manual searches of academic journals. Relevant findings were extracted using a uniform data extraction tool and synthesised by narrative review. 56 studies were selected for inclusion. Relevant political and institutional aspects affecting the use of health evidence included the level of state centralisation and democratisation, the influence of external donors and organisations, the organisation and function of bureaucracies, and the framing of evidence in relation to social norms and values. However, our understanding of such influences remains piecemeal given the limited number of empirical analyses on this subject, the paucity of comparative works, and the limited consideration of political and institutional theory in these studies. This review highlights the need for a more explicit engagement with the political and institutional factors affecting the use of health evidence in decision-making. A more nuanced understanding of evidence use in health policy making requires both additional empirical studies of evidence use, and an engagement with theories and approaches beyond the current remit of public health or knowledge utilisation studies.

  2. Occupational therapy in Australian acute hospitals: A modified practice.

    PubMed

    Britton, Lauren; Rosenwax, Lorna; McNamara, Beverley

    2016-08-01

    Ongoing changes to health-care funding Australia wide continue to influence how occupational therapists practise in acute hospitals. This study describes the practice challenges experienced by Western Australian acute care occupational therapists. Then, it explores if and how acute care occupational therapists are modifying their practice in response to these practice changes. This study used a qualitative grounded theory approach. Semi-structured interviews were completed with 13 purposively selected acute care occupational therapists from four Western Australian metropolitan hospitals. Data were analysed using a constant comparative method to provide detailed descriptions of acute care occupational therapy practice and to generate theory. Five conceptual categories were developed. The first two addressed practice challenges: pragmatic organisational influences on client care and establishing a professional identity within the multidisciplinary team. Three categories related to therapist responses are as follows: becoming the client advocate, being the facilitator and applying clinical reasoning. Finally, modified practice was identified as the core category which explains the process whereby acute care occupational therapists are ensuring they remain relevant and authentic in the acute care context. Western Australian acute care occupational therapists are practising in a highly complex health context that presents many challenges. They are responding by using a modified form of practice that ensures occupational therapy skills remain relevant within the narrow confines of this health setting. © 2016 Occupational Therapy Australia.

  3. Computing with Neural Synchrony

    PubMed Central

    Brette, Romain

    2012-01-01

    Neurons communicate primarily with spikes, but most theories of neural computation are based on firing rates. Yet, many experimental observations suggest that the temporal coordination of spikes plays a role in sensory processing. Among potential spike-based codes, synchrony appears as a good candidate because neural firing and plasticity are sensitive to fine input correlations. However, it is unclear what role synchrony may play in neural computation, and what functional advantage it may provide. With a theoretical approach, I show that the computational interest of neural synchrony appears when neurons have heterogeneous properties. In this context, the relationship between stimuli and neural synchrony is captured by the concept of synchrony receptive field, the set of stimuli which induce synchronous responses in a group of neurons. In a heterogeneous neural population, it appears that synchrony patterns represent structure or sensory invariants in stimuli, which can then be detected by postsynaptic neurons. The required neural circuitry can spontaneously emerge with spike-timing-dependent plasticity. Using examples in different sensory modalities, I show that this allows simple neural circuits to extract relevant information from realistic sensory stimuli, for example to identify a fluctuating odor in the presence of distractors. This theory of synchrony-based computation shows that relative spike timing may indeed have computational relevance, and suggests new types of neural network models for sensory processing with appealing computational properties. PMID:22719243

  4. Reflections on the development of health economics in low- and middle-income countries.

    PubMed

    Mills, Anne

    2014-08-22

    Health economics is a relatively new discipline, though its antecedents can be traced back to William Petty FRS (1623-1687). In high-income countries, the academic discipline and scientific literature have grown rapidly since the 1960s. In low- and middle-income countries, the growth of health economics has been strongly influenced by trends in health policy, especially among the international and bilateral agencies involved in supporting health sector development. Valuable and influential research has been done in areas such as cost-benefit and cost-effectiveness analysis, financing of healthcare, healthcare provision, and health systems analysis, but there has been insufficient questioning of the relevance of theories and policy recommendations in the rich world literature to the circumstances of poorer countries. Characteristics such as a country's economic structure, strength of political and social institutions, management capacity, and dependence on external agencies, mean that theories and models cannot necessarily be transferred between settings. Recent innovations in the health economics literature on low- and middle-income countries indicate how health economics can be shaped to provide more relevant advice for policy. For this to be taken further, it is critical that such countries develop stronger capacity for health economics within their universities and research institutes, with greater local commitment of funding. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

  5. Why are some plant-pollinator networks more nested than others?

    PubMed

    Song, Chuliang; Rohr, Rudolf P; Saavedra, Serguei

    2017-10-01

    Empirical studies have found that the mutualistic interactions forming the structure of plant-pollinator networks are typically more nested than expected by chance alone. Additionally, theoretical studies have shown a positive association between the nested structure of mutualistic networks and community persistence. Yet, it has been shown that some plant-pollinator networks may be more nested than others, raising the interesting question of which factors are responsible for such enhanced nested structure. It has been argued that ordered network structures may increase the persistence of ecological communities under less predictable environments. This suggests that nested structures of plant-pollinator networks could be more advantageous under highly seasonal environments. While several studies have investigated the link between nestedness and various environmental variables, unfortunately, there has been no unified answer to validate these predictions. Here, we move from the problem of describing network structures to the problem of comparing network structures. We develop comparative statistics, and apply them to investigate the association between the nested structure of 59 plant-pollinator networks and the temperature seasonality present in their locations. We demonstrate that higher levels of nestedness are associated with a higher temperature seasonality. We show that the previous lack of agreement came from an extended practice of using standardized measures of nestedness that cannot be compared across different networks. Importantly, our observations complement theory showing that more nested network structures can increase the range of environmental conditions compatible with species coexistence in mutualistic systems, also known as structural stability. This increase in nestedness should be more advantageous and occur more often in locations subject to random environmental perturbations, which could be driven by highly changing or seasonal environments. This synthesis of theory and observations could prove relevant for a better understanding of the ecological processes driving the assembly and persistence of ecological communities. © 2017 The Authors. Journal of Animal Ecology © 2017 British Ecological Society.

  6. What's culture got to do with it? Prevention programs for African American adolescent girls.

    PubMed

    Corneille, Maya A; Ashcroft, Amie M; Belgrave, Faye Z

    2005-11-01

    This paper examines prevention programming for African American girls by placing the prevention process within the larger African and African American cultural context. We provide an overview of the theories and issues we consider most relevant to African American culture, including Africentric theory, ethnic identity, gender identity and relational theory, developmental issues, the community context, and historical considerations. Drawing from our own drug prevention work, we provide examples of how to incorporate culture into prevention programs to make them most relevant for the target population. We also summarize our own efforts to create culturally appropriate prevention interventions and their impact on the girls in our programs. We conclude with suggested directions for future research into culture-specific prevention programs.

  7. Toward Molecular Engineering of Polymer Glasses

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

    Freed, Karl F.; Xu, Wen-Sheng; Dudowicz, Jacek B.

    Glass formation has been central to fabrication technologies since the dawn of civilization. Glasses not only encompass window panes, the insulation in our homes, the optical fibers supplying our cable TV, and vessels for eating and drinking, but they also include a vast array of ‘‘plastic’’ polymeric materials. Glasses find applications in high technology (e.g., producing microelectronic materials, etc., amorphous semiconductors), and recent advances have created ‘‘plastic metallic glasses’’ that are promising for fabricating everyday structural materials. Many commercially relevant systems, such as microemulsions and colloidal suspensions, have complex molecular structures and thus solidify by glass formation. Despite the importancemore » of understanding the fundamental nature of glass formation for the synthesis of new materials, a predictive molecular theory has been lacking. Much of our understanding of glass formation derives from the analysis of experimental data, a process that has uncovered a number of interesting universal behaviors, namely, relations between properties that are independent of molecular details. However, these empirically derived relations and their limitations remain to be understood on the basis of theories, and, more importantly, there is strong need for theories of the explicit variation with molecular system to enable the rational design and tailoring of new materials. We have recently developed the generalized entropy theory, the only analytic, theory that enables describing the dependence of the properties of glass-formation on monomer molecular structures. These properties include the two central quantities of glass formation, the glass transition temperature and the glass fragility parameter, material dependent properties that govern how a material may be processed (e.g., by extrusion, ink jet, molding, etc.) Our recent works, which are further described below, extend the studies of glass formation in polymer systems to test the theory by directly comparing between the predictions of our generalized entropy theory with experiment and with simulations and to expand the vistas of the theory to describe a wider range of important systems (e.g. glass formation in binary blends and systems with specific interactions) and phenomena that are describable by the generalized entropy theory. In addition, we have addressed longstanding fundamental problems associated with the validity of the Adam-Gibbs theory, one of the underpinnings of the general entropy theory. Theoretical advances to enable describing the properties of glass-formation over a wider class of important polymeric systems, included semi-flexible systems, the more general situation of specific interactions, and more. Our recent work removes the simplest approximation uses the simplest model in which the interaction is approximated by a single, monomer average. Thus, the theory has been extended to allow some variations of the energy parameters between the atoms within the monomers. The theory has also been extended to include all the contributions from chain semi-flexibility. Both projects are extremely difficult, but the payback is that the process of solving the problems developed strong theoretical skills in Dr. Xu, who has recently begun a postdoc position at ORNL. The theory has also been extended to describe glass formation in partially miscible blends, with good general agreement with experiment. Again, the development of the theory presented an extremely difficult problem, but the payback is the development of a theory for a very important class of systems. Another project provides an extremely simple approximation for certain properties of glass formation in polymer melts and should make the theory more accessible to everyone.« less

  8. On the Prospects of a Semiotic Theory of Learning

    ERIC Educational Resources Information Center

    Midtgarden, Torjus

    2005-01-01

    Taking as its exegetic point of departure Peirce's outline of a semiotic theory of cognition from the mid 1890s, this paper explores the relevance of this outline to a theory of learning and also to a broader, normative vision of education. Firstly, besides providing for fallibilism in philosophical inquiry Peirce's outline accords with critical…

  9. Theory and Practice: How Filming "Learning in the Real World" Helps Students Make the Connection

    ERIC Educational Resources Information Center

    Commander, Nannette Evans; Ward, Teresa E.; Zabrucky, Karen M.

    2012-01-01

    This article describes an assignment, titled "Learning in the Real World," designed for graduate students in a learning theory course. Students work in small groups to create high quality audio-visual films that present "real learning" through interviews and/or observations of learners. Students select topics relevant to theories we are discussing…

  10. Play Theory of the Rich and for the Poor.

    ERIC Educational Resources Information Center

    Sutton-Smith, Brian

    An attempt is made to demonstrate that major theories of children's outdoor play reveal the social class biases of their originators. Most modern play theory is enclosed in the individualism of Western philosophy; its emphasis on the voluntary, the solitary, and the creative are seen as indications of its cultural relevance to people of higher…

  11. New Perspective on Visual Communication Design Education: An Empirical Study of Applying Narrative Theory to Graphic Design Courses

    ERIC Educational Resources Information Center

    Yang, Chao-Ming; Hsu, Tzu-Fan

    2017-01-01

    Visual communication design (VCD) is a form of nonverbal communication. The application of relevant linguistic or semiotic theories to VCD education renders graphic design an innovative and scientific discipline. In this study, actual teaching activities were examined to verify the feasibility of applying narrative theory to graphic design…

  12. The Relevance of Feenberg's Critical Theory of Technology to Critical Visual Literacy: The Case of Scientific and Technical Illustrations

    ERIC Educational Resources Information Center

    Northcut, Kathryn M.

    2007-01-01

    Andrew Feenberg's critical theory of technology is an underutilized, relatively unknown resource in technical communication which could be exploited not only for its potential clarification of large social issues that involve our discipline, but also specifically toward the development of a critical theory of illustrations. Applications of…

  13. The relevance of Noddings' ethics of care to the moral education of nurses.

    PubMed

    Crowley, M A

    1994-02-01

    Noddings' ethics of care is proposed as a model for moral education in nursing. A discussion of Noddings' moral theory is followed by a review of significant criticisms of her theory and her response to these criticisms. Finally, the usefulness of her moral theory as a guide to moral education in nursing is explored.

  14. W 4 toda example as hidden Liouville CFT

    NASA Astrophysics Data System (ADS)

    Furlan, P.; Petkova, V. B.

    2017-03-01

    We construct correlators in the W 4 Toda 2d conformal field theory for a particular class of representations and demonstrate a relation to a W 2 (Virasoro) theory with different central charge. The relevance of the classical limits of the constructed 3-point functions and braiding matrices to problems in 4d conformal theories is discussed.

  15. Efficient computation of optimal actions.

    PubMed

    Todorov, Emanuel

    2009-07-14

    Optimal choice of actions is a fundamental problem relevant to fields as diverse as neuroscience, psychology, economics, computer science, and control engineering. Despite this broad relevance the abstract setting is similar: we have an agent choosing actions over time, an uncertain dynamical system whose state is affected by those actions, and a performance criterion that the agent seeks to optimize. Solving problems of this kind remains hard, in part, because of overly generic formulations. Here, we propose a more structured formulation that greatly simplifies the construction of optimal control laws in both discrete and continuous domains. An exhaustive search over actions is avoided and the problem becomes linear. This yields algorithms that outperform Dynamic Programming and Reinforcement Learning, and thereby solve traditional problems more efficiently. Our framework also enables computations that were not possible before: composing optimal control laws by mixing primitives, applying deterministic methods to stochastic systems, quantifying the benefits of error tolerance, and inferring goals from behavioral data via convex optimization. Development of a general class of easily solvable problems tends to accelerate progress--as linear systems theory has done, for example. Our framework may have similar impact in fields where optimal choice of actions is relevant.

  16. Linguistics, human communication and psychiatry.

    PubMed

    Thomas, P; Fraser, W

    1994-11-01

    Psycholinguistics and sociolinguistics have extended our understanding of the abnormal communication seen in psychosis, as well as that of people with autism and Asperger's syndrome. Psycholinguistics has the potential to increase the explanatory power of cognitive and neuropsychological approaches to psychosis and new methods of assessment and therapy are now being developed, based on linguistic theory. A MEDLINE literature search was used. Of 205 relevant articles identified, 65 were selected for review. Greater familiarity with linguistic theory could improve psychiatrists' assessment skills and their understanding of the relevance of human communication to the new cognitive models of psychosis.

  17. Health values and prospect theory.

    PubMed

    Treadwell, J R; Lenert, L A

    1999-01-01

    Health values are important components of medical decisions. Experimental data suggest that people value health in complex and dynamic ways. Prospect theory is a descriptive theory of choice that may accurately characterize how people assign values to health states. The authors first provide background on prospect theory and how it can be applied to health values. Next, they review the relevant health research and find mixed support for prospect theory. Last, they discuss implications of prospect theory for cost-effectiveness analysis. The application of prospect theory to health deserves further research because it may help clarify the link between health and values.

  18. Martha Muchow and Organismic-Developmental Theory.

    ERIC Educational Resources Information Center

    Wapner, Seymour

    1985-01-01

    Examines Martha Muchow's work from the perspective of Heinz Werner's organismic-developmental theory, in terms of its stress on the environment as perceived and experienced by the child and its relevance to Werner's concept of differing "spheres of reality." (Author/SO)

  19. Implementation of a web-based, interactive polytrauma tutorial in computed tomography for radiology residents: how we do it.

    PubMed

    Schlorhaufer, C; Behrends, M; Diekhaus, G; Keberle, M; Weidemann, J

    2012-12-01

    Due to the time factor in polytraumatized patients all relevant pathologies in a polytrauma computed tomography (CT) scan have to be read and communicated very quickly. During radiology residency acquisition of effective reading schemes based on typical polytrauma pathologies is very important. Thus, an online tutorial for the structured diagnosis of polytrauma CT was developed. Based on current multimedia theories like the cognitive load theory a didactic concept was developed. As a web-environment the learning management system ILIAS was chosen. CT data sets were converted into online scrollable QuickTime movies. Audiovisual tutorial movies with guided image analyses by a consultant radiologist were recorded. The polytrauma tutorial consists of chapterized text content and embedded interactive scrollable CT data sets. Selected trauma pathologies are demonstrated to the user by guiding tutor movies. Basic reading schemes are communicated with the help of detailed commented movies of normal data sets. Common and important pathologies could be explored in a self-directed manner. Ambitious didactic concepts can be supported by a web based application on the basis of cognitive load theory and currently available software tools. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

  20. Reflective processes of practitioners in head and neck cancer rehabilitation: a grounded theory study.

    PubMed

    Caty, Marie-Ève; Kinsella, Elizabeth Anne; Doyle, Philip C

    2016-12-01

    This study systematically examined how experienced Speech-Language Pathologists (SLPs) use the processes of reflection to develop knowledge relevant for practice in the context of head and neck cancer (HNC) rehabilitation. In-depth, semi-structured interviews were conducted with 12 SLPs working in HNC rehabilitation in North America. Grounded theory methodology was adopted for data collection and analysis. The findings inform a preliminary reflective practice model that depicts the processes of reflection used by practitioners interviewed. Nine categories of reflective processes were identified by participant SLPs in terms of the processes of reflection: ongoing questioning, experimenting through trial and error, integrating knowledge from past cases, embracing surprise, thinking out of the box, being in the moment, consulting with colleagues, putting oneself in the patients' shoes, and discerning ethical issues. These findings provide empirical evidence that supports Schön's theory of reflective practice and contribute to knowledge about the ways in which SLPs use processes of reflection in the context of HNC rehabilitation. The findings of this study have implications for how SLPs perceive and consider their role as knowledge-users and knowledge producers in their day-to-day clinical work, as well as for building capacity for reflective practice.

  1. The ethics of everyday practice in primary medical care: responding to social health inequities

    PubMed Central

    2010-01-01

    Background Social and structural inequities shape health and illness; they are an everyday presence within the doctor-patient encounter yet, there is limited ethical guidance on what individual physicians should do. This paper draws on a study that explored how doctors and their professional associations ought to respond to the issue of social health inequities. Results Some see doctors as bound by a notion of care that is blind to a patient's social position, while others respond to this issue through invoking notions of justice and human rights where access to care is a prime focus. Both care and justice orientations however conceal important tensions linked to the presence of bioethical principles underpinning these. Other normative ethical theories like deontology, virtue ethics and utilitarianism do not provide adequate guidance on the problem of social health inequities either. Conclusion This paper explores if Bauman's notion of "forms of togetherness" provides the basis of a relational ethical theory that can help to develop a response to social health inequities of relevance to individual physicians. This theory goes beyond silence on the influence of social position of health and avoids amoral regulatory approaches to monitoring equity of care provision. PMID:20438627

  2. Free field theory as a string theory?

    NASA Astrophysics Data System (ADS)

    Gopakumar, Rajesh

    2004-11-01

    An approach to systematically implement open-closed string duality for free large N gauge theories is summarised. We show how the relevant closed string moduli space emerges from a reorganisation of the Feynman diagrams contributing to free field correlators. We also indicate why the resulting integrand on moduli space has the right features to be that of a string theory on AdS. To cite this article: R. Gopakumar, C. R. Physique 5 (2004).

  3. Learning and Development of Second and Foreign Language Pragmatics as a Higher-Order Language Skill: A Brief Overview of Relevant Theories. Research Report. ETS RR-16-35

    ERIC Educational Resources Information Center

    Timpe-Laughlin, Veronika

    2016-01-01

    The development of effective second and foreign (L2) language learning materials needs to be grounded in two types of theories: (a) a theory of language and language use and (b) a theory of language learning. Both are equally important, insofar as an effective learning environment requires an understanding of the knowledge, skills, and abilities…

  4. Culturally Relevant Teaching: Hip-Hop Pedagogy in Urban Schools. Counterpoints: Studies in the Postmodern Theory of Education. Volume 396

    ERIC Educational Resources Information Center

    Prier, Darius D.

    2012-01-01

    "Culturally Relevant Teaching" centers hip-hop culture as a culturally relevant form of critical pedagogy in urban pre-service teacher education programs. In this important book, Darius D. Prier explores how hip-hop artists construct a sense of democratic education and pedagogy with transformative possibilities in their schools and communities. In…

  5. Relevance and speed of message delivery trade-offs in augmentative and alternative communication.

    PubMed

    Bedrosian, Jan L; Hoag, Linda A; McCoy, Kathleen F

    2003-08-01

    This report is the first in a series of investigations designed to test a theory identifying the effects of conversational trade-offs between selected maxims on public attitudes toward augmentative and alternative communication (AAC) system users and their communication. In the current study, the trade-offs between the relevance of a prestored message and its speed of delivery were examined. Participating were 96 sales clerks. Twelve scripted videotaped conversational conditions, involving an AAC customer and a clerk at a checkout counter, were used to manipulate message relevance, speed of message delivery, and participant/AAC user gender. Following each assigned viewing, participants completed a questionnaire designed to assess their attitudes toward the AAC user and his or her communication. Significantly higher mean ratings were found for the conditions involving the slowly delivered relevant messages (both preceded by a conversational floorholder and without a floorholder) when compared to the quickly delivered partly relevant message condition. In addition, the condition involving the slowly delivered relevant message with a floorholder yielded significantly higher mean ratings than that without the floorholder. There was no effect for participant/user gender. Modifications of the theory and technological implications are discussed.

  6. Analytical structure, dynamics, and coarse graining of a kinetic model of an active fluid

    NASA Astrophysics Data System (ADS)

    Gao, Tong; Betterton, Meredith D.; Jhang, An-Sheng; Shelley, Michael J.

    2017-09-01

    We analyze one of the simplest active suspensions with complex dynamics: a suspension of immotile "extensor" particles that exert active extensile dipolar stresses on the fluid in which they are immersed. This is relevant to several experimental systems, such as recently studied tripartite rods that create extensile flows by consuming a chemical fuel. We first describe the system through a Doi-Onsager kinetic theory based on microscopic modeling. This theory captures the active stresses produced by the particles that can drive hydrodynamic instabilities, as well as the steric interactions of rodlike particles that lead to nematic alignment. This active nematic system yields complex flows and disclination defect dynamics very similar to phenomenological Landau-deGennes Q -tensor theories for active nematic fluids, as well as by more complex Doi-Onsager theories for polar microtubule-motor-protein systems. We apply the quasiequilibrium Bingham closure, used to study suspensions of passive microscopic rods, to develop a nonstandard Q -tensor theory. We demonstrate through simulation that this B Q -tensor theory gives an excellent analytical and statistical accounting of the suspension's complex dynamics, at a far reduced computational cost. Finally, we apply the B Q -tensor model to study the dynamics of extensor suspensions in circular and biconcave domains. In circular domains, we reproduce previous results for systems with weak nematic alignment, but for strong alignment we find unusual dynamics with activity-controlled defect production and absorption at the boundaries of the domain. In biconcave domains, a Fredericks-like transition occurs as the width of the neck connecting the two disks is varied.

  7. Rapid realist review of the evidence: achieving lasting change when mental health rehabilitation staff undertake recovery-oriented training.

    PubMed

    Gee, Melanie; Bhanbhro, Sadiq; Cook, Sarah; Killaspy, Helen

    2017-08-01

    The aim of this study was to identify the factors contributing to lasting change in practice following a recovery-based training intervention for inpatient mental health rehabilitation staff. Staff training may help nurses and other staff groups in inpatient mental health rehabilitative settings to increase their recovery-oriented practice. There are no published reviews on the effectiveness of such training and few long-term evaluations. This review informed a realist evaluation of a specific intervention (GetREAL). Rapid realist review methodology was used to generate and prioritize programme theories. ASSIA, CINAHL, Cochrane Library, Medline, PsycINFO, Scopus, Web of Science and grey literature searches were performed in September 2014-March 2015 with no date restrictions. Stakeholders suggested further documents. GetREAL project documentation was consulted. Programme theory development took place iteratively with literature identification. Stakeholders validated and prioritized emerging programme theories and the prioritized theories were refined using literature case studies. Fifty-one relevant documents fed into 49 programme theories articulating seven mechanisms for lasting change. Prioritized mechanisms were: staff receptiveness to change; and staff feeling encouraged, motivated and supported by colleagues and management to change. Seven programme theories were prioritized and refined using data from four case studies. Lasting change can be facilitated by collaborative action planning, regular collaborative meetings, appointing a change agent, explicit management endorsement and prioritization and modifying organizational structures. Conversely, a challenging organizational climate, or a prevalence of 'change fatigue', may block change. Pre-intervention exploration may help identify any potential barriers to embedding recovery in the organizational culture. © 2016 John Wiley & Sons Ltd.

  8. The theory-practice relationship: reflective skills and theoretical knowledge as key factors in bridging the gap between theory and practice in initial nursing education.

    PubMed

    Hatlevik, Ida Katrine Riksaasen

    2012-04-01

    This paper is a report of a correlational study of the relations of nursing students' acquired reflective skills, practical skills and theoretical knowledge on their perception of coherence between theory and practice. Reflection is considered a key factor in bridging the gap between theory and practice. However, it is not evident whether reflective skills are primarily generic in nature or whether they develop from a theoretical knowledge base or the acquisition of practical skills. This study is a secondary analysis of existing data. The data are part of a student survey that was conducted among third-year nursing students in Norway during the spring of 2007. A total of 446 nursing students participated in this study and the response rate was 71%. Structural equation modelling analyses were performed. The results indicate that students' perception of coherence between theory and practice during initial nursing education is directly influenced by reflective skills and theoretical knowledge. The results also reveal that reflective skills have mediating effects and that practical skills have a fully mediated and theoretical knowledge a partially mediated influence on students' perception of coherence. The findings imply that helping students perceive coherence between theory and practice in nursing education, developing students' reflective skills and strengthening the theoretical components of the initial nursing education programme might be beneficial. The results suggest that reflective thinking is not merely a generic skill but rather a skill that depends on the acquisition of relevant professional knowledge and experience. © 2011 Blackwell Publishing Ltd.

  9. Concurrent analysis: towards generalisable qualitative research.

    PubMed

    Snowden, Austyn; Martin, Colin R

    2011-10-01

    This study develops an original method of qualitative analysis coherent with its interpretivist principles. The objective is to increase the likelihood of achieving generalisability and so improve the chance of the findings being translated into practice. Good qualitative research depends on coherent analysis of different types of data. The limitations of existing methodologies are first discussed to justify the need for a novel approach. To illustrate this approach, primary evidence is presented using the new methodology. The primary evidence consists of a constructivist grounded theory of how mental health nurses with prescribing authority integrate prescribing into practice. This theory is built concurrently from interviews, reflective accounts and case study data from the literature. Concurrent analysis. Ten research articles and 13 semi-structured interviews were sampled purposively and then theoretically and analysed concurrently using constructivist grounded theory. A theory of the process of becoming competent in mental health nurse prescribing was generated through this process. This theory was validated by 32 practising mental health nurse prescribers as an accurate representation of their experience. The methodology generated a coherent and generalisable theory. It is therefore claimed that concurrent analysis engenders consistent and iterative treatment of different sources of qualitative data in a manageable manner. This process supports facilitation of the highest standard of qualitative research. Concurrent analysis removes the artificial delineation of relevant literature from other forms of constructed data. This gives researchers clear direction to treat qualitative data consistently raising the chances of generalisability of the findings. Raising the generalisability of qualitative research will increase its chances of informing clinical practice. © 2010 Blackwell Publishing Ltd.

  10. Effective Dementia Education and Training for the Health and Social Care Workforce: A Systematic Review of the Literature

    PubMed Central

    Surr, Claire A.; Gates, Cara; Irving, Donna; Oyebode, Jan; Smith, Sarah Jane; Parveen, Sahdia; Drury, Michelle; Dennison, Alison

    2017-01-01

    Ensuring an informed and effective dementia workforce is of international concern; however, there remains limited understanding of how this can be achieved. This review aimed to identify features of effective dementia educational programs. Critical interpretive synthesis underpinned by Kirkpatrick’s return on investment model was applied. One hundred and fifty-two papers of variable quality were included. Common features of more efficacious educational programs included the need for educational programs to be relevant to participants’ role and experience, involve active face-to-face participation, underpin practice-based learning with theory, be delivered by an experienced facilitator, have a total duration of at least 8 hours with individual sessions of 90 minutes or more, support application of learning in practice, and provide a structured tool or guideline to guide care practice. Further robust research is required to develop the evidence base; however, the findings of this review have relevance for all working in workforce education. PMID:28989194

  11. Effective Dementia Education and Training for the Health and Social Care Workforce: A Systematic Review of the Literature.

    PubMed

    Surr, Claire A; Gates, Cara; Irving, Donna; Oyebode, Jan; Smith, Sarah Jane; Parveen, Sahdia; Drury, Michelle; Dennison, Alison

    2017-10-01

    Ensuring an informed and effective dementia workforce is of international concern; however, there remains limited understanding of how this can be achieved. This review aimed to identify features of effective dementia educational programs. Critical interpretive synthesis underpinned by Kirkpatrick's return on investment model was applied. One hundred and fifty-two papers of variable quality were included. Common features of more efficacious educational programs included the need for educational programs to be relevant to participants' role and experience, involve active face-to-face participation, underpin practice-based learning with theory, be delivered by an experienced facilitator, have a total duration of at least 8 hours with individual sessions of 90 minutes or more, support application of learning in practice, and provide a structured tool or guideline to guide care practice. Further robust research is required to develop the evidence base; however, the findings of this review have relevance for all working in workforce education.

  12. A First-Principles Analytical Theory for 2D Magnetic Reconnection in Electron and Hall Magnetohydrodynamics

    NASA Astrophysics Data System (ADS)

    Chacon, L.; Simakov, A. N.; Zocco, A.

    2007-12-01

    Although the relevance of two-fluid effects in fast magnetic reconnection is well-known, (J. Birn et al., J. Geophys. Res., 106 (A3), 3715 (2001) a first-principles theory -- akin to Sweet and Parker's in resistive MHD -- has been elusive. Here, we present such a first principles steady-state analytical theory for electron MHD, (L. Chacón, A. N. Simakov, A. Zocco, Phys. Rev. Lett., submitted) and its extension to Hall MHD. (A. N. Simakov, L. Chacón, in preparation) The theory discretizes the extended MHD equations at the reconnection site, leading to a set of time-dependent ODEs. Their steady-state analysis, which describes the system at or around the point of maximum reconnection rate, provides predictions for the scaling of relevant quantities with the dissipation coefficients (e.g, resistivity and hyper-resistivity) and other relevant parameters. In particular, we will show that EMHD admits both elongated and open-X point configurations of the reconnection region, and that the reconnection rate can be shown not to scale explicitly with the dissipation parameters. This result is, to our knowledge, the first analytical confirmation of the possibility of fast magnetic reconnection in EMHD. In Hall MHD, the transition between resistive MHD and EMHD is studied, and scalings with the ion inertial length are obtained.

  13. A first-principles analytical theory for 2D magnetic reconnection in electron and Hall MHD.

    NASA Astrophysics Data System (ADS)

    Zocco, A.; Simakov, A. N.; Chacon, L.

    2007-11-01

    While the relevance of two-fluid effects in fast magnetic reconnection is well-known,ootnotetextJ. Birn et al., J. Geophys. Res., 106 (A3), pp. 3715--3719 (2001) a first-principles theory --akin to Sweet and Parker's in resistive MHD-- has been elusive. Here, we present such a first principles steady-state theory for electron MHD,ootnotetextL. Chac'on, A. N. Simakov, A. Zocco, Phys. Rev. Lett., submitted and its extension to Hall.ootnotetextA. N. Simakov, L. Chac'on, in preparation The theory discretizes the extended MHD equations at the reconnection site, leading to a set of time-dependent ODEs. Their steady-state analysis provides predictions for the scaling of relevant quantities with the dissipation coefficients (e.g, resistivity and hyper-resistivity) and other relevant parameters. In particular, we will show that EMHD admits both elongated and open-X point configurations of the reconnection region, and that the reconnection rate Ez can be shown not to scale explicitly with the dissipation parameters. This analytic result confirms earlier computational work on the possibility of fast (dissipation-independent) magnetic reconnection in EMHD. We have extended the EMHD results to Hall MHD, and have found a general scaling law for the reconnection rate (and associated length scales) that bridges the gap between resistive and EMHD.

  14. Peroxide Activation for Electrophilic Reactivity by the Binuclear Non-heme Iron Enzyme AurF

    DOE PAGES

    Park, Kiyoung; Li, Ning; Kwak, Yeonju; ...

    2017-05-01

    Binuclear non-heme iron enzymes activate O 2 for diverse chemistries that include oxygenation of organic substrates and hydrogen atom abstraction. This process often involves the formation of peroxo-bridged biferric intermediates, only some of which can perform electrophilic reactions. To elucidate the geometric and electronic structural requirements to activate peroxo reactivity, the active peroxo intermediate in 4-aminobenzoate N-oxygenase (AurF) has been characterized spectroscopically and computationally. A magnetic circular dichroism study of reduced AurF shows that its electronic and geometric structures are poised to react rapidly with O 2. Nuclear resonance vibrational spectroscopic definition of the peroxo intermediate formed in this reactionmore » shows that the active intermediate has a protonated peroxo bridge. Density functional theory computations on the structure established here show that the protonation activates peroxide for electrophilic/single-electron-transfer reactivity. As a result, this activation of peroxide by protonation is likely also relevant to the reactive peroxo intermediates in other binuclear non-heme iron enzymes.« less

  15. Reaction between nickel or iron and xenon under high pressure

    NASA Astrophysics Data System (ADS)

    Dewaele, A.; Pépin, C. M.; Geneste, G.; Garbarino, G.

    2017-04-01

    Xe-Ni and Xe-Fe systems are studied in a pressure range relevant to the Earth's core (135-210 GPa) using laser-heated diamond anvil cells and synchrotron X-ray diffraction. The stability of several intermetallic compounds, including XeNi? and XeFe?, has been recently calculated using structural searches and density functional theory (DFT) above 155 and 190 GPa, respectively [Zhu L, Liu H, Pickard CJ, et al. Nat Chem. 2014;6:644-648]. We have synthesized XeNi? around 150 GPa, confirming the prediction; however, it has a cubic ?-Cu?Au structure, different from the predicted one for XeNi? but identical to the structure predicted for XeFe?. ?-XeNi? is calculated to be metastable with DFT. A disordered Ni?Xe? (?) alloy is observed to form prior to this compound. This alloy is interesting in the perspective of a possible storage of xenon in the Earth's core. We have not observed any reaction between Xe and Fe up to 210 GPa.

  16. Dependence structure of the commodity and stock markets, and relevant multi-spread strategy

    NASA Astrophysics Data System (ADS)

    Kim, Min Jae; Kim, Sehyun; Jo, Yong Hwan; Kim, Soo Yong

    2011-10-01

    Understanding the dependence structure between the commodity and stock markets is a crucial issue in constructing a portfolio. It can also help us to discover new opportunities to implement spread trading using multiple assets classified in the two different markets. This study analyzed the dependence structure of the commodity and stock markets using the random matrix theory technique and network analysis. Our results show that the stock and commodity markets must be handled as completely separated asset classes except for the oil and gold markets, so the performance enhancement of the mean-variance portfolio is significant as expected. In light of the fact that WTI 1 month futures and four oil-related stocks are strongly correlated, they were selected as basic ingredients to complement the multi-spread convergence trading strategy using a machine learning technique called the AdaBoost algorithm. The performance of this strategy for non-myopic investors, who can endure short-term loss, can be enhanced significantly on a risk measurement basis.

  17. Energy Landscape of the Prion Protein Helix 1 Probed by Metadynamics and NMR

    PubMed Central

    Camilloni, Carlo; Schaal, Daniel; Schweimer, Kristian; Schwarzinger, Stephan; De Simone, Alfonso

    2012-01-01

    The characterization of the structural dynamics of proteins, including those that present a substantial degree of disorder, is currently a major scientific challenge. These dynamics are biologically relevant and govern the majority of functional and pathological processes. We exploited a combination of enhanced molecular simulations of metadynamics and NMR measurements to study heterogeneous states of proteins and peptides. In this way, we determined the structural ensemble and free-energy landscape of the highly dynamic helix 1 of the prion protein (PrP-H1), whose misfolding and aggregation are intimately connected to a group of neurodegenerative disorders known as transmissible spongiform encephalopathies. Our combined approach allowed us to dissect the factors that govern the conformational states of PrP-H1 in solution, and the implications of these factors for prion protein misfolding and aggregation. The results underline the importance of adopting novel integrated approaches that take advantage of experiments and theory to achieve a comprehensive characterization of the structure and dynamics of biological macromolecules. PMID:22225810

  18. Peroxide Activation for Electrophilic Reactivity by the Binuclear Non-heme Iron Enzyme AurF

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

    Park, Kiyoung; Li, Ning; Kwak, Yeonju

    Binuclear non-heme iron enzymes activate O 2 for diverse chemistries that include oxygenation of organic substrates and hydrogen atom abstraction. This process often involves the formation of peroxo-bridged biferric intermediates, only some of which can perform electrophilic reactions. To elucidate the geometric and electronic structural requirements to activate peroxo reactivity, the active peroxo intermediate in 4-aminobenzoate N-oxygenase (AurF) has been characterized spectroscopically and computationally. A magnetic circular dichroism study of reduced AurF shows that its electronic and geometric structures are poised to react rapidly with O 2. Nuclear resonance vibrational spectroscopic definition of the peroxo intermediate formed in this reactionmore » shows that the active intermediate has a protonated peroxo bridge. Density functional theory computations on the structure established here show that the protonation activates peroxide for electrophilic/single-electron-transfer reactivity. As a result, this activation of peroxide by protonation is likely also relevant to the reactive peroxo intermediates in other binuclear non-heme iron enzymes.« less

  19. Further explorations of cosmogonic shadow effects in the Saturnian rings

    NASA Technical Reports Server (NTRS)

    Alfven, H.; Axnaes, I.; Brenning, N.; Lindqvist, P. A.

    1985-01-01

    The mass distribution in the Saturnian ring system is compared with predictions from the cosmogonic theory of Alfven and Arrhenius (1975) in which matter in the rings was once a magnetized plasma, with gravitation balanced by centrifugal force and by the magnetic field. As the plasma is neutralized, the magnetic force disappears and the matter can be shown to fall in to a distance 2/3 of the original. This supports the cosmogonic shadow effect, also demonstrated for the astroidal belt and in the large scale structure of the Saturnian ring system. The relevance of the comogonic shadow effect for parts of the finer structures of the Saturnian ring system is investigated. It is shown that many structures of the present ring system can be understood as shadows and antishadows of cosmogonic origin. These appear in the form of double rings centered around a position a factor 0.64 (slightly 2/3) closer to Saturn than the causing feature.

  20. Effects of model structure and catchment discretization on discharge simulation in a small forest catchment

    NASA Astrophysics Data System (ADS)

    Spieler, Diana; Schwarze, Robert; Schütze, Niels

    2017-04-01

    In the past a variety of different modeling approaches has been developed in catchment hydrology. Even though there is no argument on the relevant processes taking place, there is no unified theory on how best to represent them computationally. Thus a vast number of models has been developed, varying from lumped models to physically based models. Most of them have a more or less fixed model structure and follow the "one fits all" paradigm. However, a more flexible approach could improve model realism by designing catchment specific model structures based on data availability. This study focuses on applying the flexible hydrological modelling framework RAVEN (Craig et al., 2013), to systematically test several conceptual model structures on the 19 km2 Große Ohe Catchment in the Bavarian Forest (Germany). By combining RAVEN with the DREAM algorithm (Vrugt et al., 2009), the relationship between catchment characteristics, model structure, parameter uncertainty and data availability are analyzed. The model structure is progressively developed based on the available data of the well observed forested catchment area. In a second step, the impact of the catchment discretization is analyzed by testing different spatial resolutions of topographic input data.

  1. Structure of the thermodynamic arrow of time in classical and quantum theories

    NASA Astrophysics Data System (ADS)

    Korzekwa, Kamil

    2017-05-01

    In this work we analyze the structure of the thermodynamic arrow of time, defined by transformations that leave the thermal equilibrium state unchanged, in classical (incoherent) and quantum (coherent) regimes. We note that in the infinite-temperature limit, the thermodynamic ordering of states in both regimes exhibits a lattice structure. This means that when energy does not matter and the only thermodynamic resource is given by information, the thermodynamic arrow of time has a very specific structure. Namely, for any two states at present there exists a unique state in the past consistent with them and with all possible joint pasts. Similarly, there also exists a unique state in the future consistent with those states and with all possible joint futures. We also show that the lattice structure in the classical regime is broken at finite temperatures, i.e., when energy is a relevant thermodynamic resource. Surprisingly, however, we prove that in the simplest quantum scenario of a two-dimensional system, this structure is preserved at finite temperatures. We provide the physical interpretation of these results by introducing and analyzing the history erasure process, and point out that quantum coherence may be a necessary resource for the existence of an optimal erasure process.

  2. Workshop: Advancing the Theory and Methods for Understanding Employment Effects of Environmental Regulation (2012)

    EPA Pesticide Factsheets

    he Environmental Protection Agency's National Center for Environmental Economics and Professor V. Kerry Smith (Arizona State University), with support from Abt Associates, convened a one-day workshop exploring theory and methods relevant to the employment.

  3. Multiscale modeling of lithium ion batteries: thermal aspects

    PubMed Central

    Zausch, Jochen

    2015-01-01

    Summary The thermal behavior of lithium ion batteries has a huge impact on their lifetime and the initiation of degradation processes. The development of hot spots or large local overpotentials leading, e.g., to lithium metal deposition depends on material properties as well as on the nano- und microstructure of the electrodes. In recent years a theoretical structure emerges, which opens the possibility to establish a systematic modeling strategy from atomistic to continuum scale to capture and couple the relevant phenomena on each scale. We outline the building blocks for such a systematic approach and discuss in detail a rigorous approach for the continuum scale based on rational thermodynamics and homogenization theories. Our focus is on the development of a systematic thermodynamically consistent theory for thermal phenomena in batteries at the microstructure scale and at the cell scale. We discuss the importance of carefully defining the continuum fields for being able to compare seemingly different phenomenological theories and for obtaining rules to determine unknown parameters of the theory by experiments or lower-scale theories. The resulting continuum models for the microscopic and the cell scale are numerically solved in full 3D resolution. The complex very localized distributions of heat sources in a microstructure of a battery and the problems of mapping these localized sources on an averaged porous electrode model are discussed by comparing the detailed 3D microstructure-resolved simulations of the heat distribution with the result of the upscaled porous electrode model. It is shown, that not all heat sources that exist on the microstructure scale are represented in the averaged theory due to subtle cancellation effects of interface and bulk heat sources. Nevertheless, we find that in special cases the averaged thermal behavior can be captured very well by porous electrode theory. PMID:25977870

  4. Career Development Models: A Brief Overview of Relevant Theory

    DTIC Science & Technology

    1989-01-01

    Gottfredson , and Vondracek, Lerner, and Schulenberg have the least such support. vii A CONTENTS Page INTRODUCTION...Theory of Dawis and Lofquist (1984) and Tiedeman and O’Hara (1963). More recent theoretical approaches of interest include that of Gottfredson (1981...by Gottfredson (1981). This theory views career development in terms of the process by which occupational aspirations are circumscribed and

  5. Enhancing Student Learning in Knowledge-Based Courses: Integrating Team-Based Learning in Mass Communication Theory Classes

    ERIC Educational Resources Information Center

    Han, Gang; Newell, Jay

    2014-01-01

    This study explores the adoption of the team-based learning (TBL) method in knowledge-based and theory-oriented journalism and mass communication (J&MC) courses. It first reviews the origin and concept of TBL, the relevant theories, and then introduces the TBL method and implementation, including procedures and assessments, employed in an…

  6. Gray Matter Correlates of Fluid, Crystallized, and Spatial Intelligence: Testing the P-FIT Model

    ERIC Educational Resources Information Center

    Colom, Roberto; Haier, Richard J.; Head, Kevin; Alvarez-Linera, Juan; Quiroga, Maria Angeles; Shih, Pei Chun; Jung, Rex E.

    2009-01-01

    The parieto-frontal integration theory (P-FIT) nominates several areas distributed throughout the brain as relevant for intelligence. This theory was derived from previously published studies using a variety of both imaging methods and tests of cognitive ability. Here we test this theory in a new sample of young healthy adults (N = 100) using a…

  7. A learning theory account of depression.

    PubMed

    Ramnerö, Jonas; Folke, Fredrik; Kanter, Jonathan W

    2015-06-11

    Learning theory provides a foundation for understanding and deriving treatment principles for impacting a spectrum of functional processes relevant to the construct of depression. While behavioral interventions have been commonplace in the cognitive behavioral tradition, most often conceptualized within a cognitive theoretical framework, recent years have seen renewed interest in more purely behavioral models. These modern learning theory accounts of depression focus on the interchange between behavior and the environment, mainly in terms of lack of reinforcement, extinction of instrumental behavior, and excesses of aversive control, and include a conceptualization of relevant cognitive and emotional variables. These positions, drawn from extensive basic and applied research, cohere with biological theories on reduced reward learning and reward responsiveness and views of depression as a heterogeneous, complex set of disorders. Treatment techniques based on learning theory, often labeled Behavioral Activation (BA) focus on activating the individual in directions that increase contact with potential reinforcers, as defined ideographically with the client. BA is considered an empirically well-established treatment that generalizes well across diverse contexts and populations. The learning theory account is discussed in terms of being a parsimonious model and ground for treatments highly suitable for large scale dissemination. © 2015 Scandinavian Psychological Associations and John Wiley & Sons Ltd.

  8. Theory of electronic and spin-orbit proximity effects in graphene on Cu(111)

    NASA Astrophysics Data System (ADS)

    Frank, Tobias; Gmitra, Martin; Fabian, Jaroslav

    2016-04-01

    We study orbital and spin-orbit proximity effects in graphene adsorbed to the Cu(111) surface by means of density functional theory (DFT). The proximity effects are caused mainly by the hybridization of graphene π and copper d orbitals. Our electronic structure calculations agree well with the experimentally observed features. We carry out a graphene-Cu(111) distance dependent study to obtain proximity orbital and spin-orbit coupling parameters, by fitting the DFT results to a robust low energy model Hamiltonian. We find a strong distance dependence of the Rashba and intrinsic proximity induced spin-orbit coupling parameters, which are in the meV and hundreds of μ eV range, respectively, for experimentally relevant distances. The Dirac spectrum of graphene also exhibits a proximity orbital gap, of about 20 meV. Furthermore, we find a band inversion within the graphene states accompanied by a reordering of spin and pseudospin states, when graphene is pressed towards copper.

  9. Hydrogen migration modeling in a symmetric tilt boundary of the Iron-Chromium system

    NASA Astrophysics Data System (ADS)

    Ramunni, V. P.

    2018-03-01

    Previous experimental studies of H permeation in 9%Cr-Fe alloys have found a permeation coefficient 10 times lower and a diffusion coefficient 200 times lower than in pure annealed Fe. In an effort to shed some light on the microscopic origin of these findings, we perform an extensive study of Fe, Cr, and H migration in a high-angle symmetric tilt grain boundary in bcc Fe, both via vacancy and interstitial mechanism. This is undertaken in the framework of transition state theory with the relevant energies obtained from classical interatomic potentials, and partially from Density Functional Theory calculations, in order to check the consistency of structures. Trapping sites for H and possible migration paths are explored. We find that the presence of Cr and its migration via vacancy and interstitials creates the conditions in produce stable preferential trapping sites for H in the grain boundary, that delay the H migration, thereby explaining the experimental results.

  10. Exploring the social-environmental determinants of well- and ill-being in dancers: a test of basic needs theory.

    PubMed

    Quested, Eleanor; Duda, Joan L

    2010-02-01

    Grounded in the basic needs mini-theory (Deci & Ryan, 2000), this study examined the interplay among perceptions of the social environment manifested in vocational dance schools, basic need satisfaction, and indices of elite dancers' well- and ill-being. The hypothesized mediating role of need satisfaction was also tested. Dancers (N = 392) completed a questionnaire tapping the targeted variables. Structural equation modeling supported a model in which perceptions of task-involving dance environments positively predicted need satisfaction. Perceived ego-involving climates negatively corresponded with competence and relatedness. Perceptions of autonomy support were positively related to autonomy and relatedness. Need satisfaction positively predicted positive affect. Competence and relatedness satisfaction corresponded negatively to reported negative affect. Emotional and physical exhaustion was not related to need satisfaction. Partial support emerged for the assumed mediation of the needs. Results highlight the relevance of task-involving and autonomy-supportive dance climates for elite dancers' need satisfaction and healthful engagement in vocational dance.

  11. CONFERENCE DESCRIPTION Theory of Fusion Plasmas: Varenna-Lausanne International Workshop

    NASA Astrophysics Data System (ADS)

    Garbet, X.; Sauter, O.

    2010-12-01

    The Joint Varenna-Lausanne international workshop on Theory of Fusion Plasmas takes place every other year in a place particularly favourable for informal and in-depth discussions. Invited and contributed papers present state-of-the-art research in theoretical plasma physics, covering all domains relevant to fusion plasmas. This workshop always welcomes a fruitful mix of experienced researchers and students, to allow a better understanding of the key theoretical physics models and applications. Theoretical issues related to burning plasmas Anomalous Transport (Turbulence, Coherent Structures, Microinstabilities) RF Heating and Current Drive Macroinstabilities Plasma-Edge Physics and Divertors Fast particles instabilities Further details: http://Varenna-Lausanne.epfl.ch The conference is organized by: Centre de Recherches en Physique des Plasmas, Ecole Polytechnique Fédérale de Lausanne, Association EURATOM - Confédération Suisse 'Piero Caldirola' International Centre for the Promotion of Science and International School of Plasma Physics Istituto di Fisica del Plasma del CNR, Milano Editors: X Garbet (CEA, Cadarache, France) and O Sauter (CRPP-EPFL, Lausanne, Switzerland)

  12. Community-based HIV education and prevention workers respond to a changing environment.

    PubMed

    Guenter, Dale; Majumdar, Basanti; Willms, Dennis; Travers, Robb; Browne, Gina; Robinson, Greg

    2005-01-01

    The purpose of this study was to understand the culture, values, skills and activities of staff involved in education and prevention activities in community-based AIDS Service Organizations (ASOs) in Ontario, Canada, and to understand the role of evaluation research in their prevention programming. In this qualitative study, 33 staff members from 11 ASOs participated in semi-structured interviews that were analyzed using the grounded theory approach. ASO staff experience tension between a historical grassroots organizational culture characterized by responsiveness and relevance and a more recent culture of professionalization. Target populations have changed from being primarily gay men to an almost unlimited variety of communities. Program emphasis has shifted from education and knowledge dissemination to a broadly based mandate of health promotion, community development, and harm reduction. Integration of evidence of effectiveness, social-behavioral theory, or systematic evaluation is uncommon. Understanding these points of tension is important for the nursing profession when it is engaged with ASOs in programming or evaluation research.

  13. Statistical mechanics of light elements at high pressure. VI - Liquid-state calculations with Thomas-Fermi-Dirac theory

    NASA Technical Reports Server (NTRS)

    Macfarlane, J. J.

    1984-01-01

    A model free energy is developed for hydrogen-helium mixtures based on solid-state Thomas-Fermi-Dirac calculations at pressures relevant to the interiors of giant planets. Using a model potential similar to that for a two-component plasma, effective charges for the nuclei (which are in general smaller than the actual charges because of screening effects) are parameterized, being constrained by calculations at a number of densities, compositions, and lattice structures. These model potentials are then used to compute the equilibrium properties of H-He fluids using a charged hard-sphere model. The results find critical temperatures of about 0 K, 500 K, and 1500 K, for pressures of 10, 100, and 1000 Mbar, respectively. These phase separation temperatures are considerably lower (approximately 6,000-10,000 K) than those found from calculations using free electron perturbation theory, and suggest that H-He solutions should be stable against phase separation in the metallic zones of Jupiter and Saturn.

  14. Modeling adsorption with lattice Boltzmann equation

    PubMed Central

    Guo, Long; Xiao, Lizhi; Shan, Xiaowen; Zhang, Xiaoling

    2016-01-01

    The research of adsorption theory has recently gained renewed attention due to its critical relevance to a number of trending industrial applications, hydrogen storage and shale gas exploration for instance. The existing theoretical foundation, laid mostly in the early twentieth century, was largely based on simple heuristic molecular interaction models and static interaction potential which, although being insightful in illuminating the fundamental mechanisms, are insufficient for computations with realistic adsorbent structure and adsorbate hydrodynamics, both critical for real-life applications. Here we present and validate a novel lattice Boltzmann model incorporating both adsorbate-adsorbate and adsorbate-adsorbent interactions with hydrodynamics which, for the first time, allows adsorption to be computed with real-life details. Connection with the classic Ono-Kondo lattice theory is established and various adsorption isotherms, both within and beyond the IUPAC classification are observed as a pseudo-potential is varied. This new approach not only enables an important physical to be simulated for real-life applications, but also provides an enabling theoretical framework within which the fundamentals of adsorption can be studied. PMID:27256325

  15. Revisiting kinetic boundary conditions at the surface of fuel droplet hydrocarbons: An atomistic computational fluid dynamics simulation

    PubMed Central

    Nasiri, Rasoul

    2016-01-01

    The role of boundary conditions at the interface for both Boltzmann equation and the set of Navier-Stokes equations have been suggested to be important for studying of multiphase flows such as evaporation/condensation process which doesn’t always obey the equilibrium conditions. Here we present aspects of transition-state theory (TST) alongside with kinetic gas theory (KGT) relevant to the study of quasi-equilibrium interfacial phenomena and the equilibrium gas phase processes, respectively. A two-state mathematical model for long-chain hydrocarbons which have multi-structural specifications is introduced to clarify how kinetics and thermodynamics affect evaporation/condensation process at the surface of fuel droplet, liquid and gas phases and then show how experimental observations for a number of n-alkane may be reproduced using a hybrid framework TST and KGT with physically reasonable parameters controlling the interface, gas and liquid phases. The importance of internal activation dynamics at the surface of n-alkane droplets is established during the evaporation/condensation process. PMID:27215897

  16. Structure and Function in Homodimeric Enzymes: Simulations of Cooperative and Independent Functional Motions.

    PubMed

    Wells, Stephen A; van der Kamp, Marc W; McGeagh, John D; Mulholland, Adrian J

    2015-01-01

    Large-scale conformational change is a common feature in the catalytic cycles of enzymes. Many enzymes function as homodimers with active sites that contain elements from both chains. Symmetric and anti-symmetric cooperative motions in homodimers can potentially lead to correlated active site opening and/or closure, likely to be important for ligand binding and release. Here, we examine such motions in two different domain-swapped homodimeric enzymes: the DcpS scavenger decapping enzyme and citrate synthase. We use and compare two types of all-atom simulations: conventional molecular dynamics simulations to identify physically meaningful conformational ensembles, and rapid geometric simulations of flexible motion, biased along normal mode directions, to identify relevant motions encoded in the protein structure. The results indicate that the opening/closure motions are intrinsic features of both unliganded enzymes. In DcpS, conformational change is dominated by an anti-symmetric cooperative motion, causing one active site to close as the other opens; however a symmetric motion is also significant. In CS, we identify that both symmetric (suggested by crystallography) and asymmetric motions are features of the protein structure, and as a result the behaviour in solution is largely non-cooperative. The agreement between two modelling approaches using very different levels of theory indicates that the behaviours are indeed intrinsic to the protein structures. Geometric simulations correctly identify and explore large amplitudes of motion, while molecular dynamics simulations indicate the ranges of motion that are energetically feasible. Together, the simulation approaches are able to reveal unexpected functionally relevant motions, and highlight differences between enzymes.

  17. Structure and Function in Homodimeric Enzymes: Simulations of Cooperative and Independent Functional Motions

    PubMed Central

    McGeagh, John D.; Mulholland, Adrian J.

    2015-01-01

    Large-scale conformational change is a common feature in the catalytic cycles of enzymes. Many enzymes function as homodimers with active sites that contain elements from both chains. Symmetric and anti-symmetric cooperative motions in homodimers can potentially lead to correlated active site opening and/or closure, likely to be important for ligand binding and release. Here, we examine such motions in two different domain-swapped homodimeric enzymes: the DcpS scavenger decapping enzyme and citrate synthase. We use and compare two types of all-atom simulations: conventional molecular dynamics simulations to identify physically meaningful conformational ensembles, and rapid geometric simulations of flexible motion, biased along normal mode directions, to identify relevant motions encoded in the protein structure. The results indicate that the opening/closure motions are intrinsic features of both unliganded enzymes. In DcpS, conformational change is dominated by an anti-symmetric cooperative motion, causing one active site to close as the other opens; however a symmetric motion is also significant. In CS, we identify that both symmetric (suggested by crystallography) and asymmetric motions are features of the protein structure, and as a result the behaviour in solution is largely non-cooperative. The agreement between two modelling approaches using very different levels of theory indicates that the behaviours are indeed intrinsic to the protein structures. Geometric simulations correctly identify and explore large amplitudes of motion, while molecular dynamics simulations indicate the ranges of motion that are energetically feasible. Together, the simulation approaches are able to reveal unexpected functionally relevant motions, and highlight differences between enzymes. PMID:26241964

  18. Perturbation theory from automorphic forms

    NASA Astrophysics Data System (ADS)

    Lambert, Neil; West, Peter

    2010-05-01

    Using our previous construction of Eisenstein-like automorphic forms we derive formulae for the perturbative and non-perturbative parts for any group and representation. The result is written in terms of the weights of the representation and the derivation is largely group theoretical. Specialising to the E n+1 groups relevant to type II string theory and the representation associated with node n + 1 of the E n+1 Dynkin diagram we explicitly find the perturbative part in terms of String Theory variables, such as the string coupling g d and volume V n . For dimensions seven and higher we find that the perturbation theory involves only two terms. In six dimensions we construct the SO(5, 5) automorphic form using the vector representation. Although these automorphic forms are generally compatible with String Theory, the one relevant to R 4 involves terms with g d -6 and so is problematic. We then study a constrained SO(5, 5) automorphic form, obtained by summing over null vectors, and compute its perturbative part. We find that it is consistent with String Theory and makes precise predictions for the perturbative results. We also study the unconstrained automorphic forms for E 6 in the 27 representation and E 7 in the 133 representation, giving their perturbative part and commenting on their role in String Theory.

  19. The Measurement of Term Importance in Automatic Indexing.

    ERIC Educational Resources Information Center

    Salton, G.; And Others

    1981-01-01

    Reviews major term-weighting theories, presents methods for estimating the relevance properties of terms based on their frequency characteristics in a document collection, and compares weighting systems using term relevance properties with more conventional frequency-based methodologies. Eighteen references are cited. (Author/FM)

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

    Field, Kevin G.; Yang, Ying; Busby, Jeremy T.

    Radiation induced segregation (RIS) is a well-studied phenomena which occurs in many structurally relevant nuclear materials including austenitic stainless steels. RIS occurs due to solute atoms preferentially coupling to mobile point defect fluxes that migrate and interact with defect sinks. Here, a 304 stainless steel was neutron irradiated up to 47.1 dpa at 320 °C. Investigations into the RIS response at specific grain boundary types were utilized to determine the sink characteristics of different boundary types as a function of irradiation dose. A rate theory model built on the foundation of the modified inverse Kirkendall (MIK) model is proposed andmore » benchmarked to the experimental results. This model, termed the GiMIK model, includes alterations in the boundary conditions based on grain boundary structure and includes expressions for interstitial binding. This investigation, through experiment and modeling, found specific grain boundary structures exhibit unique defect sink characteristics depending on their local structure. Furthermore, such interactions were found to be consistent across all doses investigated and had larger global implications including precipitation of Ni-Si clusters near different grain boundary types.« less

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