Bourdieu's theory of practice and its potential in nursing research.

PubMed

Rhynas, Sarah J

2005-04-01

This paper seeks to consider the utility of Bourdieu's "Theory of Practice" in nursing, and considers specifically its use as a framework for research exploring nurses' conceptualizations of illness and the patients in their care. Bourdieu's work uses the concepts of field, capital and habitus to explain interactions within the social world. This paper describes these concepts and their relationship with nursing is discussed using dementia care as an example. The work of French scholar Pierre Bourdieu has contributed to debates throughout the social sciences, but has had relatively little attention in the nursing literature. Pierre Bourdieu's work developed against a backdrop of change in the academic world. The emergence of the social sciences and the debate around objective and subjective styles of research were influential in the development of his "Theory of Practice". The importance of the conceptualization process is discussed, and the considerable potential influence of conceptualization on patient care is highlighted. Reflexivity is a cornerstone of Bourdieu's work, and is an important feature of nursing research. Examples of health care research using his work as a framework are discussed, and some of the challenges of the approach are outlined. The use of Bourdieu's "Theory of Practice" as a research framework could allow nurse researchers to explore the interactions of nurses with the structures, agents and symbols of illness within the field of care. This work could enhance understanding of how nurses view and react to patients in their care, and promote the development of practice innovations and policy change. The theory may, therefore, have much to offer future nursing research.

The Philosophical Works of Ludwik Fleck and Their Potential Meaning for Teaching and Learning Science

NASA Astrophysics Data System (ADS)

Stuckey, Marc; Heering, Peter; Mamlok-Naaman, Rachel; Hofstein, Avi; Eilks, Ingo

2015-04-01

This paper discusses essential elements of the philosophical works of Ludwik Fleck (1896-1961) and their potential interpretation for the teaching and learning of science. In the early twentieth century, Fleck made substantial contributions to understanding the sociological character of the nature of science and explaining the embedding of science in society. His works have several parallels to the later and very popular work, The Structure of Scientific Revolutions, by Thomas S. Kuhn, although Kuhn only indirectly referred to the influence of Fleck on his own theories. Starting from a short review of the life of Ludwik Fleck, his philosophical work and its connections to Kuhn, this paper elaborates upon and illustrates how his theories can be considered for science education in order to provide learners with a better understanding of the nature of scientific endeavor and the bi-directional science-to-society links.

Towards overcoming the Monte Carlo sign problem with tensor networks

NASA Astrophysics Data System (ADS)

Bañuls, Mari Carmen; Cichy, Krzysztof; Ignacio Cirac, J.; Jansen, Karl; Kühn, Stefan; Saito, Hana

2017-03-01

The study of lattice gauge theories with Monte Carlo simulations is hindered by the infamous sign problem that appears under certain circumstances, in particular at non-zero chemical potential. So far, there is no universal method to overcome this problem. However, recent years brought a new class of non-perturbative Hamiltonian techniques named tensor networks, where the sign problem is absent. In previous work, we have demonstrated that this approach, in particular matrix product states in 1+1 dimensions, can be used to perform precise calculations in a lattice gauge theory, the massless and massive Schwinger model. We have computed the mass spectrum of this theory, its thermal properties and real-time dynamics. In this work, we review these results and we extend our calculations to the case of two flavours and non-zero chemical potential. We are able to reliably reproduce known analytical results for this model, thus demonstrating that tensor networks can tackle the sign problem of a lattice gauge theory at finite density.

Practitioner Research and Literacy Studies: Toward More Dialogic Methodologies

ERIC Educational Resources Information Center

Simon, Rob; Campano, Gerald; Broderick, Debora; Pantoja, Alicia

2012-01-01

This article examines the potential of practitioner research to contribute to understandings of critical and transformative literacy theories. Drawing upon the work of intellectual historian Dominick LaCapra (2004), we investigate how practitioner research can reconcile theories proliferated from universities with those generated by practitioners,…

Does Tracing Worked Examples Enhance Geometry Learning?

ERIC Educational Resources Information Center

Hu, Fang-Tzu; Ginns, Paul; Bobis, Janette

2014-01-01

Cognitive load theory seeks to generate novel instructional designs through a focus on human cognitive architecture including a limited working memory; however, the potential for enhancing learning through non-visual or non-auditory working memory channels is yet to be evaluated. This exploratory experiment tested whether explicit instructions to…

A comparison of design variables for control theory based airfoil optimization

NASA Technical Reports Server (NTRS)

Reuther, James; Jameson, Antony

1995-01-01

This paper describes the implementation of optimization techniques based on control theory for airfoil design. In our previous work in the area it was shown that control theory could be employed to devise effective optimization procedures for two-dimensional profiles by using either the potential flow or the Euler equations with either a conformal mapping or a general coordinate system. We have also explored three-dimensional extensions of these formulations recently. The goal of our present work is to demonstrate the versatility of the control theory approach by designing airfoils using both Hicks-Henne functions and B-spline control points as design variables. The research also demonstrates that the parameterization of the design space is an open question in aerodynamic design.

The Glass Ceiling: Potential Causes and Possible Solutions

DTIC Science & Technology

1993-12-01

to believe that racism and sexism are no longer a problem at the workplace. For example, in response to a question about whether women face unique...unrelated. The variables, findings, and theories treated in each of these sections interact repeatedly. Finally, Section V, "Conclusions and... theories exist as to the effects of working in jobs with power limitations. Structuralist theory states that the lack of information and support that

Influence of electric field on interwell tunneling rate in quasi two dimensional organic quantum wells

NASA Astrophysics Data System (ADS)

Donovan, K. J.; Elliott, J. E.; Jeong, I. S.; Scott, K.; Wilson, E. G.

2000-11-01

The tunneling rate of photocreated charge carriers between layers in Langmuir-Blodgett multilayer structures is measured indirectly using the novel technique of bimolecular recombination quenching. The tunneling rate is demonstrated to be dependent upon the applied electrostatic potential difference between the layers. This dependence is explored in light of the Marcus theory of charge transfer. That theory was developed to describe redox reactions where the driving force is supplied by a chemical potential difference between two chemically different parts of a more complex system. In the current work the electrostatic potential replaces the chemical potential as the driving potential. The field dependence of the exciton dissociation probability is also determined.

Letting the Drama into Group Work: Using Conflict Constructively in Performing Arts Group Practice

ERIC Educational Resources Information Center

Crossley, Tracy

2006-01-01

The article examines conflict avoidance in performing arts group work and issues arising in relation to teaching and learning. In group theory, conflict is addressed largely in terms of its detrimental effects on group work, and its constructive potential is often marginalized. Similarly, undergraduate students usually interpret "effective…

Interpretation of the Rasch Ability and Difficulty Scales for Educational Purposes.

ERIC Educational Resources Information Center

Woodcock, Richard W.

Though many test developers have utilized item response theory in their work, few have taken advantage of the potential of item response theory for providing new interpretation procedures that accentuate the educational implications to be drawn from test scores. This paper describes several features, based upon the Rasch difficulty and ability…

Newtonian potential and geodesic completeness in infinite derivative gravity

NASA Astrophysics Data System (ADS)

Edholm, James; Conroy, Aindriú

2017-08-01

Recent study has shown that a nonsingular oscillating potential—a feature of infinite derivative gravity theories—matches current experimental data better than the standard General Relativity potential. In this work, we show that this nonsingular oscillating potential can be given by a wider class of theories which allows the defocusing of null rays and therefore geodesic completeness. We consolidate the conditions whereby null geodesic congruences may be made past complete, via the Raychaudhuri equation, with the requirement of a nonsingular Newtonian potential in an infinite derivative gravity theory. In doing so, we examine a class of Newtonian potentials characterized by an additional degree of freedom in the scalar propagator, which returns the familiar potential of General Relativity at large distances.

A theoretical study of the adiabatic and vertical ionization potentials of water.

PubMed

Feller, David; Davidson, Ernest R

2018-06-21

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

Recent developments in rotary-wing aerodynamic theory

NASA Technical Reports Server (NTRS)

Johnson, W.

1986-01-01

Current progress in the computational analysis of rotary-wing flowfields is surveyed, and some typical results are presented in graphs. Topics examined include potential theory, rotating coordinate systems, lifting-surface theory (moving singularity, fixed wing, and rotary wing), panel methods (surface singularity representations, integral equations, and compressible flows), transonic theory (the small-disturbance equation), wake analysis (hovering rotor-wake models and transonic blade-vortex interaction), limitations on computational aerodynamics, and viscous-flow methods (dynamic-stall theories and lifting-line theory). It is suggested that the present algorithms and advanced computers make it possible to begin working toward the ultimate goal of turbulent Navier-Stokes calculations for an entire rotorcraft.

Fundamental Physical Basis for Maxwell-Heaviside Gravitomagnetism

NASA Astrophysics Data System (ADS)

Nyambuya, Golden Gadzirayi

2015-08-01

Gravitomagnetism is universally and formally recognised in contemporary physics as being the linear first-order approximation of Einstein's field equations emerging from the General Theory of Relativity (GTR). Herein, we argue that, as has been done by others in the past, gravitomagnetism can be viewed as a fully-fledged independent theory of gravitomagnetism that can be divorced from Professor Einstein's GTR. The gravitomagnetic theory whose exposition we give herein is exactly envisioned by Professor Maxwell and Dr. Heaviside. The once speculative Maxwell-Heaviside Gravitomagnetic theory now finds full justification as a fully fledged theory from Professor José Hera's Existence Theorem which states that all that is needed for there to exist the four Max-well-type field equations is that a mass-current conservation law be obeyed. Our contribution in the present work, if any, is that we demonstrate conclusively that like electromagnetism, the gravitomagnetic phenomenon leads to the prediction of gravitomagnetic waves that travel at the speed of light. Further, we argue that for the gravitational phenomenon, apart from the Newtonian gravitational potential, there are four more potentials and these operate concurrently with the Newtonian potential. At the end of it, it is seen that the present work sets the stage for a very interesting investigation of several gravitational anomalies such as the ponderous Pioneer Anomaly, the vexing Flyby Anomalies, the mysterious Anomalous Rotation Curves of Spiral Galaxies and as well, the possibility of the generation of stellar magnetic fields by rotating gravitational masses.

It's a Profane Life: Giorgio Agamben on the Freedom of Im-Potentiality in Education

ERIC Educational Resources Information Center

Lewis, Tyson Edward

2014-01-01

In this article, I explore the importance of Giorgio Agamben's theory of potentiality for rethinking education. While potentiality has been a long-standing concern for educational practitioners and theorists, Agamben's work is unique in that it emphasizes how potentiality can only be thought of in relation to impotentiality. This moment…

The Challenges of Work-Based Learning in the Changing Context of the European Higher Education Area

ERIC Educational Resources Information Center

Schmidt, Reinhard; Gibbs, Paul

2009-01-01

This article discusses the key features of the common European framework for work-based learning (WBL) of the "Developing European Work Based Learning Approaches and Methods" (DEWBLAM) project (2003-2006). It examines the context of recent European initiatives and comments on the potential implications for policy, practice and theory,…

Selection Dynamics in Joint Matching to Rate and Magnitude of Reinforcement

ERIC Educational Resources Information Center

McDowell, J. J.; Popa, Andrei; Calvin, Nicholas T.

2012-01-01

Virtual organisms animated by a selectionist theory of behavior dynamics worked on concurrent random interval schedules where both the rate and magnitude of reinforcement were varied. The selectionist theory consists of a set of simple rules of selection, recombination, and mutation that act on a population of potential behaviors by means of a…

Dynamics of cosmological perturbations in modified Brans-Dicke cosmology with matter-scalar field interaction

NASA Astrophysics Data System (ADS)

Kofinas, Georgios; Lima, Nelson A.

2017-10-01

In this work we focus on a novel completion of the well-known Brans-Dicke theory that introduces an interaction between the dark energy and dark matter sectors, known as complete Brans-Dicke (CBD) theory. We obtain viable cosmological accelerating solutions that fit supernovae observations with great precision without any scalar potential V (ϕ ). We use these solutions to explore the impact of the CBD theory on the large scale structure by studying the dynamics of its linear perturbations. We observe a growing behavior of the lensing potential Φ+ at late-times, while the growth rate is actually suppressed relatively to Λ CDM , which allows the CBD theory to provide a competitive fit to current RSD measurements of f σ8. However, we also observe that the theory exhibits a pathological change of sign in the effective gravitational constant concerning the perturbations on subhorizon scales that could pose a challenge to its validity.

Reading Balint group work through Lacan's theory of the four discourses.

PubMed

Van Roy, Kaatje; Marché-Paillé, Anne; Geerardyn, Filip; Vanheule, Stijn

2016-02-05

In Balint groups, (para)medical professionals explore difficult interactions with patients by means of case presentations and discussions. As the process of Balint group work is not well understood, this article investigates Balint group meetings by making use of Lacan's theory of the four discourses. Five Balint group case presentations and their subsequent group discussion were studied, resulting in the observation of five crucial aspects of Balint group work. First, Balint group participants brought puzzlement to the group, which is indicative of the structural impossibility Lacan situates at the basis of all discourse (1). As for the group discussion, we emphasize 'hysterization' as a crucial process in Balint group work (2), the supporting role of the discourse of the analyst (3) and the centrality of discourse interactions (4). Finally, the potential transformation of the initial puzzlement is discussed (5). We conclude by putting forth the uniqueness of Balint group work as well as the potential usefulness of our analysis as a framework for Balint group leaders and professionals in charge of continuing medical education. © The Author(s) 2016.

Theory of mind and verbal working memory deficits in parents of autistic children.

PubMed

Gokcen, Sezen; Bora, Emre; Erermis, Serpil; Kesikci, Hande; Aydin, Cahide

2009-03-31

The objective of this study was to investigate the potential values of executive function and social cognition deficits as endophenotypes of autism. While theory of mind (ToM) is generally accepted as a unitary concept, some have suggested that ToM may be separated into two components (mental state reasoning and decoding). In this study, both aspects of ToM and verbal working memory abilities were investigated with relatively demanding tasks. The authors used a neurocognitive battery to compare the executive function and social cognition skills of 76 parents of autistic probands with 41 parents of healthy children. Both groups were matched for IQ, age and gender. Index parents had verbal working memory deficits. They had also low performance on a mental state reasoning task. Index parents had difficulties in reasoning about others' emotions. In contrast to findings in the control group, low performance of mental state reasoning ability was not associated with working memory deficit in index parents. Social cognition and working memory impairments may represent potential endophenotypes, related to an underlying vulnerability for autistic spectrum disorders.

Probing the electronic structure of liquid water with many-body perturbation theory

NASA Astrophysics Data System (ADS)

Pham, Tuan Anh; Zhang, Cui; Schwegler, Eric; Galli, Giulia

2014-03-01

We present a first-principles investigation of the electronic structure of liquid water based on many-body perturbation theory (MBPT), within the G0W0 approximation. The liquid quasiparticle band gap and the position of its valence band maximum and conduction band minimum with respect to vacuum were computed and it is shown that the use of MBPT is crucial to obtain results that are in good agreement with experiment. We found that the level of theory chosen to generate molecular dynamics trajectories may substantially affect the electronic structure of the liquid, in particular, the relative position of its band edges and redox potentials. Our results represent an essential step in establishing a predictive framework for computing the relative position of water redox potentials and the band edges of semiconductors and insulators. Work supported by DOE/BES (Grant No. DE-SC0008938). Work at LLNL was performed under Contract DE-AC52-07NA27344.

Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice–Ramsperger–Kassel theory

PubMed Central

Bao, Junwei Lucas; Zhang, Xin

2016-01-01

Bond dissociation is a fundamental chemical reaction, and the first principles modeling of the kinetics of dissociation reactions with a monotonically increasing potential energy along the dissociation coordinate presents a challenge not only for modern electronic structure methods but also for kinetics theory. In this work, we use multifaceted variable-reaction-coordinate variational transition-state theory (VRC-VTST) to compute the high-pressure limit dissociation rate constant of tetrafluoroethylene (C2F4), in which the potential energies are computed by direct dynamics with the M08-HX exchange correlation functional. To treat the pressure dependence of the unimolecular rate constants, we use the recently developed system-specific quantum Rice–Ramsperger–Kassel theory. The calculations are carried out by direct dynamics using an exchange correlation functional validated against calculations that go beyond coupled-cluster theory with single, double, and triple excitations. Our computed dissociation rate constants agree well with the recent experimental measurements. PMID:27834727

Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory.

PubMed

Bao, Junwei Lucas; Zhang, Xin; Truhlar, Donald G

2016-11-29

Bond dissociation is a fundamental chemical reaction, and the first principles modeling of the kinetics of dissociation reactions with a monotonically increasing potential energy along the dissociation coordinate presents a challenge not only for modern electronic structure methods but also for kinetics theory. In this work, we use multifaceted variable-reaction-coordinate variational transition-state theory (VRC-VTST) to compute the high-pressure limit dissociation rate constant of tetrafluoroethylene (C 2 F 4 ), in which the potential energies are computed by direct dynamics with the M08-HX exchange correlation functional. To treat the pressure dependence of the unimolecular rate constants, we use the recently developed system-specific quantum Rice-Ramsperger-Kassel theory. The calculations are carried out by direct dynamics using an exchange correlation functional validated against calculations that go beyond coupled-cluster theory with single, double, and triple excitations. Our computed dissociation rate constants agree well with the recent experimental measurements.

Multicomponent Separation Potential. Generalization of the Dirac Theory

NASA Astrophysics Data System (ADS)

Palkin, V. A.; Gadel‧shin, V. M.; Aleksandrov, O. E.; Seleznev, V. D.

2014-05-01

Formulas for the separation potential and the separative power have been obtained in the present work by generalizing the classical theory of Dirac, with the observance of his two axioms, to the case of a multicomponent mixture without considering a concrete cascade scheme. The resulting expressions are general characteristics of a separation process, since they are applicable to any separation methods and are independentof the form of the components in the mixture. They can be used in constructing actual cascades for separation of multicomponent mixtures and in determining the indices of their effi ciency.

Potential Energy Surface of the Chromium Dimer Re-re-revisited with Multiconfigurational Perturbation Theory.

PubMed

Vancoillie, Steven; Malmqvist, Per Åke; Veryazov, Valera

2016-04-12

The chromium dimer has long been a benchmark molecule to evaluate the performance of different computational methods ranging from density functional theory to wave function methods. Among the latter, multiconfigurational perturbation theory was shown to be able to reproduce the potential energy surface of the chromium dimer accurately. However, for modest active space sizes, it was later shown that different definitions of the zeroth-order Hamiltonian have a large impact on the results. In this work, we revisit the system for the third time with multiconfigurational perturbation theory, now in order to increase the active space of the reference wave function. This reduces the impact of the choice of zeroth-order Hamiltonian and improves the shape of the potential energy surface significantly. We conclude by comparing our results of the dissocation energy and vibrational spectrum to those obtained from several highly accurate multiconfigurational methods and experiment. For a meaningful comparison, we used the extrapolation to the complete basis set for all methods involved.

Meson properties in asymmetric matter

NASA Astrophysics Data System (ADS)

Mammarella, Andrea; Mannarelli, Massimo

2018-03-01

In this work we study dynamic and thermodynamic (at T = 0) properties of mesons in asymmetric matter in the framework of Chiral Perturbation Theory. We consider a system at vanishing temperature with nonzero isospin chemical potential and strangeness chemical potential; meson masses and mixing in the normal phase, the pion condensation phase and the kaon condensation phase are described. We find differences with previous works, but the results presented here are supported by both theory group analysis and by direct calculations. Some pion decay channels in the normal and the pion condensation phases are studied, finding a nonmonotonic behavior of the decay width as a function of µ I . Furthermore, pressure, density and equation of state of the system at T = 0 are studied, finding remarkable agreement with analogue studies performed by lattice calculations.

Quasi-degenerate perturbation theory using matrix product states

NASA Astrophysics Data System (ADS)

Sharma, Sandeep; Jeanmairet, Guillaume; Alavi, Ali

2016-01-01

In this work, we generalize the recently proposed matrix product state perturbation theory (MPSPT) for calculating energies of excited states using quasi-degenerate (QD) perturbation theory. Our formulation uses the Kirtman-Certain-Hirschfelder canonical Van Vleck perturbation theory, which gives Hermitian effective Hamiltonians at each order, and also allows one to make use of Wigner's 2n + 1 rule. Further, our formulation satisfies Granovsky's requirement of model space invariance which is important for obtaining smooth potential energy curves. Thus, when we use MPSPT with the Dyall Hamiltonian, we obtain a model space invariant version of quasi-degenerate n-electron valence state perturbation theory (NEVPT), a property that the usual formulation of QD-NEVPT2 based on a multipartitioning technique lacked. We use our method on the benchmark problems of bond breaking of LiF which shows ionic to covalent curve crossing and the twist around the double bond of ethylene where significant valence-Rydberg mixing occurs in the excited states. In accordance with our previous work, we find that multi-reference linearized coupled cluster theory is more accurate than other multi-reference theories of similar cost.

Numerical Implementation of a Multiple-ISV Thermodynamically-Based Work Potential Theory for Modeling Progressive Damage and Failure in Fiber-Reinforced Laminates

NASA Technical Reports Server (NTRS)

Pineda, Evan J.; Waas, Anthony M.

2011-01-01

A thermodynamically-based work potential theory for modeling progressive damage and failure in fiber-reinforced laminates is presented. The current, multiple-internal state variable (ISV) formulation, enhanced Schapery theory (EST), utilizes separate ISVs for modeling the effects of damage and failure. Damage is considered to be the effect of any structural changes in a material that manifest as pre-peak non-linearity in the stress versus strain response. Conversely, failure is taken to be the effect of the evolution of any mechanisms that results in post-peak strain softening. It is assumed that matrix microdamage is the dominant damage mechanism in continuous fiber-reinforced polymer matrix laminates, and its evolution is controlled with a single ISV. Three additional ISVs are introduced to account for failure due to mode I transverse cracking, mode II transverse cracking, and mode I axial failure. Typically, failure evolution (i.e., post-peak strain softening) results in pathologically mesh dependent solutions within a finite element method (FEM) setting. Therefore, consistent character element lengths are introduced into the formulation of the evolution of the three failure ISVs. Using the stationarity of the total work potential with respect to each ISV, a set of thermodynamically consistent evolution equations for the ISVs is derived. The theory is implemented into commercial FEM software. Objectivity of total energy dissipated during the failure process, with regards to refinements in the FEM mesh, is demonstrated. The model is also verified against experimental results from two laminated, T800/3900-2 panels containing a central notch and different fiber-orientation stacking sequences. Global load versus displacement, global load versus local strain gage data, and macroscopic failure paths obtained from the models are compared to the experiments.

A Thermodynamically-Based Mesh Objective Work Potential Theory for Predicting Intralaminar Progressive Damage and Failure in Fiber-Reinforced Laminates

NASA Technical Reports Server (NTRS)

Pineda, Evan J.; Waas, Anthony M.

2012-01-01

A thermodynamically-based work potential theory for modeling progressive damage and failure in fiber-reinforced laminates is presented. The current, multiple-internal state variable (ISV) formulation, enhanced Schapery theory (EST), utilizes separate ISVs for modeling the effects of damage and failure. Damage is considered to be the effect of any structural changes in a material that manifest as pre-peak non-linearity in the stress versus strain response. Conversely, failure is taken to be the effect of the evolution of any mechanisms that results in post-peak strain softening. It is assumed that matrix microdamage is the dominant damage mechanism in continuous fiber-reinforced polymer matrix laminates, and its evolution is controlled with a single ISV. Three additional ISVs are introduced to account for failure due to mode I transverse cracking, mode II transverse cracking, and mode I axial failure. Typically, failure evolution (i.e., post-peak strain softening) results in pathologically mesh dependent solutions within a finite element method (FEM) setting. Therefore, consistent character element lengths are introduced into the formulation of the evolution of the three failure ISVs. Using the stationarity of the total work potential with respect to each ISV, a set of thermodynamically consistent evolution equations for the ISVs is derived. The theory is implemented into commercial FEM software. Objectivity of total energy dissipated during the failure process, with regards to refinements in the FEM mesh, is demonstrated. The model is also verified against experimental results from two laminated, T800/3900-2 panels containing a central notch and different fiber-orientation stacking sequences. Global load versus displacement, global load versus local strain gage data, and macroscopic failure paths obtained from the models are compared to the experiments.

Autobiographical memory in adults with autism spectrum disorder: the role of depressed mood, rumination, working memory and theory of mind.

PubMed

Crane, Laura; Goddard, Lorna; Pring, Linda

2013-03-01

Autobiographical memory difficulties have been widely reported in adults with autism spectrum disorder (ASD). The aim of the current study was to explore the potential correlates of autobiographical memory performance (including depressed mood, rumination, working memory and theory of mind) in adults with ASD, relative to a group of typical adults matched for age, gender and IQ. Results demonstrated that the adults with ASD reported higher levels of depressed mood and rumination than the typical adults, and also received lower scores on measures of theory of mind and working memory. Correlational analysis suggested that theory of mind and working memory were associated with autobiographical memory performance in the adults with ASD, but no significant relationships were observed between autobiographical memory, depressed mood and rumination in this group. To explore these patterns further, two cases of adults with a dual diagnosis of ASD and depression are discussed. These participants present a profile in line with the idea that depressed mood and rumination do not have the same influence on autobiographical memory in adults with ASD as they do in typical adults.

When is a theory a theory? A case example.

PubMed

Alkin, Marvin C

2017-08-01

This discussion comments on the approximately 20years history of writings on the prescriptive theory called Empowerment Evaluation. To do so, involves examining how "Empowerment Evaluation Theory" has been defined at various points of time (particularly 1996 and now in 2015). Defining a theory is different from judging the success of a theory. This latter topic has been addressed elsewhere by Michael Scriven, Michael Patton, and Brad Cousins. I am initially guided by the work of Robin Miller (2010) who has written on the issue of how to judge the success of a theory. In doing so, she provided potential standards for judging the adequacy of theories. My task is not judging the adequacy or success of the Empowerment Evaluation prescriptive theory in practice, but determining how well the theory is delineated. That is, to what extent do the writings qualify as a prescriptive theory. Copyright © 2016 Elsevier Ltd. All rights reserved.

Giving and Receiving Social Support at Work: The Roles of Personality and Reciprocity

ERIC Educational Resources Information Center

Bowling, Nathan A.; Beehr, Terry A.; Swader, William M.

2005-01-01

Social support is an important variable in occupational stress research and theory, yet little is know about the factors that influence the amount of social support one gives, and receives at work. We examined personality (extraversion, neuroticism, and agreeableness) and reciprocity as potential antecedents to giving and receiving support from…

Linking Rubrics and Academic Performance: An Engagement Theory Perspective

ERIC Educational Resources Information Center

Francis, Julie Elizabeth

2018-01-01

While marking rubrics offer a range of potential benefits for students and staff, educators are working to develop a richer understanding of the most effective ways to unlock these benefits. This study contributes by examining the link between rubrics and performance through the lens of student engagement. The work introduced an assessment rubric…

Sweat Therapy Theory, Practice, and Efficacy

ERIC Educational Resources Information Center

Eason, Allen; Colmant, Stephen; Winterowd, Carrie

2009-01-01

The purpose of this article is to examine the potential application of sweat rituals to group counseling, adventure therapy, and other forms of group work by describing a theoretical model for how sweat rituals work and presenting the results of a randomized comparative outcome study on the efficacy of sweat therapy. The theoretical model proposes…

Teaching Note--Incorporating Social Innovation Content into Macro Social Work Education

ERIC Educational Resources Information Center

Pitt-Catsouphes, Marcie; Cosner Berzin, Stephanie

2015-01-01

The practice of social innovation offers promising approaches for addressing social issues. Although many social innovation strategies are congruent with macro social work theory and practice, some of the insights and tactics that have emerged in the social innovation field have the potential to strengthen current macro practice. Based on our…

Angular-momentum couplings in ultra-long-range giant dipole molecules

NASA Astrophysics Data System (ADS)

Stielow, Thomas; Scheel, Stefan; Kurz, Markus

2018-02-01

In this article we extend the theory of ultra-long-range giant dipole molecules, formed by an atom in a giant dipole state and a ground-state alkali-metal atom, by angular-momentum couplings known from recent works on Rydberg molecules. In addition to s -wave scattering, the next higher order of p -wave scattering in the Fermi pseudopotential describing the binding mechanism is considered. Furthermore, the singlet and triplet channels of the scattering interaction as well as angular-momentum couplings such as hyperfine interaction and Zeeman interactions are included. Within the framework of Born-Oppenheimer theory, potential energy surfaces are calculated in both first-order perturbation theory and exact diagonalization. Besides the known pure triplet states, mixed-spin character states are obtained, opening up a whole new landscape of molecular potentials. We determine exact binding energies and wave functions of the nuclear rotational and vibrational motion numerically from the various potential energy surfaces.

Ground-state energies and highest occupied eigenvalues of atoms in exchange-only density-functional theory

NASA Astrophysics Data System (ADS)

Li, Yan; Harbola, Manoj K.; Krieger, J. B.; Sahni, Viraht

1989-11-01

The exchange-correlation potential of the Kohn-Sham density-functional theory has recently been interpreted as the work required to move an electron against the electric field of its Fermi-Coulomb hole charge distribution. In this paper we present self-consistent results for ground-state total energies and highest occupied eigenvalues of closed subshell atoms as obtained by this formalism in the exchange-only approximation. The total energies, which are an upper bound, lie within 50 ppm of Hartree-Fock theory for atoms heavier than Be. The highest occupied eigenvalues, as a consequence of this interpretation, approximate well the experimental ionization potentials. In addition, the self-consistently calculated exchange potentials are very close to those of Talman and co-workers [J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976); K. Aashamar, T. M. Luke, and J. D. Talman, At. Data Nucl. Data Tables 22, 443 (1978)].

Associations between a Leader's Work Passion and an Employee's Work Passion: A Moderated Mediation Model

PubMed Central

Li, Jingjing; Zhang, Jian; Yang, Zhiguo

2017-01-01

Based on the theory of emotional contagion and goal content, this study explored the positive associations between a leader's work passion and employees' work passion. This study investigated 364 employees and their immediate leaders from China, constructed a moderated mediation model, and used SPSS-PROCESS in conjunction with the Johnson-Neyman technique to analyze the data. The results showed that a leader's work passion was transferred to employees via emotional contagion, and the contagion process was moderated by leader–employee goal content congruence. This study provides a potential way to stimulate employees' work passion from the perspective of leader–employee interactions. Moreover, the limitations of the study and potential topics for future research are discussed. PMID:28894430

Associations between a Leader's Work Passion and an Employee's Work Passion: A Moderated Mediation Model.

PubMed

Li, Jingjing; Zhang, Jian; Yang, Zhiguo

2017-01-01

Based on the theory of emotional contagion and goal content, this study explored the positive associations between a leader's work passion and employees' work passion. This study investigated 364 employees and their immediate leaders from China, constructed a moderated mediation model, and used SPSS-PROCESS in conjunction with the Johnson-Neyman technique to analyze the data. The results showed that a leader's work passion was transferred to employees via emotional contagion, and the contagion process was moderated by leader-employee goal content congruence. This study provides a potential way to stimulate employees' work passion from the perspective of leader-employee interactions. Moreover, the limitations of the study and potential topics for future research are discussed.

Comparison of non-ideal solution theories for multi-solute solutions in cryobiology and tabulation of required coefficients.

PubMed

Zielinski, Michal W; McGann, Locksley E; Nychka, John A; Elliott, Janet A W

2014-10-01

Thermodynamic solution theories allow the prediction of chemical potentials in solutions of known composition. In cryobiology, such models are a critical component of many mathematical models that are used to simulate the biophysical processes occurring in cells and tissues during cryopreservation. A number of solution theories, both thermodynamically ideal and non-ideal, have been proposed for use with cryobiological solutions. In this work, we have evaluated two non-ideal solution theories for predicting water chemical potential (i.e. osmolality) in multi-solute solutions relevant to cryobiology: the Elliott et al. form of the multi-solute osmotic virial equation, and the Kleinhans and Mazur freezing point summation model. These two solution theories require fitting to only single-solute data, although they can make predictions in multi-solute solutions. The predictions of these non-ideal solution theories were compared to predictions made using ideal dilute assumptions and to available literature multi-solute experimental osmometric data. A single, consistent set of literature single-solute solution data was used to fit for the required solute-specific coefficients for each of the non-ideal models. Our results indicate that the two non-ideal solution theories have similar overall performance, and both give more accurate predictions than ideal models. These results can be used to select between the non-ideal models for a specific multi-solute solution, and the updated coefficients provided in this work can be used to make the desired predictions. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

Assessing the polycyclic aromatic hydrocarbon anisotropic potential with application to the exfoliation energy of graphite.

PubMed

Totton, Tim S; Misquitta, Alston J; Kraft, Markus

2011-11-24

In this work we assess a recently published anisotropic potential for polycyclic aromatic hydrocarbon (PAH) molecules (J. Chem. Theory Comput. 2010, 6, 683-695). Comparison to recent high-level symmetry-adapted perturbation theory based on density functional theory (SAPT(DFT)) results for coronene (C(24)H(12)) demonstrate the transferability of the potential while highlighting some limitations with simple point charge descriptions of the electrostatic interaction. The potential is also shown to reproduce second virial coefficients of benzene (C(6)H(6)) with high accuracy, and this is enhanced by using a distributed multipole model for the electrostatic interaction. The graphene dimer interaction energy and the exfoliation energy of graphite have been estimated by extrapolation of PAH interaction energies. The contribution of nonlocal fluctuations in the π electron density in graphite have also been estimated which increases the exfoliation energy by 3.0 meV atom(-1) to 47.6 meV atom(-1), which compares well to recent theoretical and experimental results.

Alternative theories: Pregnancy and immune tolerance.

PubMed

Bonney, Elizabeth A

2017-09-01

For some time, reproductive immunologists have worked to understand the balance between maternal tolerance of the fetus, maternal health, and fetal protection which leads to successful pregnancy in mammalian species. We have always understood the potential importance of multiple factors, including nutrition, genetics, anatomy, hormonal regulation, environmental insult and many others. Yet, we still struggle to combine our knowledge of these factors and immunology to finally understand complex diseases of pregnancy, such as preeclampsia. Data, and potentially other factors (e.g. politics, economics), support the work to fit pregnancy into classical immune theory driven by the concept of self-non-self-discrimination. However, based on data, many classical theorists call pregnancy "a special case." This review is a first-pass suggestion to attempt to view three models of immune system activation and tolerance as potential alternatives to classical self-non-self-discrimination and to propose a theoretical framework to view them in the context of pregnancy. Copyright © 2017 Elsevier B.V. All rights reserved.

Criticality of the electron-nucleus cusp condition to local effective potential-energy theories

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

Pan Xiaoyin; Sahni, Viraht; Graduate School of the City University of New York, 360 Fifth Avenue, New York, New York 10016

2003-01-01

Local(multiplicative) effective potential energy-theories of electronic structure comprise the transformation of the Schroedinger equation for interacting Fermi systems to model noninteracting Fermi or Bose systems whereby the equivalent density and energy are obtained. By employing the integrated form of the Kato electron-nucleus cusp condition, we prove that the effective electron-interaction potential energy of these model fermions or bosons is finite at a nucleus. The proof is general and valid for arbitrary system whether it be atomic, molecular, or solid state, and for arbitrary state and symmetry. This then provides justification for all prior work in the literature based on themore » assumption of finiteness of this potential energy at a nucleus. We further demonstrate the criticality of the electron-nucleus cusp condition to such theories by an example of the hydrogen molecule. We show thereby that both model system effective electron-interaction potential energies, as determined from densities derived from accurate wave functions, will be singular at the nucleus unless the wave function satisfies the electron-nucleus cusp condition.« less

Perturbation theory of structure in classical liquid mixtures: Application to metallic systems near phase separation. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Henderson, R. L.

1974-01-01

The partial structure factors of classical simple liquid mixtures near phase separation are dicussed. The theory is developed for particles interacting through pair potentials, and is thus appropriate both to insulating fluids, and also to metallic systems if these may be described by an effective ion-ion pair interaction. The motivation arose from consideration of metallic liquid mixtures, in which resistive anomalies have been observed near phase separation. A mean field theory correction appropriate to 3 pair potential for the effects of correlated motions in the reference fluid is studied. The work is cast in terms of functions which are closely related to the direct correlation functions of Ornstein and Zernike. The results are qualitatively in accord with physical expectations. Quantitative agreement with experiment seems to turn on the selection of the hard core reference potential in terms of the metallic effective pair potential. It is suggested that the present effective pair potentials are perhaps not properly used to calculate the metallic structure factors at long wavelength.

Charged Compact Boson Stars in a Theory of Massless Scalar Field

NASA Astrophysics Data System (ADS)

Kumar, Sanjeev

2018-05-01

In this work we present some new results obtained in a study of the phase diagram of charged compact boson stars in a theory involving a complex scalar field with a conical potential coupled to a U(1) gauge field and gravity. We obtain new bifurcation points in this model. We present a detailed discussion of the various regions of the phase diagram with respect to the bifurcation points. The theory is seen to contain rich physics in a particular domain of the phase diagram.

Full three-body problem in effective-field-theory models of gravity

NASA Astrophysics Data System (ADS)

Battista, Emmanuele; Esposito, Giampiero

2014-10-01

Recent work in the literature has studied the restricted three-body problem within the framework of effective-field-theory models of gravity. This paper extends such a program by considering the full three-body problem, when the Newtonian potential is replaced by a more general central potential which depends on the mutual separations of the three bodies. The general form of the equations of motion is written down, and they are studied when the interaction potential reduces to the quantum-corrected central potential considered recently in the literature. A recursive algorithm is found for solving the associated variational equations, which describe small departures from given periodic solutions of the equations of motion. Our scheme involves repeated application of a 2×2 matrix of first-order linear differential operators.

Deriving Requirements for Pervasive Well-Being Technology From Work Stress and Intervention Theory: Framework and Case Study.

PubMed

Koldijk, Saskia; Kraaij, Wessel; Neerincx, Mark A

2016-07-05

Stress in office environments is a big concern, often leading to burn-out. New technologies are emerging, such as easily available sensors, contextual reasoning, and electronic coaching (e-coaching) apps. In the Smart Reasoning for Well-being at Home and at Work (SWELL) project, we explore the potential of using such new pervasive technologies to provide support for the self-management of well-being, with a focus on individuals' stress-coping. Ideally, these new pervasive systems should be grounded in existing work stress and intervention theory. However, there is a large diversity of theories and they hardly provide explicit directions for technology design. The aim of this paper is to present a comprehensive and concise framework that can be used to design pervasive technologies that support knowledge workers to decrease stress. Based on a literature study we identify concepts relevant to well-being at work and select different work stress models to find causes of work stress that can be addressed. From a technical perspective, we then describe how sensors can be used to infer stress and the context in which it appears, and use intervention theory to further specify interventions that can be provided by means of pervasive technology. The resulting general framework relates several relevant theories: we relate "engagement and burn-out" to "stress", and describe how relevant aspects can be quantified by means of sensors. We also outline underlying causes of work stress and how these can be addressed with interventions, in particular utilizing new technologies integrating behavioral change theory. Based upon this framework we were able to derive requirements for our case study, the pervasive SWELL system, and we implemented two prototypes. Small-scale user studies proved the value of the derived technology-supported interventions. The presented framework can be used to systematically develop theory-based technology-supported interventions to address work stress. In the area of pervasive systems for well-being, we identified the following six key research challenges and opportunities: (1) performing multi-disciplinary research, (2) interpreting personal sensor data, (3) relating measurable aspects to burn-out, (4) combining strengths of human and technology, (5) privacy, and (6) ethics.

The Development of Attention Systems and Working Memory in Infancy

PubMed Central

Reynolds, Greg D.; Romano, Alexandra C.

2016-01-01

In this article, we review research and theory on the development of attention and working memory in infancy using a developmental cognitive neuroscience framework. We begin with a review of studies examining the influence of attention on neural and behavioral correlates of an earlier developing and closely related form of memory (i.e., recognition memory). Findings from studies measuring attention utilizing looking measures, heart rate, and event-related potentials (ERPs) indicate significant developmental change in sustained and selective attention across the infancy period. For example, infants show gains in the magnitude of the attention related response and spend a greater proportion of time engaged in attention with increasing age (Richards and Turner, 2001). Throughout infancy, attention has a significant impact on infant performance on a variety of tasks tapping into recognition memory; however, this approach to examining the influence of infant attention on memory performance has yet to be utilized in research on working memory. In the second half of the article, we review research on working memory in infancy focusing on studies that provide insight into the developmental timing of significant gains in working memory as well as research and theory related to neural systems potentially involved in working memory in early development. We also examine issues related to measuring and distinguishing between working memory and recognition memory in infancy. To conclude, we discuss relations between the development of attention systems and working memory. PMID:26973473

The Development of Attention Systems and Working Memory in Infancy.

PubMed

Reynolds, Greg D; Romano, Alexandra C

2016-01-01

In this article, we review research and theory on the development of attention and working memory in infancy using a developmental cognitive neuroscience framework. We begin with a review of studies examining the influence of attention on neural and behavioral correlates of an earlier developing and closely related form of memory (i.e., recognition memory). Findings from studies measuring attention utilizing looking measures, heart rate, and event-related potentials (ERPs) indicate significant developmental change in sustained and selective attention across the infancy period. For example, infants show gains in the magnitude of the attention related response and spend a greater proportion of time engaged in attention with increasing age (Richards and Turner, 2001). Throughout infancy, attention has a significant impact on infant performance on a variety of tasks tapping into recognition memory; however, this approach to examining the influence of infant attention on memory performance has yet to be utilized in research on working memory. In the second half of the article, we review research on working memory in infancy focusing on studies that provide insight into the developmental timing of significant gains in working memory as well as research and theory related to neural systems potentially involved in working memory in early development. We also examine issues related to measuring and distinguishing between working memory and recognition memory in infancy. To conclude, we discuss relations between the development of attention systems and working memory.

Critical Analysis of Textbooks: Knowledge-Generating Logics and the Emerging Image of "Global Economic Contexts"

ERIC Educational Resources Information Center

Thoma, Michael

2017-01-01

This paper presents an approach to the critical analysis of textbook knowledge, which, working from a discourse theory perspective (based on the work of Foucault), refers to the performative nature of language. The critical potential of the approach derives from an analysis of knowledge-generating logics, which produce particular images of reality…

Finding Universals through Difference: Disability Theory's Potential to Empower Composition Studies

ERIC Educational Resources Information Center

Stanton, Courtney

2016-01-01

While much attention has been paid to the borders between those within and beyond the discipline of composition, the primary goal of this project is to examine the discourses which exist within composition and, subsequently, how these discourses might work to undermine pedagogy and scholarship. I take the position that even those working directly…

Prediction of Reduction Potentials of Copper Proteins with Continuum Electrostatics and Density Functional Theory

PubMed Central

Fowler, Nicholas J.; Blanford, Christopher F.

2017-01-01

Abstract Blue copper proteins, such as azurin, show dramatic changes in Cu2+/Cu+ reduction potential upon mutation over the full physiological range. Hence, they have important functions in electron transfer and oxidation chemistry and have applications in industrial biotechnology. The details of what determines these reduction potential changes upon mutation are still unclear. Moreover, it has been difficult to model and predict the reduction potential of azurin mutants and currently no unique procedure or workflow pattern exists. Furthermore, high‐level computational methods can be accurate but are too time consuming for practical use. In this work, a novel approach for calculating reduction potentials of azurin mutants is shown, based on a combination of continuum electrostatics, density functional theory and empirical hydrophobicity factors. Our method accurately reproduces experimental reduction potential changes of 30 mutants with respect to wildtype within experimental error and highlights the factors contributing to the reduction potential change. Finally, reduction potentials are predicted for a series of 124 new mutants that have not yet been investigated experimentally. Several mutants are identified that are located well over 10 Å from the copper center that change the reduction potential by more than 85 mV. The work shows that secondary coordination sphere mutations mostly lead to long‐range electrostatic changes and hence can be modeled accurately with continuum electrostatics. PMID:28815759

Moving towards an Integrated Theory of Policy Networks: A Multi-Theoretical Approach for Examining State-Level Policy Change in U.S. Subsystems. Working Paper #45

ERIC Educational Resources Information Center

Galey, Sarah; Youngs, Peter

2014-01-01

Scholars have developed a wide range of theories to explain both stability and change in policy subsystems. In recent years, a burgeoning literature has emerged that focuses on the application of network analysis in policy research, more formally known as Policy Network Analysis (PNA). This approach, while still developing, has great potential as…

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.

The benefits of bad economies: Business cycles and time-based work-life conflict.

PubMed

Barnes, Christopher M; Lefter, Alexandru M; Bhave, Devasheesh P; Wagner, David T

2016-04-01

Recent management research has indicated the importance of family, sleep, and recreation as nonwork activities of employees. Drawing from entrainment theory, we develop an expanded model of work-life conflict to contend that macrolevel business cycles influence the amount of time employees spend on both work and nonwork activities. Focusing solely on working adults, we test this model in a large nationally representative dataset from the Bureau of Labor Statistics that spans an 8-year period, which includes the "Great Recession" from 2007 through 2009. We find that during economic booms, employees work more and therefore spend less time with family, sleeping, and recreating. In contrast, in recessionary economies, employees spend less time working and therefore more time with family, sleeping, and recreating. Thus, we extend the theory on time-based work-to-family conflict, showing that there are potential personal and relational benefits for employees in recessionary economies. (c) 2016 APA, all rights reserved).

Towards a theory of intention: An application of quantum mechanics within psychotherapy

NASA Astrophysics Data System (ADS)

Van Wyck, Jennifer

This study incorporated grounded research methodology to analyze and code three fields of research: psychoneuroimmunology, psychokinesis, and guided imagery. The works of Tiller (2001, 2007) and Dyer (2004) were used as a validity check for the grounded theory results and provided further input into a final theory of intention. It was found that intention requires three elements to be most successful in producing targeted outcomes. These include consciousness, thought, and emotion. The emotional aspect of intention had previously been mentioned but never incorporated into earlier theories of intention and appears to be a new finding that has potentially strong implications. The paper concludes with a discussion of how the theory of intention can inform practice in the field of psychotherapy.

Modeling the Dark Matter of Galaxy Clusters Using the Tensor-Vector-Scalar Theory of Alternate Gravity

NASA Astrophysics Data System (ADS)

Ragozzine, Brett

The invocation of dark matter in the universe is predicated upon gravitational observations that cannot be explained by the amount of luminous matter that we detect. There is an ongoing debate over which gravitational model is correct. The work herein tests a prescription of gravity theory known as Tensor-Vector-Scalar and is based upon the work of Angus et al. (2007). We add upon this work by extending the sample of galaxy clusters to five and testing the accepted Navarro, Frenk & White (NFW) dark matter potential (Navarro et al., 1996). Our independent implementation of this method includes weak gravitational lensing analysis to determine the amount of dark matter in these galaxy clusters by calculating the gas fraction ƒgas = Mgas=Mtot. The ability of the Tensor-Vector-Scalar theory to predict a consistent ƒgas across all galaxy clusters is a measure of its liklihood of being the correct gravity model.

Actions for particles and strings and Chern-Simons gravity

NASA Astrophysics Data System (ADS)

Jiusi, Lei; Nair, V. P.

2017-09-01

We consider actions for particles and strings, including twistorial descriptions on 4D Minkowski and AdS5 spacetimes from the point of view of coadjoint orbits for the isometry group. We also consider the collective coordinate dynamics of singular solutions in Chern-Simons (CS) theories and CS theories of gravity. This is a generalization of the work of Einstein, Infeld, and Hoffmann and also has potential points of contact with fluid-gravity correspondence.

Learning in Activity: Exploring the Methodological Potential of Action Research in Activity Theorising of Social Practice

ERIC Educational Resources Information Center

Darwin, Stephen

2011-01-01

Cultural-historical activity theory (CHAT), founded on the seminal work of Vygotsky and evolving in the subsequent work of Leont'ev and Engestrom, continues to emerge as a robust and increasingly widely used conceptual framework for the research and analysis of the complex social mediation of human learning and development. Yet there remains…

Understanding band gaps of solids in generalized Kohn-Sham theory.

PubMed

Perdew, John P; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K U; Scheffler, Matthias; Scuseria, Gustavo E; Henderson, Thomas M; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

2017-03-14

The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn-Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations.

Understanding band gaps of solids in generalized Kohn–Sham theory

PubMed Central

Perdew, John P.; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K. U.; Scheffler, Matthias; Scuseria, Gustavo E.; Henderson, Thomas M.; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

2017-01-01

The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn–Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations. PMID:28265085

Confinement Driven by Scalar Field in 4d Non Abelian Gauge Theories

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

Chabab, Mohamed

2007-01-12

We review some of the most recent work on confinement in 4d gauge theories with a massive scalar field (dilaton). Emphasis is put on the derivation of confining analytical solutions to the Coulomb problem versus dilaton effective couplings to gauge terms. It is shown that these effective theories can be relevant to model quark confinement and may shed some light on confinement mechanism. Moreover, the study of interquark potential, derived from Dick Model, in the heavy meson sector proves that phenomenological investigation of tmechanism is more than justified and deserves more efforts.

On residual stresses and homeostasis: an elastic theory of functional adaptation in living matter.

PubMed

Ciarletta, P; Destrade, M; Gower, A L

2016-04-26

Living matter can functionally adapt to external physical factors by developing internal tensions, easily revealed by cutting experiments. Nonetheless, residual stresses intrinsically have a complex spatial distribution, and destructive techniques cannot be used to identify a natural stress-free configuration. This work proposes a novel elastic theory of pre-stressed materials. Imposing physical compatibility and symmetry arguments, we define a new class of free energies explicitly depending on the internal stresses. This theory is finally applied to the study of arterial remodelling, proving its potential for the non-destructive determination of the residual tensions within biological materials.

Spin-density functional theory treatment of He+-He collisions

NASA Astrophysics Data System (ADS)

Baxter, Matthew; Kirchner, Tom; Engel, Eberhard

2016-09-01

The He+-He collision system presents an interesting challenge to theory. On one hand, a full treatment of the three-electron dynamics constitutes a massive computational problem that has not been attempted yet; on the other hand, simplified independent-particle-model based descriptions may only provide partial information on either the transitions of the initial target electrons or on the transitions of the projectile electron, depending on the choice of atomic model potentials. We address the He+-He system within the spin-density functional theory framework on the exchange-only level. The Krieger-Li-Iafrate (KLI) approximation is used to calculate the exchange potentials for the spin-up and spin-down electrons, which ensures the correct asymptotic behavior of the effective (Kohn-Sham) potential consisting of exchange, Hartree and nuclear Coulomb potentials. The orbitals are propagated with the two-center basis generator method. In each time step, simplified versions of them are fed into the KLI equations to calculate the Kohn-Sham potential, which, in turn, is used to generate the orbitals in the next time step. First results for the transitions of all electrons and the resulting charge-changing total cross sections will be presented at the conference. Work supported by NSERC, Canada.

Applying Theory across Settings, Behaviors and Populations: Translational Challenges and Opportunities

PubMed Central

Mermelstein, Robin J.; Revenson, Tracey A.

2013-01-01

Basic social psychological theories have much to contribute to our understanding of health problems and health-related behaviors and may provide potential avenues for intervention development. However, for these theories to have broader reach and applicability to the field of health psychology, more work needs to be done in integrating contexts into these theories and addressing more specifically their application across settings, behaviors, and populations. We argue that integration of these theories into a broader multi-disciplinary and multi-level ecological framework is needed to enhance their translation into real-world applications. To enhance this translation, we make several recommendations, including breaking down silos between disciplinary perspectives and enhancing bidirectional communication and translation; analyzing boundary conditions of theories; expanding research approaches to move outside the laboratory and maintain a focus on external validity; and conducting efficacy testing of theories with meaningful, relevant endpoints. PMID:23646843

Applying theory across settings, behaviors, and populations: translational challenges and opportunities.

PubMed

Mermelstein, Robin J; Revenson, Tracey A

2013-05-01

Basic social psychological theories have much to contribute to our understanding of health problems and health-related behaviors and may provide potential avenues for intervention development. However, for these theories to have broader reach and applicability to the field of health psychology, more work needs to be done in integrating contexts into these theories and addressing more specifically their application across settings, behaviors, and populations. We argue that integration of these theories into a broader multidisciplinary and multilevel ecological framework is needed to enhance their translation into real-world applications. To enhance this translation, we make several recommendations, including breaking down silos between disciplinary perspectives and enhancing bidirectional communication and translation; analyzing boundary conditions of theories; expanding research approaches to move outside the laboratory and maintain a focus on external validity; and conducting efficacy testing of theories with meaningful, relevant endpoints. PsycINFO Database Record (c) 2013 APA, all rights reserved.

Intentions to work during terminal illness: an exploratory study of antecedent conditions.

PubMed

Westaby, James D; Versenyi, Andrea; Hausmann, Robert C

2005-11-01

Facing a terminal illness is an unimaginably difficult experience, yet many individuals intend to work despite their prognosis. However, research has not systematically examined the potential antecedents underlying such intentions. Using behavioral intention theory as an underlying framework, this study hypothesized that reasons for working (intrinsic and extrinsic), the will to live, disability severity, accessibility of travel, and age would predict intentions to work during terminal illness. A representative sample of medically diagnosed amyotrophic lateral sclerosis (a.k.a. Lou Gehrig's disease) patients with a mean life expectancy of approximately 3 years participated (mean age=57.8 years). Controlling for length of diagnosis, employment status, and demographic variables, results indicated that intrinsic reasons were particularly strong predictors of intentions, followed by age, disability severity, and accessibility of travel. Exploratory findings also indicated that behavioral intentions were positively related to future employment status, consistent with past theory. ((c) 2005 APA, all rights reserved).

Prediction of Reduction Potentials of Copper Proteins with Continuum Electrostatics and Density Functional Theory.

PubMed

Fowler, Nicholas J; Blanford, Christopher F; Warwicker, Jim; de Visser, Sam P

2017-11-02

Blue copper proteins, such as azurin, show dramatic changes in Cu 2+ /Cu + reduction potential upon mutation over the full physiological range. Hence, they have important functions in electron transfer and oxidation chemistry and have applications in industrial biotechnology. The details of what determines these reduction potential changes upon mutation are still unclear. Moreover, it has been difficult to model and predict the reduction potential of azurin mutants and currently no unique procedure or workflow pattern exists. Furthermore, high-level computational methods can be accurate but are too time consuming for practical use. In this work, a novel approach for calculating reduction potentials of azurin mutants is shown, based on a combination of continuum electrostatics, density functional theory and empirical hydrophobicity factors. Our method accurately reproduces experimental reduction potential changes of 30 mutants with respect to wildtype within experimental error and highlights the factors contributing to the reduction potential change. Finally, reduction potentials are predicted for a series of 124 new mutants that have not yet been investigated experimentally. Several mutants are identified that are located well over 10 Å from the copper center that change the reduction potential by more than 85 mV. The work shows that secondary coordination sphere mutations mostly lead to long-range electrostatic changes and hence can be modeled accurately with continuum electrostatics. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Mechanochemical Energy Conversion

ERIC Educational Resources Information Center

Pines, E.; And Others

1973-01-01

Summarizes the thermodynamics of macromolecular systems, including theories and experiments of cyclic energy conversion with rubber and collagen as working substances. Indicates that an early introduction into the concept of chemical potential and solution thermodynamics is made possible through the study of the cyclic processes. (CC)

On conservation laws for a generalized Boussinesq equation

NASA Astrophysics Data System (ADS)

Anco, S.; Rosa, M.; Gandarias, M. L.

2017-07-01

In this work, we study a Boussinesq equation with a strong damping term from the point of view of the Lie theory. By using the low order conservation laws we apply the conservation laws multiplier method to the associated potential systems.

Functional differentiability in time-dependent quantum mechanics.

PubMed

Penz, Markus; Ruggenthaler, Michael

2015-03-28

In this work, we investigate the functional differentiability of the time-dependent many-body wave function and of derived quantities with respect to time-dependent potentials. For properly chosen Banach spaces of potentials and wave functions, Fréchet differentiability is proven. From this follows an estimate for the difference of two solutions to the time-dependent Schrödinger equation that evolve under the influence of different potentials. Such results can be applied directly to the one-particle density and to bounded operators, and present a rigorous formulation of non-equilibrium linear-response theory where the usual Lehmann representation of the linear-response kernel is not valid. Further, the Fréchet differentiability of the wave function provides a new route towards proving basic properties of time-dependent density-functional theory.

Prospect Theory for Online Financial Trading

NASA Astrophysics Data System (ADS)

Liu, Yang-Yu; Nacher, Jose C.; Ochiai, Tomoshiro; Martino, Mauro; Altshuler, Yaniv

2014-03-01

Prospect theory is widely viewed as the best available descriptive model of how people evaluate risk in experimental settings. According to prospect theory, people make decisions based on the potential value of losses and gains rather than the final outcome. People are risk-averse with respect to gains and risk-seeking with respect to losses, a phenomenon called ``loss aversion''. Despite of the fact that prospect theory has been well studied in behavioral economics at the theoretical level, there exist very few empirical research and most of them has been undertaken with micro-panel data. Here we analyze the trading activities of over 1.5 million members of an online financial trading community over 28 months, aiming to explore the large-scale empirical aspect of prospect theory. By analyzing and comparing the behaviour of ``winners'' and ``losers'', i.e., traders with positive or negative final net profit, we find clear evidence of the loss aversion phenomenon, an essence in prospect theory. This work demonstrates an unprecedented large-scale empirical evidence of prospect theory. It has immediate implication in financial trading, e.g., developing new trading strategies by minimizing the effect of loss aversion. It also provides opportunity to augment online social trading, where users are allowed to watch and follow the trading activity of others, by predicting potential winners based on their historical trading behaviour.

Writing the True Self: Case Studies of Eng 101 Students Responding to a Peter Elbow-Inspired Curriculum

ERIC Educational Resources Information Center

Stansell, Jon W.

2012-01-01

My fulfillment in life comes through helping others develop their potential, work through their troubles, and follow their dreams. I have found that my college students embrace this aspect as I teach them expressive, author-involved writing. Peter Elbow's work asserts that this type of writing fits into his theory of personal development, which is…

Deriving Requirements for Pervasive Well-Being Technology From Work Stress and Intervention Theory: Framework and Case Study

PubMed Central

Koldijk, Saskia; Kraaij, Wessel

2016-01-01

Background Stress in office environments is a big concern, often leading to burn-out. New technologies are emerging, such as easily available sensors, contextual reasoning, and electronic coaching (e-coaching) apps. In the Smart Reasoning for Well-being at Home and at Work (SWELL) project, we explore the potential of using such new pervasive technologies to provide support for the self-management of well-being, with a focus on individuals' stress-coping. Ideally, these new pervasive systems should be grounded in existing work stress and intervention theory. However, there is a large diversity of theories and they hardly provide explicit directions for technology design. Objective The aim of this paper is to present a comprehensive and concise framework that can be used to design pervasive technologies that support knowledge workers to decrease stress. Methods Based on a literature study we identify concepts relevant to well-being at work and select different work stress models to find causes of work stress that can be addressed. From a technical perspective, we then describe how sensors can be used to infer stress and the context in which it appears, and use intervention theory to further specify interventions that can be provided by means of pervasive technology. Results The resulting general framework relates several relevant theories: we relate “engagement and burn-out” to “stress”, and describe how relevant aspects can be quantified by means of sensors. We also outline underlying causes of work stress and how these can be addressed with interventions, in particular utilizing new technologies integrating behavioral change theory. Based upon this framework we were able to derive requirements for our case study, the pervasive SWELL system, and we implemented two prototypes. Small-scale user studies proved the value of the derived technology-supported interventions. Conclusions The presented framework can be used to systematically develop theory-based technology-supported interventions to address work stress. In the area of pervasive systems for well-being, we identified the following six key research challenges and opportunities: (1) performing multi-disciplinary research, (2) interpreting personal sensor data, (3) relating measurable aspects to burn-out, (4) combining strengths of human and technology, (5) privacy, and (6) ethics. PMID:27380749

Theory of plasma contactors in ground-based experiments and low Earth orbit

NASA Technical Reports Server (NTRS)

Gerver, M. J.; Hastings, Daniel E.; Oberhardt, M. R.

1990-01-01

Previous theoretical work on plasma contactors as current collectors has fallen into two categories: collisionless double layer theory (describing space charge limited contactor clouds) and collisional quasineutral theory. Ground based experiments at low current are well explained by double layer theory, but this theory does not scale well to power generation by electrodynamic tethers in space, since very high anode potentials are needed to draw a substantial ambient electron current across the magnetic field in the absence of collisions (or effective collisions due to turbulence). Isotropic quasineutral models of contactor clouds, extending over a region where the effective collision frequency upsilon sub e exceeds the electron cyclotron frequency omega sub ce, have low anode potentials, but would collect very little ambient electron current, much less than the emitted ion current. A new model is presented, for an anisotropic contactor cloud oriented along the magnetic field, with upsilon sub e less than omega sub ce. The electron motion along the magnetic field is nearly collisionless, forming double layers in that direction, while across the magnetic field the electrons diffuse collisionally and the potential profile is determined by quasineutrality. Using a simplified expression for upsilon sub e due to ion acoustic turbulence, an analytic solution has been found for this model, which should be applicable to current collection in space. The anode potential is low and the collected ambient electron current can be several times the emitted ion current.

Improving health equity through theory-informed evaluations: a look at housing first strategies, cross-sectoral health programs, and prostitution policy.

PubMed

Dunn, James R; van der Meulen, Emily; O'Campo, Patricia; Muntaner, Carles

2013-02-01

The emergent realist perspective on evaluation is instructive in the quest to use theory-informed evaluations to reduce health inequities. This perspective suggests that in addition to knowing whether a program works, it is imperative to know 'what works for whom in what circumstances and in what respects, and how?' (Pawson & Tilley, 1997). This addresses the important issue of heterogeneity of effect, in other words, that programs have different effects for different people, potentially even exacerbating inequities and worsening the situation of marginalized groups. But in addition, the realist perspective implies that a program may not only have a greater or lesser effect, but even for the same effect, it may work by way of a different mechanism, about which we must theorize, for different groups. For this reason, theory, and theory-based evaluations are critical to health equity. We present here three examples of evaluations with a focus on program theories and their links to inequalities. All three examples illustrate the importance of theory-based evaluations in reducing health inequities. We offer these examples from a wide variety of settings to illustrate that the problem of which we write is not an exception to usual practice. The 'Housing First' model of supportive housing for people with severe mental illness is based on a theory of the role of housing in living with mental illness that has a number of elements that directly contradict the theory underlying the dominant model. Multisectoral action theories form the basis for the second example on Venezuela's revolutionary national Barrio Adentro health improvement program. Finally, decriminalization of prostitution and related health and safety policies in New Zealand illustrate how evaluations can play an important role in both refining the theory and contributing to improved policy interventions to address inequalities. The theoretically driven and transformative nature of these interventions create special demands for the use of theory in evaluations. Copyright © 2012 Elsevier Ltd. All rights reserved.

Control theory based airfoil design using the Euler equations

NASA Technical Reports Server (NTRS)

Jameson, Antony; Reuther, James

1994-01-01

This paper describes the implementation of optimization techniques based on control theory for airfoil design. In our previous work it was shown that control theory could be employed to devise effective optimization procedures for two-dimensional profiles by using the potential flow equation with either a conformal mapping or a general coordinate system. The goal of our present work is to extend the development to treat the Euler equations in two-dimensions by procedures that can readily be generalized to treat complex shapes in three-dimensions. Therefore, we have developed methods which can address airfoil design through either an analytic mapping or an arbitrary grid perturbation method applied to a finite volume discretization of the Euler equations. Here the control law serves to provide computationally inexpensive gradient information to a standard numerical optimization method. Results are presented for both the inverse problem and drag minimization problem.

Addressing dysfunctional relations among healthcare teams: improving team cooperation through applied organizational theories.

PubMed

Horwitz, Sujin K; Horwitz, Irwin B; Barshes, Neal R

2011-01-01

Previous research has demonstrated that communication failure and interpersonal conflicts are significant impediments among health-care teams to assess complex information and engage in the meaningful collaboration necessary for optimizing patient care. Despite the prolific research on the role of effective teamwork in accomplishing complex tasks, such findings have been traditionally applied to business organizations and not medical contexts. This chapter, therefore, reviews and applies four theories from the fields of organizational behavior (OB) and organization development (OD) as potential means for improving team interaction in health-care contexts. This study is unique in its approach as it addresses the long-standing problems that exist in team communication and cooperation in health-care teams by applying well-established theories from the organizational literature. The utilization and application of the theoretical constructs discussed in this work offer valuable means by which the efficacy of team work can be greatly improved in health-care organizations.

Authentic leadership: a new theory for nursing or back to basics?

PubMed

Wong, Carol; Cummings, Greta

2009-01-01

Authentic leadership is an emerging theoretical model purported to focus on the root component of effective leadership. The purpose of this paper is to describe the relevance of authentic leadership to the advancement of nursing leadership practice and research and address the question of whether this is a new theory for leadership or an old one in new packaging. The paper outlines the origins and key elements of the model, assesses the theoretical, conceptual and measurement issues associated with authentic leadership and compares it with other leadership theories frequently reported in the nursing literature. The emerging authentic leadership theory holds promise for explaining the underlying processes by which authentic leaders and followers influence work outcomes and organizational performance. Construct validity of authentic leadership has preliminary documentation and a few studies have shown positive relationships between authenticity and trust. Furthermore, the clarity of the authenticity construct and comprehensiveness of the overall theoretical framework provide a fruitful base for future research examining the relationship between authentic leadership and the creation of healthier work environments. A clear focus on the relational aspects of leadership, the foundational moral/ethical component, a potential linkage of positive psychological capital to work engagement and the emphasis on leader and follower development in the authentic leadership framework are closely aligned to current and future nursing leadership practice and research priorities for the creation of sustainable changes in nursing work environments.

Toward a Dialogic Theory of Fundraising

ERIC Educational Resources Information Center

McAllister, Sheila Marie

2013-01-01

Kelly (1991, 1998) theoretically grounded fundraising within the paradigm of public relations. The Internet can potentially help nonprofit organizations boost their volunteer, donor, and fundraising opportunities through effective website management (Kang & Norton, 2004). The work of Kent and Taylor (1998, 2002) and others provides fertile…

Developmental dyscalculia is related to visuo-spatial memory and inhibition impairment☆

PubMed Central

Szucs, Denes; Devine, Amy; Soltesz, Fruzsina; Nobes, Alison; Gabriel, Florence

2013-01-01

Developmental dyscalculia is thought to be a specific impairment of mathematics ability. Currently dominant cognitive neuroscience theories of developmental dyscalculia suggest that it originates from the impairment of the magnitude representation of the human brain, residing in the intraparietal sulcus, or from impaired connections between number symbols and the magnitude representation. However, behavioral research offers several alternative theories for developmental dyscalculia and neuro-imaging also suggests that impairments in developmental dyscalculia may be linked to disruptions of other functions of the intraparietal sulcus than the magnitude representation. Strikingly, the magnitude representation theory has never been explicitly contrasted with a range of alternatives in a systematic fashion. Here we have filled this gap by directly contrasting five alternative theories (magnitude representation, working memory, inhibition, attention and spatial processing) of developmental dyscalculia in 9–10-year-old primary school children. Participants were selected from a pool of 1004 children and took part in 16 tests and nine experiments. The dominant features of developmental dyscalculia are visuo-spatial working memory, visuo-spatial short-term memory and inhibitory function (interference suppression) impairment. We hypothesize that inhibition impairment is related to the disruption of central executive memory function. Potential problems of visuo-spatial processing and attentional function in developmental dyscalculia probably depend on short-term memory/working memory and inhibition impairments. The magnitude representation theory of developmental dyscalculia was not supported. PMID:23890692

Control theory based airfoil design for potential flow and a finite volume discretization

NASA Technical Reports Server (NTRS)

Reuther, J.; Jameson, A.

1994-01-01

This paper describes the implementation of optimization techniques based on control theory for airfoil design. In previous studies it was shown that control theory could be used to devise an effective optimization procedure for two-dimensional profiles in which the shape is determined by a conformal transformation from a unit circle, and the control is the mapping function. The goal of our present work is to develop a method which does not depend on conformal mapping, so that it can be extended to treat three-dimensional problems. Therefore, we have developed a method which can address arbitrary geometric shapes through the use of a finite volume method to discretize the potential flow equation. Here the control law serves to provide computationally inexpensive gradient information to a standard numerical optimization method. Results are presented, where both target speed distributions and minimum drag are used as objective functions.

Endogenous Molecular-Cellular Network Cancer Theory: A Systems Biology Approach.

PubMed

Wang, Gaowei; Yuan, Ruoshi; Zhu, Xiaomei; Ao, Ping

2018-01-01

In light of ever apparent limitation of the current dominant cancer mutation theory, a quantitative hypothesis for cancer genesis and progression, endogenous molecular-cellular network hypothesis has been proposed from the systems biology perspective, now for more than 10 years. It was intended to include both the genetic and epigenetic causes to understand cancer. Its development enters the stage of meaningful interaction with experimental and clinical data and the limitation of the traditional cancer mutation theory becomes more evident. Under this endogenous network hypothesis, we established a core working network of hepatocellular carcinoma (HCC) according to the hypothesis and quantified the working network by a nonlinear dynamical system. We showed that the two stable states of the working network reproduce the main known features of normal liver and HCC at both the modular and molecular levels. Using endogenous network hypothesis and validated working network, we explored genetic mutation pattern in cancer and potential strategies to cure or relieve HCC from a totally new perspective. Patterns of genetic mutations have been traditionally analyzed by posteriori statistical association approaches in light of traditional cancer mutation theory. One may wonder the possibility of a priori determination of any mutation regularity. Here, we found that based on the endogenous network theory the features of genetic mutations in cancers may be predicted without any prior knowledge of mutation propensities. Normal hepatocyte and cancerous hepatocyte stable states, specified by distinct patterns of expressions or activities of proteins in the network, provide means to directly identify a set of most probable genetic mutations and their effects in HCC. As the key proteins and main interactions in the network are conserved through cell types in an organism, similar mutational features may also be found in other cancers. This analysis yielded straightforward and testable predictions on an accumulated and preferred mutation spectrum in normal tissue. The validation of predicted cancer state mutation patterns demonstrates the usefulness and potential of a causal dynamical framework to understand and predict genetic mutations in cancer. We also obtained the following implication related to HCC therapy, (1) specific positive feedback loops are responsible for the maintenance of normal liver and HCC; (2) inhibiting proliferation and inflammation-related positive feedback loops, and simultaneously inducing liver-specific positive feedback loop is predicated as the potential strategy to cure or relieve HCC; (3) the genesis and regression of HCC is asymmetric. In light of the characteristic property of the nonlinear dynamical system, we demonstrate that positive feedback loops must be existed as a simple and general molecular basis for the maintenance of phenotypes such as normal liver and HCC, and regulating the positive feedback loops directly or indirectly provides potential strategies to cure or relieve HCC.

Predictors of nurse manager stress: a dominance analysis of potential work environment stressors.

PubMed

Kath, Lisa M; Stichler, Jaynelle F; Ehrhart, Mark G; Sievers, Andree

2013-11-01

Nurse managers have important but stressful jobs. Clinical or bedside nurse predictors of stress have been studied more frequently, but less has been done on work environment predictors for those in this first-line leadership role. Understanding the relative importance of those work environment predictors could be used to help identify the most fruitful areas for intervention, potentially improving recruitment and retention for nurse managers. Using Role Stress Theory and the Job Demands-Resources Theory, a model was tested examining the relative importance of five potential predictors of nurse manager stress (i.e., stressors). The work environment stressors included role ambiguity, role overload, role conflict, organizational constraints, and interpersonal conflict. A quantitative, cross-sectional survey study was conducted with a convenience sample of 36 hospitals in the Southwestern United States. All nurse managers working in these 36 hospitals were invited to participate. Of the 636 nurse managers invited, 480 responded, for a response rate of 75.5%. Questionnaires were distributed during nursing leadership meetings and were returned in person (in sealed envelopes) or by mail. Because work environment stressors were correlated, dominance analysis was conducted to examine which stressors were the most important predictors of nurse manager stress. Role overload was the most important predictor of stress, with an average of 13% increase in variance explained. The second- and third-most important predictors were organizational constraints and role conflict, with an average of 7% and 6% increase in variance explained, respectively. Because other research has shown deleterious effects of nurse manager stress, organizational leaders are encouraged to help nurse managers reduce their actual and/or perceived role overload and organizational constraints. Copyright © 2013 Elsevier Ltd. All rights reserved.

How to build up the actionable knowledge base: the role of ‘best fit’ framework synthesis for studies of improvement in healthcare

PubMed Central

Booth, Andrew; Carroll, Christopher

2015-01-01

Increasing recognition of the role and value of theory in improvement work in healthcare offers the prospect of capitalising upon, and consolidating, actionable lessons from synthesis of improvement projects and initiatives. We propose that informed use of theory can (i) provide a mechanism by which to collect and organise data from a body of improvement work, (ii) offer a framework for analysis and identification of lessons learnt and (iii) facilitate an evaluation of the feasibility, effectiveness and acceptability of improvement programmes. Improvement practitioners can benefit from using an underpinning external structure as a lens by which to examine the specific achievements of their own projects alongside comparable initiatives led by others. We demonstrate the utility of a method known as ‘best fit framework synthesis’ (BFFS) in offering a ubiquitous and versatile means by which to collect, analyse and evaluate improvement work in healthcare. First reported in 2011, BFFS represents a pragmatic, flexible approach to integrating theory with findings from practice. A deductive phase, where a review team seeks to accommodate a substantial part of the data, is followed by an inductive phase, in which the team explores data not accommodated by the framework. We explore the potential for BFFS within improvement work by drawing upon the evidence synthesis methodology literature and practical examples of improvement work reported in BMJ Quality and Safety (2011–2015). We suggest four variants of BFFS that may have particular value in synthesising a body of improvement work. We conclude that BFFS, alongside other approaches that seek to optimise the contribution of theory to improvement work, represents one important enabling mechanism by which to establish the rigour and scientific credentials of the emerging discipline of ‘improvement science’. PMID:26306609

Nucleation theory - Is replacement free energy needed?. [error analysis of capillary approximation

NASA Technical Reports Server (NTRS)

Doremus, R. H.

1982-01-01

It has been suggested that the classical theory of nucleation of liquid from its vapor as developed by Volmer and Weber (1926) needs modification with a factor referred to as the replacement free energy and that the capillary approximation underlying the classical theory is in error. Here, the classical nucleation equation is derived from fluctuation theory, Gibb's result for the reversible work to form a critical nucleus, and the rate of collision of gas molecules with a surface. The capillary approximation is not used in the derivation. The chemical potential of small drops is then considered, and it is shown that the capillary approximation can be derived from thermodynamic equations. The results show that no corrections to Volmer's equation are needed.

The role of theory in research to develop and evaluate the implementation of patient safety practices.

PubMed

Foy, Robbie; Ovretveit, John; Shekelle, Paul G; Pronovost, Peter J; Taylor, Stephanie L; Dy, Sydney; Hempel, Susanne; McDonald, Kathryn M; Rubenstein, Lisa V; Wachter, Robert M

2011-05-01

Theories provide a way of understanding and predicting the effects of patient safety practices (PSPs), interventions intended to prevent or mitigate harm caused by healthcare or risks of such harm. Yet most published evaluations make little or no explicit reference to theory, thereby hindering efforts to generalise findings from one context to another. Theories from a wide range of disciplines are potentially relevant to research on PSPs. Theory can be used in research to explain clinical and organisational behaviour, to guide the development and selection of PSPs, and in evaluating their implementation and mechanisms of action. One key recommendation from an expert consensus process is that researchers should describe the theoretical basis for chosen intervention components or provide an explicit logic model for 'why this PSP should work.' Future theory-driven evaluations would enhance generalisability and help build a cumulative understanding of the nature of change.

Self-consistent many-electron theory of electron work functions and surface potential characteristics for selected metals

NASA Technical Reports Server (NTRS)

Smith, J. R.

1969-01-01

Electron work functions, surface potentials, and electron number density distributions and electric fields in the surface region of 26 metals were calculated from first principles within the free electron model. Calculation proceeded from an expression of the total energy as a functional of the electron number density, including exchange and correlation energies, as well as a first inhomogeneity term. The self-consistent solution was obtained via a variational procedure. Surface barriers were due principally to many-body effects; dipole barriers were small only for some alkali metals, becoming quite large for the transition metals. Surface energies were inadequately described by this model, which neglects atomistic effects. Reasonable results were obtained for electron work functions and surface potential characteristics, maximum electron densities varying by a factor of over 60.

Category's analysis and operational project capacity method of transformation in design

NASA Astrophysics Data System (ADS)

Obednina, S. V.; Bystrova, T. Y.

2015-10-01

The method of transformation is attracting widespread interest in fields such contemporary design. However, in theory of design little attention has been paid to a categorical status of the term "transformation". This paper presents the conceptual analysis of transformation based on the theory of form employed in the influential essays by Aristotle and Thomas Aquinas. In the present work the transformation as a method of shaping design has been explored as well as potential application of this term in design has been demonstrated.

On uncertainty in information and ignorance in knowledge

NASA Astrophysics Data System (ADS)

Ayyub, Bilal M.

2010-05-01

This paper provides an overview of working definitions of knowledge, ignorance, information and uncertainty and summarises formalised philosophical and mathematical framework for their analyses. It provides a comparative examination of the generalised information theory and the generalised theory of uncertainty. It summarises foundational bases for assessing the reliability of knowledge constructed as a collective set of justified true beliefs. It discusses system complexity for ancestor simulation potentials. It offers value-driven communication means of knowledge and contrarian knowledge using memes and memetics.

Finite-temperature Gutzwiller approximation from the time-dependent variational principle

NASA Astrophysics Data System (ADS)

Lanatà, Nicola; Deng, Xiaoyu; Kotliar, Gabriel

2015-08-01

We develop an extension of the Gutzwiller approximation to finite temperatures based on the Dirac-Frenkel variational principle. Our method does not rely on any entropy inequality, and is substantially more accurate than the approaches proposed in previous works. We apply our theory to the single-band Hubbard model at different fillings, and show that our results compare quantitatively well with dynamical mean field theory in the metallic phase. We discuss potential applications of our technique within the framework of first-principle calculations.

Effect of sulfur doping on thermoelectric properties of Sodium Tantalate - A first principles study

NASA Astrophysics Data System (ADS)

Chowdary, Bharadwaj; Jayaraman, Kaushik; Molli, Muralikrishna

2018-05-01

In this work, we report the thermoelectric (TE) transport properties of perovskite-like Sodium Tantalate and studied the effect of Sulfur doping on TE properties of Sodium Tantalate. The band structures are calculated in the purview of density functional theory using the mBJ exchange correlation potential. The transport properties are evaluated using the Boltzmann transport theory in the constant relaxation time approximation. Our results suggest that Sulfur doped Sodium Tantalate is better n-type thermoelectric compared to Sodium Tantalate.

Some new results on charged compact boson stars

DOE PAGES

Kumar, Sanjeev; Kulshreshtha, Usha; Kulshreshtha, Daya Shankar; ...

2017-07-21

In this work we present some new results obtained in a study of the phase diagram of charged compact boson stars in a theory involving a complex scalar field with a conical potential coupled to a U(1) gauge field and gravity. We here obtain new bifurcation points in this model. We present a detailed discussion of the various regions of the phase diagram with respect to the bifurcation points. The theory is seen to contain rich physics in a particular domain of the phase diagram.

Situativity theory: a perspective on how participants and the environment can interact: AMEE Guide no. 52.

PubMed

Durning, Steven J; Artino, Anthony R

2011-01-01

Situativity theory refers to theoretical frameworks which argue that knowledge, thinking, and learning are situated (or located) in experience. The importance of context to these theories is paramount, including the unique contribution of the environment to knowledge, thinking, and learning; indeed, they argue that knowledge, thinking, and learning cannot be separated from (they are dependent upon) context. Situativity theory includes situated cognition, situated learning, ecological psychology, and distributed cognition. In this Guide, we first outline key tenets of situativity theory and then compare situativity theory to information processing theory; we suspect that the reader may be quite familiar with the latter, which has prevailed in medical education research. Contrasting situativity theory with information processing theory also serves to highlight some unique potential contributions of situativity theory to work in medical education. Further, we discuss each of these situativity theories and then relate the theories to the clinical context. Examples and illustrations for each of the theories are used throughout. We will conclude with some potential considerations for future exploration. Some implications of situativity theory include: a new way of approaching knowledge and how experience and the environment impact knowledge, thinking, and learning; recognizing that the situativity framework can be a useful tool to "diagnose" the teaching or clinical event; the notion that increasing individual responsibility and participation in a community (i.e., increasing "belonging") is essential to learning; understanding that the teaching and clinical environment can be complex (i.e., non-linear and multi-level); recognizing that explicit attention to how participants in a group interact with each other (not only with the teacher) and how the associated learning artifacts, such as computers, can meaningfully impact learning.

WKB approximation and tunneling in theories with noncanonical kinetic terms

NASA Astrophysics Data System (ADS)

González, Mariana Carrillo; Masoumi, Ali; Solomon, Adam R.; Trodden, Mark

2017-09-01

Tunneling is a fascinating aspect of quantum mechanics that renders the local minima of a potential meta-stable, with important consequences for particle physics, for the early hot stage of the universe, and more speculatively, for the behavior of the putative multiverse. While this phenomenon has been studied extensively for systems which have canonical kinetic terms, many theories of fundamental physics contain fields with noncanonical kinetic structures. It is therefore desirable to have a detailed framework for calculating tunneling rates and initial states after tunneling for these theories. In this work we present such a rigorous formulation and illustrate its use by applying it to a number of examples.

Toward an instructionally oriented theory of example-based learning.

PubMed

Renkl, Alexander

2014-01-01

Learning from examples is a very effective means of initial cognitive skill acquisition. There is an enormous body of research on the specifics of this learning method. This article presents an instructionally oriented theory of example-based learning that integrates theoretical assumptions and findings from three research areas: learning from worked examples, observational learning, and analogical reasoning. This theory has descriptive and prescriptive elements. The descriptive subtheory deals with (a) the relevance and effectiveness of examples, (b) phases of skill acquisition, and (c) learning processes. The prescriptive subtheory proposes instructional principles that make full exploitation of the potential of example-based learning possible. Copyright © 2013 Cognitive Science Society, Inc.

Disentangling the adult attention-deficit hyperactivity disorder endophenotype: parametric measurement of attention.

PubMed

Finke, Kathrin; Schwarzkopf, Wolfgang; Müller, Ulrich; Frodl, Thomas; Müller, Hermann J; Schneider, Werner X; Engel, Rolf R; Riedel, Michael; Möller, Hans-Jürgen; Hennig-Fast, Kristina

2011-11-01

Attention deficit hyperactivity disorder (ADHD) persists frequently into adulthood. The decomposition of endophenotypes by means of experimental neuro-cognitive assessment has the potential to improve diagnostic assessment, evaluation of treatment response, and disentanglement of genetic and environmental influences. We assessed four parameters of attentional capacity and selectivity derived from simple psychophysical tasks (verbal report of briefly presented letter displays) and based on a "theory of visual attention." These parameters are mathematically independent, quantitative measures, and previous studies have shown that they are highly sensitive for subtle attention deficits. Potential reductions of attentional capacity, that is, of perceptual processing speed and working memory storage capacity, were assessed with a whole report paradigm. Furthermore, possible pathologies of attentional selectivity, that is, selection of task-relevant information and bias in the spatial distribution of attention, were measured with a partial report paradigm. A group of 30 unmedicated adult ADHD patients and a group of 30 demographically matched healthy controls were tested. ADHD patients showed significant reductions of working memory storage capacity of a moderate to large effect size. Perceptual processing speed, task-based, and spatial selection were unaffected. The results imply a working memory deficit as an important source of behavioral impairments. The theory of visual attention parameter working memory storage capacity might constitute a quantifiable and testable endophenotype of ADHD.

Black hole evaporation: information loss but no paradox

NASA Astrophysics Data System (ADS)

Modak, Sujoy K.; Ortíz, Leonardo; Peña, Igor; Sudarsky, Daniel

2015-10-01

The process of black hole evaporation resulting from the Hawking effect has generated an intense controversy regarding its potential conflict with quantum mechanics' unitary evolution. A recent set of works by a collaboration involving one of us, have revised the controversy with the aims of, on one hand, clarifying some conceptual issues surrounding it, and, at the same time, arguing that collapse theories have the potential to offer a satisfactory resolution of the so-called paradox. Here we show an explicit calculation supporting this claim using a simplified model of black hole creation and evaporation, known as the CGHS model, together with a dynamical reduction theory, known as CSL, and some speculative, but seemingly natural ideas about the role of quantum gravity in connection with the would-be singularity. This work represents a specific realization of general ideas first discussed in Okon and Sudarsky (Found Phys 44:114-143, 2014 and a complete and detailed analysis of a model first considered in Modak et al. (Phys Rev D 91(12):124009, 2015.

Partnership work between Public Health and Health Psychology: introduction to a novel training programme

PubMed Central

2010-01-01

Background Public health services implement individual, community and population level interventions to change health behaviours, improve healthy life expectancy and reduce health inequalities. Understanding and changing health behaviour is complex. Integrating behaviour change theory and evidence into interventions has the potential to improve services. Methods Health Psychologists apply evidence and theories aimed at understanding and changing health behaviour. A Scottish programme is piloting the training of Health Psychologists within NHS contexts to address prominent public health challenges. Results This article outlines the details of this novel programme. Two projects are examined to illustrate the potential of partnership working between public health and health psychology. Conclusion In order to develop and improve behaviour change interventions and services, public health planners may want to consider developing and using the knowledge and skills of Health Psychologists. Supporting such training within public health contexts is a promising avenue to build critical NHS internal mass to tackle the major public health challenges ahead. PMID:21070643

Dispersion correction derived from first principles for density functional theory and Hartree-Fock theory.

PubMed

Guidez, Emilie B; Gordon, Mark S

2015-03-12

The modeling of dispersion interactions in density functional theory (DFT) is commonly performed using an energy correction that involves empirically fitted parameters for all atom pairs of the system investigated. In this study, the first-principles-derived dispersion energy from the effective fragment potential (EFP) method is implemented for the density functional theory (DFT-D(EFP)) and Hartree-Fock (HF-D(EFP)) energies. Overall, DFT-D(EFP) performs similarly to the semiempirical DFT-D corrections for the test cases investigated in this work. HF-D(EFP) tends to underestimate binding energies and overestimate intermolecular equilibrium distances, relative to coupled cluster theory, most likely due to incomplete accounting for electron correlation. Overall, this first-principles dispersion correction yields results that are in good agreement with coupled-cluster calculations at a low computational cost.

An EQT-cDFT approach to determine thermodynamic properties of confined fluids.

PubMed

Mashayak, S Y; Motevaselian, M H; Aluru, N R

2015-06-28

We present a continuum-based approach to predict the structure and thermodynamic properties of confined fluids at multiple length-scales, ranging from a few angstroms to macro-meters. The continuum approach is based on the empirical potential-based quasi-continuum theory (EQT) and classical density functional theory (cDFT). EQT is a simple and fast approach to predict inhomogeneous density and potential profiles of confined fluids. We use EQT potentials to construct a grand potential functional for cDFT. The EQT-cDFT-based grand potential can be used to predict various thermodynamic properties of confined fluids. In this work, we demonstrate the EQT-cDFT approach by simulating Lennard-Jones fluids, namely, methane and argon, confined inside slit-like channels of graphene. We show that the EQT-cDFT can accurately predict the structure and thermodynamic properties, such as density profiles, adsorption, local pressure tensor, surface tension, and solvation force, of confined fluids as compared to the molecular dynamics simulation results.

A quantum perturbative pair distribution for determining interatomic potentials from extended x-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Piazza, F.

2002-11-01

In this paper we develop a technique for determining interatomic potentials in materials in the quantum regime from single-shell extended x-ray absorption spectroscopy (EXAFS) spectra. We introduce a pair distribution function, based on ordinary quantum time-independent perturbation theory. In the proposed scheme, the model potential parameters enter the distribution through a fourth-order Taylor expansion of the potential, and are directly refined in the fit of the model signal to the experimental spectrum. We discuss in general the validity of our theoretical framework, namely the quantum regime and perturbative treatment, and work out a simple tool for monitoring the sensitivity of our theory in determining lattice anharmonicities based on the statistical F-test. As an example, we apply our formalism to an EXAFS spectrum at the Ag K edge of AgI at T = 77 K. We determine the Ag-I potential parameters and find good agreement with previous studies.

A multiscale quasi-continuum theory to determine thermodynamic properties of fluid mixtures in nanochannels

NASA Astrophysics Data System (ADS)

Motevaselian, Mohammad Hossein; Mashayak, Sikandar Y.; Aluru, Narayana R.

2015-11-01

We present an empirical potential-based quasi-continuum theory (EQT) that seamlessly integrates the interatomic potentials into a continuum framework such as the Nernst-Planck equation. EQT is a simple and fast approach, which provides accurate predictions of potential of mean force (PMF) and density distribution of confined fluids at multiple length-scales, ranging from few Angstroms to macro meters. The EQT potentials can be used to construct the excess free energy functional in the classical density functional theory (cDFT). The combination of EQT and cDFT (EQT-cDFT), allows one to predict the thermodynamic properties of confined fluids. Recently, the EQT-cDFT framework was developed for single component LJ fluids confined in slit-like graphene channels. In this work, we extend the framework to confined LJ fluid mixtures and demonstrate it by simulating a mixture of methane and hydrogen molecules inside slit-like graphene channels. We show that the EQT-cDFT predictions for the structure of the confined fluid mixture compare well with the MD simulations. In addition, our results show that graphene nanochannels exhibit a selective adsorption of methane over hydrogen.

Phase space explorations in time dependent density functional theory

NASA Astrophysics Data System (ADS)

Rajam, Aruna K.

Time dependent density functional theory (TDDFT) is one of the useful tools for the study of the dynamic behavior of correlated electronic systems under the influence of external potentials. The success of this formally exact theory practically relies on approximations for the exchange-correlation potential which is a complicated functional of the co-ordinate density, non-local in space and time. Adiabatic approximations (such as ALDA), which are local in time, are most commonly used in the increasing applications of the field. Going beyond ALDA, has been proved difficult leading to mathematical inconsistencies. We explore the regions where the theory faces challenges, and try to answer some of them via the insights from two electron model systems. In this thesis work we propose a phase-space extension of the TDDFT. We want to answer the challenges the theory is facing currently by exploring the one-body phase-space. We give a general introduction to this theory and its mathematical background in the first chapter. In second chapter, we carryout a detailed study of instantaneous phase-space densities and argue that the functionals of distributions can be a better alternative to the nonlocality issue of the exchange-correlation potentials. For this we study in detail the interacting and the non-interacting phase-space distributions for Hookes atom model. The applicability of ALDA-based TDDFT for the dynamics in strongfields can become severely problematic due to the failure of single-Slater determinant picture.. In the third chapter, we analyze how the phase-space distributions can shine some light into this problem. We do a comparative study of Kohn-Sham and interacting phase-space and momentum distributions for single ionization and double ionization systems. Using a simple model of two-electron systems, we have showed that the momentum distribution computed directly from the exact KS system contains spurious oscillations: a non-classical description of the essentially classical two-electron dynamics. In Time dependent density matrix functional theory (TDDMFT), the evolution scheme of the 1RDM (first order reduced density matrix) contains second-order reduced density matrix (2RDM), which has to be expressed in terms of 1RDMs. Any non-correlated approximations (Hartree-Fock) for 2RDM would fail to capture the natural occupations of the system. In our fourth chapter, we show that by applying the quasi-classical and semi-classical approximations one can capture the natural occupations of the excited systems. We study a time-dependent Moshinsky atom model for this. The fifth chapter contains a comparative work on the existing non-local exchange-correlation kernels that are based on current density response frame work and the co-moving frame work. We show that the two approaches though coinciding with each other in linear response regime, actually turn out to be different in non-linear regime.

Current-Voltage and Floating-Potential characteristics of cylindrical emissive probes from a full-kinetic model based on the orbital motion theory

NASA Astrophysics Data System (ADS)

Chen, Xin; Sánchez-Arriaga, Gonzalo

2018-02-01

To model the sheath structure around an emissive probe with cylindrical geometry, the Orbital-Motion theory takes advantage of three conserved quantities (distribution function, transverse energy, and angular momentum) to transform the stationary Vlasov-Poisson system into a single integro-differential equation. For a stationary collisionless unmagnetized plasma, this equation describes self-consistently the probe characteristics. By solving such an equation numerically, parametric analyses for the current-voltage (IV) and floating-potential (FP) characteristics can be performed, which show that: (a) for strong emission, the space-charge effects increase with probe radius; (b) the probe can float at a positive potential relative to the plasma; (c) a smaller probe radius is preferred for the FP method to determine the plasma potential; (d) the work function of the emitting material and the plasma-ion properties do not influence the reliability of the floating-potential method. Analytical analysis demonstrates that the inflection point of an IV curve for non-emitting probes occurs at the plasma potential. The flat potential is not a self-consistent solution for emissive probes.

Hartree-Fock theory of the inhomogeneous electron gas at a jellium metal surface: Rigorous upper bounds to the surface energy and accurate work functions

NASA Astrophysics Data System (ADS)

Sahni, V.; Ma, C. Q.

1980-12-01

The inhomogeneous electron gas at a jellium metal surface is studied in the Hartree-Fock approximation by Kohn-Sham density functional theory. Rigorous upper bounds to the surface energy are derived by application of the Rayleigh-Ritz variational principle for the energy, the surface kinetic, electrostatic, and nonlocal exchange energy functionals being determined exactly for the accurate linear-potential model electronic wave functions. The densities obtained by the energy minimization constraint are then employed to determine work-function results via the variationally accurate "displaced-profile change-in-self-consistent-field" expression. The theoretical basis of this non-self-consistent procedure and its demonstrated accuracy for the fully correlated system (as treated within the local-density approximation for exchange and correlation) leads us to conclude these results for the surface energies and work functions to be essentially exact. Work-function values are also determined by the Koopmans'-theorem expression, both for these densities as well as for those obtained by satisfaction of the constraint set on the electrostatic potential by the Budd-Vannimenus theorem. The use of the Hartree-Fock results in the accurate estimation of correlation-effect contributions to these surface properties of the nonuniform electron gas is also indicated. In addition, the original work and approximations made by Bardeen in this attempt at a solution of the Hartree-Fock problem are briefly reviewed in order to contrast with the present work.

A Model of Historical Thinking

ERIC Educational Resources Information Center

Seixas, Peter

2017-01-01

"Historical thinking" has a central role in the theory and practice of history education. At a minimum, history educators must work with a model of historical thinking if they are to formulate potential progression in students' advance through a school history curriculum, test that progression empirically, and shape instructional…

Neural Bases of Automaticity

ERIC Educational Resources Information Center

Servant, Mathieu; Cassey, Peter; Woodman, Geoffrey F.; Logan, Gordon D.

2018-01-01

Automaticity allows us to perform tasks in a fast, efficient, and effortless manner after sufficient practice. Theories of automaticity propose that across practice processing transitions from being controlled by working memory to being controlled by long-term memory retrieval. Recent event-related potential (ERP) studies have sought to test this…

Meeting in New Orleans: An Assessment of the Fate of Metal Oxide Nanomaterials in Porous Media

EPA Science Inventory

This work assesses potential aqueous environmental metal oxide nanomaterial self-aggregation through the application of recent developments in surface complexation theory with historical DLVO procedures. Findings include: 1) nanomaterials with a Hamaker constant as large as 1E-1...

Evolution Acceptance and Epistemological Beliefs of College Biology Students

ERIC Educational Resources Information Center

Borgerding, Lisa A.; Deniz, Hasan; Anderson, Elizabeth Shevock

2017-01-01

Evolutionary theory is central to biology, and scientifically accurate evolution instruction is promoted within national and state standards documents. Previous literature has identified students' epistemological beliefs as potential predictors of evolution acceptance. The present work seeks to explore more directly how student views of evolution…

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

Dang, Liem X.; Vo, Quynh N.; Nilsson, Mikael

We report one of the first simulations using a classical rate theory approach to predict the mechanism of the exchange process between water and aqueous uranyl ions. Using our water and ion-water polarizable force fields and molecular dynamics techniques, we computed the potentials of mean force for the uranyl ion-water pair as the function of pressures at ambient temperature. Subsequently, these simulated potentials of mean force were used to calculate rate constants using the transition rate theory; the time dependent transmission coefficients were also examined using the reactive flux method and Grote-Hynes treatments of the dynamic response of the solvent.more » The computed activation volumes using transition rate theory and the corrected rate constants are positive, thus the mechanism of this particular water-exchange is a dissociative process. We discuss our rate theory results and compare them with previously studies in which non-polarizable force fields were used. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.« less

A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert's Variational Perturbation Theory.

PubMed

Wong, Kin-Yiu; Gao, Jiali

2008-09-09

In this paper, we describe an automated integration-free path-integral (AIF-PI) method, based on Kleinert's variational perturbation (KP) theory, to treat internuclear quantum-statistical effects in molecular systems. We have developed an analytical method to obtain the centroid potential as a function of the variational parameter in the KP theory, which avoids numerical difficulties in path-integral Monte Carlo or molecular dynamics simulations, especially at the limit of zero-temperature. Consequently, the variational calculations using the KP theory can be efficiently carried out beyond the first order, i.e., the Giachetti-Tognetti-Feynman-Kleinert variational approach, for realistic chemical applications. By making use of the approximation of independent instantaneous normal modes (INM), the AIF-PI method can readily be applied to many-body systems. Previously, we have shown that in the INM approximation, the AIF-PI method is accurate for computing the quantum partition function of a water molecule (3 degrees of freedom) and the quantum correction factor for the collinear H(3) reaction rate (2 degrees of freedom). In this work, the accuracy and properties of the KP theory are further investigated by using the first three order perturbations on an asymmetric double-well potential, the bond vibrations of H(2), HF, and HCl represented by the Morse potential, and a proton-transfer barrier modeled by the Eckart potential. The zero-point energy, quantum partition function, and tunneling factor for these systems have been determined and are found to be in excellent agreement with the exact quantum results. Using our new analytical results at the zero-temperature limit, we show that the minimum value of the computed centroid potential in the KP theory is in excellent agreement with the ground state energy (zero-point energy) and the position of the centroid potential minimum is the expectation value of particle position in wave mechanics. The fast convergent property of the KP theory is further examined in comparison with results from the traditional Rayleigh-Ritz variational approach and Rayleigh-Schrödinger perturbation theory in wave mechanics. The present method can be used for thermodynamic and quantum dynamic calculations, including to systematically determine the exact value of zero-point energy and to study kinetic isotope effects for chemical reactions in solution and in enzymes.

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

Unified picture of Q-balls and boson stars via catastrophe theory

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

Tamaki, Takashi; Sakai, Nobuyuki; Department of Education, Yamagata University, Yamagata 990-8560

2010-06-15

We make an analysis of Q-balls and boson stars using catastrophe theory, as an extension of the previous work on Q-balls in flat spacetime. We adopt the potential V{sub 3}({phi})=(m{sup 2}/2){phi}{sup 2}-{mu}{phi}{sup 3}+{lambda}{phi}{sup 4} for Q-balls and that with {mu}=0 for boson stars. For solutions with |g{sup rr}-1|{approx}1 at its peak, stability of Q-balls has been lost regardless of the potential parameters. As a result, phase relations, such as a Q-ball charge versus a total Hamiltonian energy, approach those of boson stars, which gives us a unified picture of Q-balls and boson stars.

Broadening sources of Diginity and Affirmation in Work and Relationship

PubMed Central

Byars-Winston, Angela

2012-01-01

This article builds on assertions in Richardson’s (2012, this issue) Major Contribution on counseling for work and relationship. In this reaction, I expand on the relevance and potential of the counseling for work and relationship perspective to enrich the field of counseling psychology. My comments focus on three considerations to further extend the cultural relevance of Richardson’s work and relationship perspective: (1) broadening sources of dignity, (2) centering knowledge of marginalized communities, and (3) promoting psychologists’ critical consciousness. Richardson’s perspective holds great promise for being a guiding heuristic to inform counseling psychology research, theory, and practice. PMID:22563131

Exploring 'generative mechanisms' of the antiretroviral adherence club intervention using the realist approach: a scoping review of research-based antiretroviral treatment adherence theories.

PubMed

Mukumbang, Ferdinand C; Van Belle, Sara; Marchal, Bruno; van Wyk, Brian

2017-05-04

Poor retention in care and non-adherence to antiretroviral therapy (ART) continue to undermine the success of HIV treatment and care programmes across the world. There is a growing recognition that multifaceted interventions - application of two or more adherence-enhancing strategies - may be useful to improve ART adherence and retention in care among people living with HIV/AIDS. Empirical evidence shows that multifaceted interventions produce better results than interventions based on a singular perspective. Nevertheless, the bundle of mechanisms by which multifaceted interventions promote ART adherence are poorly understood. In this paper, we reviewed theories on ART adherence to identify candidate/potential mechanisms by which the adherence club intervention works. We searched five electronic databases (PubMed, EBSCOhost, CINAHL, PsycARTICLES and Google Scholar) using Medical Subject Headings (MeSH) terms. A manual search of citations from the reference list of the studies identified from the electronic databases was also done. Twenty-six articles that adopted a theory-guided inquiry of antiretroviral adherence behaviour were included for the review. Eleven cognitive and behavioural theories underpinning these studies were explored. We examined each theory for possible 'generative causality' using the realist evaluation heuristic (Context-Mechanism-Outcome) configuration, then, we selected candidate mechanisms thematically. We identified three major sets of theories: Information-Motivation-Behaviour, Social Action Theory and Health Behaviour Model, which explain ART adherence. Although they show potential in explaining adherence bebahiours, they fall short in explaining exactly why and how the various elements they outline combine to explain positive or negative outcomes. Candidate mechanisms indentified were motivation, self-efficacy, perceived social support, empowerment, perceived threat, perceived benefits and perceived barriers. Although these candidate mechanisms have been distilled from theories employed to explore adherence to ART in various studies, the theories by themselves do not provide an explanatory model of adherence based on the realist logic. The identified theories and candidate mechanisms offer possible generative mechanisms to explain how and why patients adhere (or not) to antiretroviral therapy. The study provides crucial insights to understanding how and why multifaceted adherence-enhancing interventions work (or not). These findings have implications for eliciting programme theories of group-based adherence interventions such as the adherence club intervention.

Developmental dyscalculia is related to visuo-spatial memory and inhibition impairment.

PubMed

Szucs, Denes; Devine, Amy; Soltesz, Fruzsina; Nobes, Alison; Gabriel, Florence

2013-01-01

Developmental dyscalculia is thought to be a specific impairment of mathematics ability. Currently dominant cognitive neuroscience theories of developmental dyscalculia suggest that it originates from the impairment of the magnitude representation of the human brain, residing in the intraparietal sulcus, or from impaired connections between number symbols and the magnitude representation. However, behavioral research offers several alternative theories for developmental dyscalculia and neuro-imaging also suggests that impairments in developmental dyscalculia may be linked to disruptions of other functions of the intraparietal sulcus than the magnitude representation. Strikingly, the magnitude representation theory has never been explicitly contrasted with a range of alternatives in a systematic fashion. Here we have filled this gap by directly contrasting five alternative theories (magnitude representation, working memory, inhibition, attention and spatial processing) of developmental dyscalculia in 9-10-year-old primary school children. Participants were selected from a pool of 1004 children and took part in 16 tests and nine experiments. The dominant features of developmental dyscalculia are visuo-spatial working memory, visuo-spatial short-term memory and inhibitory function (interference suppression) impairment. We hypothesize that inhibition impairment is related to the disruption of central executive memory function. Potential problems of visuo-spatial processing and attentional function in developmental dyscalculia probably depend on short-term memory/working memory and inhibition impairments. The magnitude representation theory of developmental dyscalculia was not supported. Copyright © 2013 The Authors. Published by Elsevier Ltd.. All rights reserved.

Theory's role in shaping behavioral health research for population health.

PubMed

King, Abby C

2015-11-26

The careful application of theory often is used in the behavioral health field to enhance our understanding of how the world currently works. But theory also can help us visualize what the world can become, particularly through its potential impacts on population-wide health. Applying a multi-level ecological perspective can help in expanding the field's focus upward toward the population at large. While ecological frameworks have become increasingly popular, arguably such perspectives have fallen short of their potential to actively bridge conceptual constructs and, by extension, intervention approaches, across different levels of population impact. Theoretical and conceptual perspectives that explicitly span levels of impact offer arguably the greatest potential for achieving scientific insights that may in turn produce the largest population health effects. Examples of such "bridging" approaches include theories and models that span behavioral + micro-environment, behavioral + social/cultural, and social + physical environment constructs. Several recommendations are presented related to opportunities for leveraging theories to attain the greatest impact in the population health science field. These include applying the evidence obtained from person-level theories to inform methods for positively impacting the behaviors of community gatekeepers and decision-makers for greater population change and reach; leveraging the potential of residents as "citizen scientists"--a resource for enacting behavioral health changes at the individual, environmental, and policy levels; using empirical observations and theory in equal parts to build more robust, relevant, and solution-oriented behavior change programs; exploring moderators and mediators of change at levels of impact that go beyond the individual; and considering the circumstances in which applying conceptual methods that embrace a "complexity" as opposed to "causality" perspective may lead to more flexible and agile scientific approaches that could accelerate both population-relevant discoveries and applications in the field. The commentary closes with suggestions concerning additional areas to be considered to facilitate continued advances in the health behavior field more generally to attain the greatest impacts on population health.

Computer Simulation of Laboratory Experiments: An Unrealized Potential.

ERIC Educational Resources Information Center

Magin, D. J.; Reizes, J. A.

1990-01-01

Discussion of the use of computer simulation for laboratory experiments in undergraduate engineering education focuses on work at the University of New South Wales in the instructional design and software development of a package simulating a heat exchange device. The importance of integrating theory, design, and experimentation is also discussed.…

Improving Leadership Preparation Programs Through a School, University, and Professional Organization Partnership.

ERIC Educational Resources Information Center

Peel, Henry A.; Wallace, Corinna; Buckner, Kermit G.; Wrenn, Steven L.; Evans, Ralph

1998-01-01

A North Carolina school system worked with NASSP and an area university to develop an improved administrator-preparation plan. Created by NASSP to unite key preparation elements, the "Potential Administrator Development Program" stresses field-based experiences via theory-to-practice classroom activities, mentoring opportunities,…

Staging Legitimacy: Theorising Identity Claims in Anti-Homophobia Theatre-in-Education

ERIC Educational Resources Information Center

Greer, Stephen

2011-01-01

This paper offers a queer-theory inflected reading of identity practices in British Theatre-in-Education (TIE) work seeking to address sexual identity and, more specifically, homophobic bullying. Noting the potentially unmarked or socially invisible quality of queer identities, this discussion seeks to reconsider the status of "coming…

Generating Ideas in Jazz Improvisation: Where Theory Meets Practice

ERIC Educational Resources Information Center

Hargreaves, Wendy

2012-01-01

Idea generation is an integral component of jazz improvising. This article merges theoretical origins and practical experiences through the examination of two seminal works from Pressing and Sudnow. A comparative analysis yields three common sources with distinct characteristics. The greater body of jazz literature supports this potential link…

Motivating the Potential Social Worker.

ERIC Educational Resources Information Center

Clavner, Jerry B.; Clavner, Catherine

Recently, there have been some major changes in the theory and practice of social services, social welfare, and social work. However, instead of the major educational modifications necessary to accompany these changes, minor curriculum changes have taken place. The need to modify education programs is severe at the undergraduate level, and…

A Comparison of Transpersonal, Wholistic, and Other Major Counseling Theories.

ERIC Educational Resources Information Center

Peterson, J. Vincent; Nisenholz, Bernard

Transpersonal Counseling and Wholistic Counseling are two relatively new approaches to psychotherapy. Transpersonal counseling is based on the work of transpersonal psychologists who believe that there are potential cognitive, moral, and motivational stages of development beyond those reached by most adults. It suggests a "fourth force"…

Teachers' "Contact" at the Integrated Bilingual Schools in Israel

ERIC Educational Resources Information Center

Bekerman, Zvi

2012-01-01

This article is about teachers working at the bilingual integrated schools in Israel. The study allows us to problematise and critically approach cross-cultural encounters on the basis of contact theory, which posits understandings regarding social interaction across cultural-political boundaries. It exposes potential differences between the…

Interpretive Excursions in Educational Administration: Reconstructing Weberian Theory as a Comparative Historical Sociology.

ERIC Educational Resources Information Center

Samier, Eugenie A.

1996-01-01

Examines the presentation of Max Weber's work in educational administration. Shows how the nature and scope of Weber's methodological writings and studies have been misrepresented and how the potential value of Weber's comparative historical sociology has been reduced to administrative studies. Considers Weber's historical principles of…

The sociobiology of genes: the gene's eye view as a unifying behavioural-ecological framework for biological evolution.

PubMed

De Tiège, Alexis; Van de Peer, Yves; Braeckman, Johan; Tanghe, Koen B

2017-11-22

Although classical evolutionary theory, i.e., population genetics and the Modern Synthesis, was already implicitly 'gene-centred', the organism was, in practice, still generally regarded as the individual unit of which a population is composed. The gene-centred approach to evolution only reached a logical conclusion with the advent of the gene-selectionist or gene's eye view in the 1960s and 1970s. Whereas classical evolutionary theory can only work with (genotypically represented) fitness differences between individual organisms, gene-selectionism is capable of working with fitness differences among genes within the same organism and genome. Here, we explore the explanatory potential of 'intra-organismic' and 'intra-genomic' gene-selectionism, i.e., of a behavioural-ecological 'gene's eye view' on genetic, genomic and organismal evolution. First, we give a general outline of the framework and how it complements the-to some extent-still 'organism-centred' approach of classical evolutionary theory. Secondly, we give a more in-depth assessment of its explanatory potential for biological evolution, i.e., for Darwin's 'common descent with modification' or, more specifically, for 'historical continuity or homology with modular evolutionary change' as it has been studied by evolutionary developmental biology (evo-devo) during the last few decades. In contrast with classical evolutionary theory, evo-devo focuses on 'within-organism' developmental processes. Given the capacity of gene-selectionism to adopt an intra-organismal gene's eye view, we outline the relevance of the latter model for evo-devo. Overall, we aim for the conceptual integration between the gene's eye view on the one hand, and more organism-centred evolutionary models (both classical evolutionary theory and evo-devo) on the other.

Electromechanical instability in soft materials: Theory, experiments and applications

NASA Astrophysics Data System (ADS)

Suo, Zhigang

2013-03-01

Subject to a voltage, a membrane of a dielectric elastomer reduces thickness and expands area, possibly straining over 100%. The phenomenon is being developed as transducers for broad applications, including soft robots, adaptive optics, Braille displays, and electric generators. The behavior of dielectric elastomers is closely tied to electromechanical instability. This instability may limit the performance of devices, and may also be used to achieve giant actuation strains. This talk reviews the theory of dielectric elastomers, coupling large deformation and electric potential. The theory is developed within the framework of continuum mechanics and thermodynamics. The theory attempts to answer commonly asked questions. How do mechanics and electrostatics work together to generate large deformation? How efficiently can a material convert energy from one form to another? How do molecular processes affect macroscopic behavior? The theory is used to describe electromechanical instability, and is related to recent experiments.

Workshop on Squeezed States and Uncertainty Relations

NASA Technical Reports Server (NTRS)

Han, Daesoo (Editor); Kim, Y. S. (Editor); Zachary, W. W. (Editor)

1992-01-01

The proceedings from the workshop are presented, and the focus was on the application of squeezed states. There are many who say that the potential for industrial applications is enormous, as the history of the conventional laser suggests. All those who worked so hard to produce squeezed states of light are continuing their efforts to construct more efficient squeezed-state lasers. Quite naturally, they are looking for new experiments using these lasers. The physical basis of squeezed states is the uncertainty relation in Fock space, which is also the basis for the creation and annihilation of particles in quantum field theory. Indeed, squeezed states provide a unique opportunity for field theoreticians to develop a measurement theory for quantum field theory.

Towards Ubiquitous Blood Pressure Monitoring via Pulse Transit Time: Theory and Practice

PubMed Central

Hahn, Jin-Oh; Inan, Omer T.; Mestha, Lalit K.; Kim, Chang-Sei; Töreyin, Hakan; Kyal, Survi

2015-01-01

Ubiquitous blood pressure (BP) monitoring is needed to improve hypertension detection and control and is becoming feasible due to recent technological advances such as in wearable sensing. Pulse transit time (PTT) represents a well-known, potential approach for ubiquitous BP monitoring. The goal of this review is to facilitate the achievement of reliable, ubiquitous BP monitoring via PTT. We explain the conventional BP measurement methods and their limitations; present models to summarize the theory of the PTT-BP relationship; outline the approach while pinpointing the key challenges; overview the previous work towards putting the theory to practice; make suggestions for best practice and future research; and discuss realistic expectations for the approach. PMID:26057530

Effective equilibrium states in mixtures of active particles driven by colored noise

NASA Astrophysics Data System (ADS)

Wittmann, René; Brader, J. M.; Sharma, A.; Marconi, U. Marini Bettolo

2018-01-01

We consider the steady-state behavior of pairs of active particles having different persistence times and diffusivities. To this purpose we employ the active Ornstein-Uhlenbeck model, where the particles are driven by colored noises with exponential correlation functions whose intensities and correlation times vary from species to species. By extending Fox's theory to many components, we derive by functional calculus an approximate Fokker-Planck equation for the configurational distribution function of the system. After illustrating the predicted distribution in the solvable case of two particles interacting via a harmonic potential, we consider systems of particles repelling through inverse power-law potentials. We compare the analytic predictions to computer simulations for such soft-repulsive interactions in one dimension and show that at linear order in the persistence times the theory is satisfactory. This work provides the toolbox to qualitatively describe many-body phenomena, such as demixing and depletion, by means of effective pair potentials.

University Physics, Study Guide, Revised Edition

NASA Astrophysics Data System (ADS)

Benson, Harris

1996-01-01

Partial table of contents: Vectors. One-Dimensional Kinematics. Particle Dynamics II. Work and Energy. Linear Momentum. Systems of Particles. Angular Momentum and Statics. Gravitation. Solids and Fluids. Oscillations. Mechanical Waves. Sound. First Law of Thermodynamics. Kinetic Theory. Entropy and the Second Law of Thermodynamics. Electrostatics. The Electric Field. Gauss's Law. Electric Potential. Current and Resistance. The Magnetic Field. Sources of the Magnetic Field. Electromagnetic Induction. Light: Reflection and Refraction. Lenses and Optical Instruments. Wave Optics I. Special Relativity. Early Quantum Theory. Nuclear Physics. Appendices. Answers to Odd-Numbered Exercises and Problems. Index.

Systematic searching for theory to inform systematic reviews: is it feasible? Is it desirable?

PubMed

Booth, Andrew; Carroll, Christopher

2015-09-01

In recognising the potential value of theory in understanding how interventions work comes a challenge - how to make identification of theory less haphazard? To explore the feasibility of systematic identification of theory. We searched PubMed for published reviews (1998-2012) that had explicitly sought to identify theory. Systematic searching may be characterised by a structured question, methodological filters and an itemised search procedure. We constructed a template (BeHEMoTh - Behaviour of interest; Health context; Exclusions; Models or Theories) for use when systematically identifying theory. The authors tested the template within two systematic reviews. Of 34 systematic reviews, only 12 reviews (35%) reported a method for identifying theory. Nineteen did not specify how they identified studies containing theory. Data were unavailable for three reviews. Candidate terms include concept(s)/conceptual, framework(s), model(s), and theory/theories/theoretical. Information professionals must overcome inadequate reporting and the use of theory out of context. The review team faces an additional concern in lack of 'theory fidelity'. Based on experience with two systematic reviews, the BeHEMoTh template and procedure offers a feasible and useful approach for identification of theory. Applications include realist synthesis, framework synthesis or review of complex interventions. The procedure requires rigorous evaluation. © 2015 Health Libraries Group.

Common misconceptions about the dynamical theory of crystal lattices: Cauchy relations, lattice potentials and infinite crystals

NASA Astrophysics Data System (ADS)

Elcoro, Luis; Etxebarria, Jesús

2011-01-01

The requirement of rotational invariance for lattice potential energies is investigated. Starting from this condition, it is shown that the Cauchy relations for the elastic constants are fulfilled if the lattice potential is built from pair interactions or when the first-neighbour approximation is adopted. This is seldom recognized in widely used solid-state textbooks. Frequently, pair interaction is even considered to be the most general situation. In addition, it is shown that the demand of rotational invariance in an infinite crystal leads to inconsistencies in the symmetry of the elastic tensor. However, for finite crystals, no problems arise, and the Huang conditions are deduced using exclusively a microscopic approach for the elasticity theory, without making any reference to macroscopic parameters. This work may be useful in both undergraduate and graduate level courses to point out the crudeness of the pair-potential interaction and to explore the limits of the infinite-crystal approximation.

Viable inflationary evolution from Einstein frame loop quantum cosmology

NASA Astrophysics Data System (ADS)

de Haro, Jaume; Odintsov, S. D.; Oikonomou, V. K.

2018-04-01

In this work we construct a bottom-up reconstruction technique for loop quantum cosmology scalar-tensor theories, from the observational indices. Particularly, the reconstruction technique is based on fixing the functional form of the scalar-to-tensor ratio as a function of the e -foldings number. The aim of the technique is to realize viable inflationary scenarios, and the only assumption that must hold true in order for the reconstruction technique to work is that the dynamical evolution of the scalar field obeys the slow-roll conditions. We use two functional forms for the scalar-to-tensor ratio, one of which corresponds to a popular inflationary class of models, the α attractors. For the latter, we calculate the leading order behavior of the spectral index and we demonstrate that the resulting inflationary theory is viable and compatible with the latest Planck and BICEP2/Keck-Array data. In addition, we find the classical limit of the theory, and as we demonstrate, the loop quantum cosmology corrected theory and the classical theory are identical at leading order in the perturbative expansion quantified by the parameter ρc, which is the critical density of the quantum theory. Finally, by using the formalism of slow-roll scalar-tensor loop quantum cosmology, we investigate how several inflationary potentials can be realized by the quantum theory, and we calculate directly the slow-roll indices and the corresponding observational indices. In addition, the f (R ) gravity frame picture is presented.

The Progress of Physics

NASA Astrophysics Data System (ADS)

Schuster, Arthur

2015-10-01

Introduction; 1. Scope of lectures. State of physics in 1875. Science of energy. Theory of gases. Elastic solid theory of light. Maxwell's theory of electricity. Training of students. Maxwell's view. Accurate measurement and discovery of Argon. German methods. Kirchhoff's laboratory. Wilhelm Weber's laboratory. The two laboratories of Berlin. Laboratory instruction at Manchester. Position of physics in mathematical tripos at Cambridge. Todhunter's views. The Cavendish laboratory. Spectrum analysis. The radiometer. Theory of vortex atom; 2. Action at a distance. Elastic solid of theory of light. Maxwell's theory of electrical action. Electro-magnetic theory. Verification of electromagnetic theory by Hertz. Electro-magnetic waves. Wireless telegraphy. First suggestion of molecular structure of electricity. Early experiments in the electric discharge through gases. Kathode rays. Works of Goldstein and Crookes. Hittorf's investigations. Own work on the discharge through gases. Ionization of gases. Magnetic deflexion of kathode rays. J. J. Thomson's experiments. Measurement of atomic charge; 3. Roentgen's discovery. Theories of Roentgen rays. Ionizing power of Roentgen rays. Conduction of electricity through ionized gases. Discovery of radio-activity. Discovery of radium. Magnetic deflexion of rays emitted by radio-active bodies. Discovery of emanations. Theory of radio-active change. Decay of the atom. Connexion between helium and the a ray. Helium produced by radium. Strutt's researches on helium accumulated in rocks. Electric inertia. Constitution of atom. J. J. Thomson's theory of Roentgen radiation. The Michelson-Morley experiment. Principle of relativity. The Zeeman effect. Other consequences of electron theory. Contrast between old and modern school of physics; 4. Observational sciences. Judgment affected by scale. Terrestrial magnetism. Existence of potential. Separation of internal and external causes. Diurnal variation. Magnetic storms. Their causes. Solar influence. Theories of secular variation. Atmospheric electricity. Negative charge of Earth. Ionization of air. Origin of atmospheric electricity. Electric charge of rain. Ebert's theory. Cause of thunderstorms. The age of the Earth. Rigidity of Earth. Displacement of axis. Gravitation. Identity of molecules of the same kind; Index.

Two-dimensional simulation of quantum reflection

NASA Astrophysics Data System (ADS)

Galiffi, Emanuele; Sünderhauf, Christoph; DeKieviet, Maarten; Wimberger, Sandro

2017-05-01

A propagation method for the scattering of a quantum wave packet from a potential surface is presented. It is used to model the quantum reflection of single atoms from a corrugated (metallic) surface. Our numerical procedure works well in two spatial dimensions requiring only reasonable amounts of memory and computing time. The effects of the surface corrugation on the reflectivity are investigated via simulations with a paradigm potential. These indicate that our approach should allow for future tests of realistic, effective potentials obtained from theory in a quantitative comparison to experimental data.

Intermediate Temperature Fluids Life Tests - Theory

NASA Technical Reports Server (NTRS)

Tarau, Calin; Sarraf, David B.; Locci, Ivan E.; Anderson, William G.

2008-01-01

There are a number of different applications that could use heat pipes or loop heat pipes (LHPs) in the intermediate temperature range of 450 to 750 K, including space nuclear power system radiators, and high temperature electronics cooling. Potential working fluids include organic fluids, elements, and halides, with halides being the least understood, with only a few life tests conducted. Potential envelope materials for halide working fluids include pure aluminum, aluminum alloys, commercially pure (CP) titanium, titanium alloys, and corrosion resistant superalloys. Life tests were conducted with three halides (AlBr3, SbBr3, and TiCl4) and water in three different envelopes: two aluminum alloys (Al-5052, Al-6061) and Cp-2 titanium. The AlBr3 attacked the grain boundaries in the aluminum envelopes, and formed TiAl compounds in the titanium. The SbBr3 was incompatible with the only envelope material that it was tested with, Al-6061. TiCl4 and water were both compatible with CP2-titanium. A theoretical model was developed that uses electromotive force differences to predict the compatibility of halide working fluids with envelope materials. This theory predicts that iron, nickel, and molybdenum are good envelope materials, while aluminum and titanium halides are good working fluids. The model is in good agreement with results form previous life tests, as well as the current life tests.

A Transferrable Belief Model Representation for Physical Security of Nuclear Materials

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

David Gerts

This work analyzed various probabilistic methods such as classic statistics, Bayesian inference, possibilistic theory, and Dempster-Shafer theory of belief functions for the potential insight offered into the physical security of nuclear materials as well as more broad application to nuclear non-proliferation automated decision making theory. A review of the fundamental heuristic and basic limitations of each of these methods suggested that the Dempster-Shafer theory of belief functions may offer significant capability. Further examination of the various interpretations of Dempster-Shafer theory, such as random set, generalized Bayesian, and upper/lower probability demonstrate some limitations. Compared to the other heuristics, the transferrable beliefmore » model (TBM), one of the leading interpretations of Dempster-Shafer theory, can improve the automated detection of the violation of physical security using sensors and human judgment. The improvement is shown to give a significant heuristic advantage over other probabilistic options by demonstrating significant successes for several classic gedanken experiments.« less

Putting knowledge to work: a new approach.

PubMed

Evans, Karen; Guile, David; Harris, Judy; Allan, Helen

2010-04-01

Approaches to the longstanding challenges of 'integrating' subject-based and work-based knowledge have typically focused on questions of how learning can be 'transferred' from one setting to another, relating the assumed 'abstract' nature of theory to the assumed 'real' nature of practice. This is often seen as a single movement as encapsulated in the term 'from theory to practice'. The authors have developed a fresh approach that concentrates on different forms of knowledge and the ways in which these are contextualised and 're-contextualised' in movements between different sites of learning in colleges and workplaces. While the research has been carried out in a range of professional fields outside nursing, the arguments put forward by the authors are relevant to continuing debates within nursing around the theory-practice gap. The aim has been to explore how the subject-based and work-based aspects of a curriculum or learning programme can articulate with one another more effectively. The potential of the 're-contextualisation' approach for nurse education is outlined, with a view to further research. The original research was sponsored by the London Chamber of Commerce and Industry Commercial Education Trust and the Economic and Social Research Council Teaching and Learning Research Programme.

Person-centered work environments, psychological safety, and positive affect in healthcare: a theoretical framework.

PubMed

Rathert, Cheryl; May, Douglas R

2008-01-01

We propose that in order to systematically improve healthcare quality, healthcare organizations (HCOs) need work environments that are person-centered: environments that support the careprovider as well as the patient. We further argue that HCOs have a moral imperative to provide a workplace where professional care standards can be achieved. We draw upon a large body of research from several disciplines to propose and articulate a theoretical framework that explains how the work environment should be related to the well-being of patients and careproviders, that is, the potential mediating mechanisms. Person-centered work environments include: 1. Climates for patient-centered care. 2. Climates for quality improvement. 3. Benevolent ethical climates. Such a work environment should support the provision of patient-centered care, and should lead to positive psychological states for careproviders, including psychological safety and positive affect. The model contributes to theory by specifying relationships between important organizational variables. The model can potentially contribute to practice by linking specific work environment attributes to outcomes for careproviders and patients.

Contributions of team climate in the study of interprofessional collaboration: A conceptual analysis.

PubMed

Agreli, Heloise F; Peduzzi, Marina; Bailey, Christopher

2017-11-01

The concept of team climate is widely used to understand and evaluate working environments. It shares some important features with Interprofessional Collaboration (IPC). The four-factor theory of climate for work group innovation, which underpins team climate, could provide a better basis for understanding both teamwork and IPC. This article examines in detail the common ground between team climate and IPC, and assesses the relevance of team climate as a theoretical approach to understanding IPC. There are important potential areas of overlap between team climate and IPC that we have grouped under four headings: (1) interaction and communication between team members; (2) common objectives around which collective work is organised; (3) responsibility for performing work to a high standard; and (4) promoting innovation in working practices. These overlapping areas suggest common characteristics that could provide elements of a framework for considering the contribution of team climate to collaborative working, both from a conceptual perspective and, potentially, in operational terms as, for example, a diagnostic tool.

Why does tropical convective available potential energy (CAPE) increase with warming?

NASA Astrophysics Data System (ADS)

Seeley, Jacob T.; Romps, David M.

2015-12-01

Recent work has produced a theory for tropical convective available potential energy (CAPE) that highlights the Clausius-Clapeyron (CC) scaling of the atmosphere's saturation deficit as a driver of increases in CAPE with warming. Here we test this so-called "zero-buoyancy" theory for CAPE by modulating the saturation deficit of cloud-resolving simulations of radiative-convective equilibrium in two ways: changing the sea surface temperature (SST) and changing the environmental relative humidity (RH). For earthlike and warmer SSTs, undilute parcel buoyancy in the lower troposphere is insensitive to increasing SST because of a countervailing CC scaling that balances the increase in the saturation deficit; however, buoyancy increases dramatically with SST in the upper troposphere. Conversely, in the RH experiment, undilute buoyancy throughout the troposphere increases monotonically with decreasing RH. We show that the zero-buoyancy theory successfully predicts these contrasting behaviors, building confidence that it describes the fundamental physics of CAPE and its response to warming.

Self-Regulation and Mechanisms of Action in Psychotherapy: A Theory-Based Translational Perspective

PubMed Central

Strauman, Timothy J.; Goetz, Elena L.; Detloff, Allison M.; MacDuffie, Katherine E.; Zaunmüller, Luisa; Lutz, Wolfgang

2012-01-01

Psychotherapy is a complex, multi-layered process with the potential to bring about changes at multiple levels of functioning, from the neurobiology of the brain to the individual’s role in the social world. Although studies of the mechanisms by which psychotherapy leads to change continue to appear, there remains much to be learned about how psychological interventions work. To guide explorations of how and for whom particular treatment approaches lead to change, researchers can rely on theory to identify potential loci for change and on translational research methods to integrate basic behavioral science and neuroscience with clinical science. In this article, we describe research linking individual differences in the self-regulation of personal goal pursuit with the etiology and treatment of mood disorders. The research draws upon regulatory focus theory as a model of self-regulation and on microintervention designs – controlled laboratory investigations of a specific therapeutic technique – to generate and test hypotheses about how psychological interventions can help to reverse maladaptive self-regulatory processes. PMID:23072383

Theory-and evidence-based development and process evaluation of the Move More for Life program: a tailored-print intervention designed to promote physical activity among post-treatment breast cancer survivors

PubMed Central

2013-01-01

Objective Several physical activity interventions have been effective in improving the health outcomes of breast cancer survivors. However, few interventions have provided detailed descriptions regarding how such interventions work. To develop evidence-based practice in this field, detailed descriptions of intervention development and delivery is needed. This paper aims to (1) describe the theory-and evidence-based development of the Move More for Life program, a physical activity program for breast cancer survivors; and (2) serve as an exemplar for theory-based applied research. Method The program-planning model outlined by Kreuter and colleagues was used to develop the computer-tailored intervention. Results The tailoring guide developed by Kreuter and colleagues served as a useful program planning tool in terms of integrating theory and evidence-based best practice into intervention strategies. Overall, participants rated the intervention positively, with the majority reporting that the tailored materials caught their attention, were personally relevant to them, and were useful for helping them to change their behaviour. However, there was considerable room for improvement. Conclusion The Move More for Life program is an example of a theory-based, low-cost and potentially sustainable strategy to physical activity promotion and may stand as an exemplar for Social Cognitive Theory-based applied research. By providing a detailed description of the development of the Move More for Life program, a critical evaluation of the working mechanisms of the intervention is possible, and will guide researchers in the replication or adaption and re-application of the specified techniques. This has potential implications for researchers examining physical activity promotion among cancer survivors and for researchers exploring distance-based physical activity promotion techniques among other populations. Trial registrations Australian New Zealand Clinical Trials Registry (ANZCTR) identifier: ACTRN12611001061921. PMID:24192320

Brane-world black hole solutions via a confining potential

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

Heydari-Fard, M.; Sepangi, H. R.; Razmi, H.

2007-09-15

Using a confining potential, we consider spherically symmetric vacuum (static black hole) solutions in a brane-world scenario. Working with a constant curvature bulk, two interesting cases/solutions are studied. A Schwarzschild-de Sitter black hole solution similar to the standard solution in the presence of a cosmological constant is obtained which confirms the idea that an extra term in the field equations on the brane can play the role of a positive cosmological constant and may be used to account for the accelerated expansion of the universe. The other solution is one in which we can have a proper potential to explainmore » the galaxy rotation curves without assuming the existence of dark matter and without working with new modified theories (modified Newtonian dynamics)« less

The optimized effective potential and the self-interaction correction in density functional theory: Application to molecules

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

Garza, Jorge; Nichols, Jeffrey A.; Dixon, David A.

2000-05-08

The Krieger, Li, and Iafrate approximation to the optimized effective potential including the self-interaction correction for density functional theory has been implemented in a molecular code, NWChem, that uses Gaussian functions to represent the Kohn and Sham spin-orbitals. The differences between the implementation of the self-interaction correction in codes where planewaves are used with an optimized effective potential are discussed. The importance of the localization of the spin-orbitals to maximize the exchange-correlation of the self-interaction correction is discussed. We carried out exchange-only calculations to compare the results obtained with these approximations, and those obtained with the local spin density approximation,more » the generalized gradient approximation and Hartree-Fock theory. Interesting results for the energy difference (GAP) between the highest occupied molecular orbital, HOMO, and the lowest unoccupied molecular orbital, LUMO, (spin-orbital energies of closed shell atoms and molecules) using the optimized effective potential and the self-interaction correction have been obtained. The effect of the diffuse character of the basis set on the HOMO and LUMO eigenvalues at the various levels is discussed. Total energies obtained with the optimized effective potential and the self-interaction correction show that the exchange energy with these approximations is overestimated and this will be an important topic for future work. (c) 2000 American Institute of Physics.« less

On the Numerical Analysis of Decay Rate Enhancement in Metallic Environment

NASA Astrophysics Data System (ADS)

Mehedinteanu, S.

2007-10-01

Motivated on the very recent experiments to determine the acceleration of the alpha decay of meta-stable radionuclides in metallic environment some work has been done to strengthten the importance in the process of electrons screening in metals. Thus, by combining the Gamow decay theory with electrostatic screening in Debye-Hückel approximation (jellium model) a formula for ``the shift'' in screening energy which enters in the decay enhancement factor expression that copes well with these experiments has been derived. It was established that to simulate the poly-atoms system containing decaying isotopes in QM&MD codes calculations, and to include ``the screening energy shift'' of protons, decay alpha, beta+ particles due to all surrounding interacting effects, it is sufficiently only to substitute the code ruly pseudo-potential input for hydrogen-like atoms (including alpha) by a screened Coulomb potential as from the well-known Gamow alpha decay theory. For demonstration is used the QM&MD code package which usually performs density-functional theory (DFT) total-energy calculations for materials ranging from insulators to transition metals. This package employs first-principles pseudo-potentials and a plane-wave basis-set, and it was used to do a special calculus for some metal environments (Pd) where protons-deuterons are implanted or when it is alloyed with a radionuclide-like isotopes (174Hf72), the results compare well with the existing experiments on the decay enhancement. These works give further arguments for a cheap solution to remove the transuranic waste (involving all alpha-decay) of used-up rods of fission reactors in a time period of a few years.

Problem? "No Problem!" Solving Technical Contradictions

ERIC Educational Resources Information Center

Kutz, K. Scott; Stefan, Victor

2007-01-01

TRIZ (pronounced TREES), the Russian acronym for the theory of inventive problem solving, enables a person to focus his attention on finding genuine, potential solutions in contrast to searching for ideas that "may" work through a happenstance way. It is a patent database-backed methodology that helps to reduce time spent on the problem,…

The Potential Impact of Environmental Play and Education on Empathy in Children

ERIC Educational Resources Information Center

Anzek, Kimberly E.

2013-01-01

Teaching children to be empathetic is important because empathy is linked with positive social behaviors, future academic success, and the development of work-related skills. Children's relationships with nature can help to establish their values and relationships with other people. The purpose of the study, based on empathy theory, was to…

Spoiled Group Identities and Backstage Work: A Theory of Stigma Management Rehearsals

ERIC Educational Resources Information Center

O'Brien, John

2011-01-01

How do persons with a stigmatized identity learn potential responses to discrimination and harassment? Drawing on three and a half years of ethnographic data, this paper demonstrates how members of a group of Muslim American youth are socialized in locally dominant stigma management strategies through stigma management rehearsals. Stigma…

Who Benefits from Group Work in Higher Education? An Attachment Theory Perspective

ERIC Educational Resources Information Center

Lavy, Shiri

2017-01-01

Several studies have pointed to the benefits of learning in groups. However, surprisingly little research has been conducted regarding what role relationship-related personality traits play in the effectiveness of this kind of student learning. Such personality factor can potentially buffer the students' effectiveness in groups. The present study…

Functional Requirements for Bibliographic Records: An Investigation of Two Prototypes

ERIC Educational Resources Information Center

Pisanski, Jan; Zumer, Maja

2007-01-01

Purpose: This paper aims to establish how the Functional Requirements for Bibliographic Records (FRBR) conceptual model, which holds a lot of potential in theory, works in practice. It also aims to identify, and if possible, give solutions to problems found in two of the existing prototypes. Design/methodology/approach: An independent evaluation…

A Pedagogy "for" Space: Teaching, Learning, and Studying in the Baltimore Rebellion

ERIC Educational Resources Information Center

Ford, Derek R.

2016-01-01

While most educational literature on space has tended to ask what spatial studies can offer education, this article works primarily to "educationalize" theories of space. It does so by homing in on Henri Lefebvre's theorization of the production of space as a potentially revolutionary activity. After spending some time situating…

Statistical Power for Causally Defined Indirect Effects in Group-Randomized Trials with Individual-Level Mediators

ERIC Educational Resources Information Center

Kelcey, Benjamin; Dong, Nianbo; Spybrook, Jessaca; Cox, Kyle

2017-01-01

Designs that facilitate inferences concerning both the total and indirect effects of a treatment potentially offer a more holistic description of interventions because they can complement "what works" questions with the comprehensive study of the causal connections implied by substantive theories. Mapping the sensitivity of designs to…

Applicability of Donnan equilibrium theory at nanochannel-reservoir interfaces.

PubMed

Tian, Huanhuan; Zhang, Li; Wang, Moran

2015-08-15

Understanding ionic transport in nanochannels has attracted broad attention from various areas in energy and environmental fields. In most pervious research, Donnan equilibrium has been applied widely to nanofluidic systems to obtain ionic concentration and electrical potential at channel-reservoir interfaces; however, as well known that Donnan equilibrium is derived from classical thermodynamic theories with equilibrium assumptions. Therefore the applicability of the Donnan equilibrium may be questionable when the transport at nanochannel-reservoir interface is strongly non-equilibrium. In this work, the Poisson-Nernst-Planck model for ion transport is numerically solved to obtain the exact distributions of ionic concentration and electrical potential. The numerical results are quantitatively compared with the Donnan equilibrium predictions. The applicability of Donnan equilibrium is therefore justified by changing channel length, reservoir ionic concentration, surface charge density and channel height. The results indicate that the Donnan equilibrium is not applicable for short nanochannels, large concentration difference and wide openings. A non-dimensional parameter, Q factor, is proposed to measure the non-equilibrium extent and the relation between Q and the working conditions is studied in detail. Copyright © 2015 Elsevier Inc. All rights reserved.

Interprofessional learning at work: what spatial theory can tell us about workplace learning in an acute care ward.

PubMed

Gregory, Linda Rosemary; Hopwood, Nick; Boud, David

2014-05-01

It is widely recognized that every workplace potentially provides a rich source of learning. Studies focusing on health care contexts have shown that social interaction within and between professions is crucial in enabling professionals to learn through work, address problems and cope with challenges of clinical practice. While hospital environments are beginning to be understood in spatial terms, the links between space and interprofessional learning at work have not been explored. This paper draws on Lefebvre's tri-partite theoretical framework of perceived, conceived and lived space to enrich understandings of interprofessional learning on an acute care ward in an Australian teaching hospital. Qualitative analysis was undertaken using data from observations of Registered Nurses at work and semi-structured interviews linked to observed events. The paper focuses on a ward round, the medical workroom and the Registrar's room, comparing and contrasting the intended (conceived), practiced (perceived) and pedagogically experienced (lived) spatial dimensions. The paper concludes that spatial theory has much to offer understandings of interprofessional learning in work, and the features of work environments and daily practices that produce spaces that enable or constrain learning.

Local and linear chemical reactivity response functions at finite temperature in density functional theory

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

Franco-Pérez, Marco, E-mail: francopj@mcmaster.ca, E-mail: ayers@mcmaster.ca, E-mail: jlgm@xanum.uam.mx, E-mail: avela@cinvestav.mx; Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, México, D.F. 09340; Ayers, Paul W., E-mail: francopj@mcmaster.ca, E-mail: ayers@mcmaster.ca, E-mail: jlgm@xanum.uam.mx, E-mail: avela@cinvestav.mx

2015-12-28

We explore the local and nonlocal response functions of the grand canonical potential density functional at nonzero temperature. In analogy to the zero-temperature treatment, local (e.g., the average electron density and the local softness) and nonlocal (e.g., the softness kernel) intrinsic response functions are defined as partial derivatives of the grand canonical potential with respect to its thermodynamic variables (i.e., the chemical potential of the electron reservoir and the external potential generated by the atomic nuclei). To define the local and nonlocal response functions of the electron density (e.g., the Fukui function, the linear density response function, and the dualmore » descriptor), we differentiate with respect to the average electron number and the external potential. The well-known mathematical relationships between the intrinsic response functions and the electron-density responses are generalized to nonzero temperature, and we prove that in the zero-temperature limit, our results recover well-known identities from the density functional theory of chemical reactivity. Specific working equations and numerical results are provided for the 3-state ensemble model.« less

Local and linear chemical reactivity response functions at finite temperature in density functional theory.

PubMed

Franco-Pérez, Marco; Ayers, Paul W; Gázquez, José L; Vela, Alberto

2015-12-28

We explore the local and nonlocal response functions of the grand canonical potential density functional at nonzero temperature. In analogy to the zero-temperature treatment, local (e.g., the average electron density and the local softness) and nonlocal (e.g., the softness kernel) intrinsic response functions are defined as partial derivatives of the grand canonical potential with respect to its thermodynamic variables (i.e., the chemical potential of the electron reservoir and the external potential generated by the atomic nuclei). To define the local and nonlocal response functions of the electron density (e.g., the Fukui function, the linear density response function, and the dual descriptor), we differentiate with respect to the average electron number and the external potential. The well-known mathematical relationships between the intrinsic response functions and the electron-density responses are generalized to nonzero temperature, and we prove that in the zero-temperature limit, our results recover well-known identities from the density functional theory of chemical reactivity. Specific working equations and numerical results are provided for the 3-state ensemble model.

Thermodynamic and redox properties of graphene oxides for lithium-ion battery applications: a first principles density functional theory modeling approach.

PubMed

Kim, Sunghee; Kim, Ki Chul; Lee, Seung Woo; Jang, Seung Soon

2016-07-27

Understanding the thermodynamic stability and redox properties of oxygen functional groups on graphene is critical to systematically design stable graphene-based positive electrode materials with high potential for lithium-ion battery applications. In this work, we study the thermodynamic and redox properties of graphene functionalized with carbonyl and hydroxyl groups, and the evolution of these properties with the number, types and distribution of functional groups by employing the density functional theory method. It is found that the redox potential of the functionalized graphene is sensitive to the types, number, and distribution of oxygen functional groups. First, the carbonyl group induces higher redox potential than the hydroxyl group. Second, more carbonyl groups would result in higher redox potential. Lastly, the locally concentrated distribution of the carbonyl group is more beneficial to have higher redox potential compared to the uniformly dispersed distribution. In contrast, the distribution of the hydroxyl group does not affect the redox potential significantly. Thermodynamic investigation demonstrates that the incorporation of carbonyl groups at the edge of graphene is a promising strategy for designing thermodynamically stable positive electrode materials with high redox potentials.

How to build up the actionable knowledge base: the role of 'best fit' framework synthesis for studies of improvement in healthcare.

PubMed

Booth, Andrew; Carroll, Christopher

2015-11-01

Increasing recognition of the role and value of theory in improvement work in healthcare offers the prospect of capitalising upon, and consolidating, actionable lessons from synthesis of improvement projects and initiatives. We propose that informed use of theory can (i) provide a mechanism by which to collect and organise data from a body of improvement work, (ii) offer a framework for analysis and identification of lessons learnt and (iii) facilitate an evaluation of the feasibility, effectiveness and acceptability of improvement programmes. Improvement practitioners can benefit from using an underpinning external structure as a lens by which to examine the specific achievements of their own projects alongside comparable initiatives led by others. We demonstrate the utility of a method known as 'best fit framework synthesis' (BFFS) in offering a ubiquitous and versatile means by which to collect, analyse and evaluate improvement work in healthcare. First reported in 2011, BFFS represents a pragmatic, flexible approach to integrating theory with findings from practice. A deductive phase, where a review team seeks to accommodate a substantial part of the data, is followed by an inductive phase, in which the team explores data not accommodated by the framework. We explore the potential for BFFS within improvement work by drawing upon the evidence synthesis methodology literature and practical examples of improvement work reported in BMJ Quality and Safety (2011-2015). We suggest four variants of BFFS that may have particular value in synthesising a body of improvement work. We conclude that BFFS, alongside other approaches that seek to optimise the contribution of theory to improvement work, represents one important enabling mechanism by which to establish the rigour and scientific credentials of the emerging discipline of 'improvement science'. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.

Gapless topological order, gravity, and black holes

NASA Astrophysics Data System (ADS)

Rasmussen, Alex; Jermyn, Adam S.

2018-04-01

In this work we demonstrate that linearized gravity exhibits gapless topological order with an extensive ground state degeneracy. This phenomenon is closely related both to the topological order of the pyrochlore U (1 ) spin liquid and to recent work by Hawking and co-workers, who used the soft-photon and graviton theorems to demonstrate that the vacuum in linearized gravity is not unique. We first consider lattice models whose low-energy behavior is described by electromagnetism and linearized gravity, and then argue that the topological nature of these models carries over into the continuum. We demonstrate that these models can have many ground states without making assumptions about the topology of spacetime or about the high-energy nature of the theory, and show that the infinite family of symmetries described by Hawking and co-workers is simply the different topological sectors. We argue that in this context black holes appear as topological defects in the infrared theory, and that this suggests a potential approach to understanding both the firewall paradox and information encoding in gravitational theories. Finally, we use insights from the soft-boson theorems to make connections between deconfined gauge theories with continuous gauge groups and gapless topological order.

How to achieve the desired outcomes of advance care planning in nursing homes: a theory of change.

PubMed

Gilissen, J; Pivodic, L; Gastmans, C; Vander Stichele, R; Deliens, L; Breuer, E; Van den Block, L

2018-02-14

Advance care planning (ACP) has been identified as particularly relevant for nursing home residents, but it remains unclear how or under what circumstances ACP works and can best be implemented in such settings. We aimed to develop a theory that outlines the hypothetical causal pathway of ACP in nursing homes, i.e. what changes are expected, by means of which processes and under what circumstances. The Theory of Change approach is a participatory method of programme design and evaluation whose underlying intention is to improve understanding of how and why a programme works. It results in a Theory of Change map that visually represents how, why and under what circumstances ACP is expected to work in nursing home settings in Belgium. Using this approach, we integrated the results of two workshops with stakeholders (n = 27) with the results of a contextual analysis and a systematic literature review. We identified two long-term outcomes that ACP can achieve: to improve the correspondence between residents’ wishes and the care/treatment they receive and to make sure residents and their family feel involved in planning their future care and are confident their care will be according to their wishes. Besides willingness on the part of nursing home management to implement ACP and act accordingly, other necessary preconditions are identified and put in chronological order. These preconditions serve as precursors to, or requirements for, accomplishing successful ACP. Nine original key intervention components with specific rationales are identified at several levels (resident/family, staff or nursing home) to target the preconditions: selection of a trainer, ensuring engagement by management, training ACP reference persons, in-service education for healthcare staff, information for staff, general practitioners, residents and their family, ACP conversations and documentation, regular reflection sessions, multidisciplinary meetings, and formal monitoring. The Theory of Change map presented here illustrates a theory of how ACP is expected to work in order to achieve its desired long-term outcomes while highlighting organisational factors that potentially facilitate the implementation and sustainability of ACP. We provide the first comprehensive rationale of how ACP is expected to work in nursing homes, something that has been called for repeatedly.

Navigating the Risky Terrain of Children's Working Theories

ERIC Educational Resources Information Center

Areljung, Sofie; Kelly-Ware, Janette

2017-01-01

"Working theories" encompass children's theorising about the social and material worlds. This article looks explicitly at power relations involved in pedagogy around children's working theories by focusing on the teacher's control of what and whose working theories get unpacked and extended. From an analysis of four cases from early…

Potential drug - nanosensor conjugates: Raman, infrared absorption, surface - enhanced Raman, and density functional theory investigations of indolic molecules

NASA Astrophysics Data System (ADS)

Pięta, Ewa; Paluszkiewicz, Czesława; Oćwieja, Magdalena; Kwiatek, Wojciech M.

2017-05-01

An extremely important aspect of planning cancer treatment is not only the drug efficiency but also a number of challenges associated with the side effects and control of this process. That is why it is worth paying attention to the promising potential of the gold nanoparticles combined with a compound treated as a potential drug. This work presents Raman (RS), infrared absorption (IR) and surface-enhanced Raman scattering (SERS) spectroscopic investigations of N-acetyl-5-methoxytryptamine (melatonin) and α-methyl-DL-tryptophan, regarding as anti breast cancer agents. The experimental spectroscopic analysis was supported by the quantum-chemical calculations based on the B3LYP hybrid density functional theory (DFT) at the B3LYP 6-311G(d,p) level of theory. The studied compounds were adsorbed onto two colloidal gold nanosensors synthesized by a chemical reduction method using sodium borohydride (SB) and trisodium citrate (TC), respectively. Its morphology characteristics were obtained using transmission electron microscopy (TEM). It has been suggested that the NH moiety from the aromatic ring, a well-known proton donor, causes the formation of hydrogen bonds with the negatively charged gold surface.

Theory of transformation thermal convection for creeping flow in porous media: Cloaking, concentrating, and camouflage

NASA Astrophysics Data System (ADS)

Dai, Gaole; Shang, Jin; Huang, Jiping

2018-02-01

Heat can transfer via thermal conduction, thermal radiation, and thermal convection. All the existing theories of transformation thermotics and optics can treat thermal conduction and thermal radiation, respectively. Unfortunately, thermal convection has seldom been touched in transformation theories due to the lack of a suitable theory, thus limiting applications associated with heat transfer through fluids (liquid or gas). Here, we develop a theory of transformation thermal convection by considering the convection-diffusion equation, the equation of continuity, and the Darcy law. By introducing porous media, we get a set of equations keeping their forms under coordinate transformation. As model applications, the theory helps to show the effects of cloaking, concentrating, and camouflage. Our finite-element simulations confirm the theoretical findings. This work offers a transformation theory for thermal convection, thus revealing novel behaviors associated with potential applications; it not only provides different hints on how to control heat transfer by combining thermal conduction, thermal convection, and thermal radiation, but also benefits mass diffusion and other related fields that contain a set of equations and need to transform velocities at the same time.

Observations on the ponderomotive force

NASA Astrophysics Data System (ADS)

Burton, D. A.; Cairns, R. A.; Ersfeld, B.; Noble, A.; Yoffe, S.; Jaroszynski, D. A.

2017-05-01

The ponderomotive force is an important concept in plasma physics and, in particular, plays an important role in many aspects of the theory of laser plasma interactions including current concerns like wakefield acceleration and Raman amplification. The most familiar form of this gives a force on a charged particle that is proportional to the slowly varying gradient of the intensity of a high frequency electromagnetic field and directed down the intensity gradiant. For a field amplitude simply oscillating in time there is a simple derivation of this formula, but in the more general case of a travelling wave the problem is more difficult. Over the years there has been much work on this using Hamiltonian or Lagrangian averaging techniques, but little or no investigation of how well these theories work. Here we look at the very basic problem of a particle entering a region with a monotonically increasing electrostatic field amplitude and being reflected. We show that the equation of motion derived from a widely quoted ponderomotive potential only agrees with the numerically computed orbit within a restricted parameter range and that outside this range it shows features which are inconsistent with any ponderomotive potential quadratic in the field amplitude. Since the ponderomotive force plays a fundamental role in a variety of problems in plasma physics we think that it is important to point out that even in the simplest of configurations standard theories may not be accurate.

Epigenetic battle of the sexes. Comment on: ;Epigenetic game theory: How to compute the epigenetic control of maternal-to-zygotic transition; by Qian Wang et al.

NASA Astrophysics Data System (ADS)

Wu, Song

2017-03-01

Qian Wang et al. present an interesting framework, named epigenetic game theory, for modeling sex-based epigenetic dynamics during embryogenesis from a new viewpoint of evolutionary game theory [1]. That is, epigenomes of sperms and oocytes may coordinate through either cooperation or competition, or both, to affect the fitness of embryos. The work uses a set of ordinary differential equations (ODEs) to describe longitudinal trajectories of DNA methylation levels in both parental and maternal gametes and their dependence on each other. The insights gained from this review, i.e. dynamic methylation profiles and their interaction are potentially important to many fields, such as biomedicine and agriculture.

New Institutional Theory and a Culture of Safety in Agriculture.

PubMed

Janssen, Brandi; Nonnenmann, Matthew W

2017-01-01

Health and safety professionals often call for an improved safety culture in agriculture. Such a shift would result in agricultural practices that prioritize safe work habits and see safety as both an effective means to improve production and a goal worth pursuing in its own right. This article takes an anthropological approach and demonstrates the potential for new institutional theory to conceptualize broader cultural change in agriculture. New institutional theory examines the roles of organizations and the ways that they inform and support broad social institutions. Using preliminary data from the agricultural lending industry in Iowa and integrated poultry production in Texas, this article considers the ability of these organizations to contribute to systemic change and an improved culture of safety in agriculture.

Two-dimensional collective electron magnetotransport, oscillations, and chaos in a semiconductor superlattice

NASA Astrophysics Data System (ADS)

Bonilla, L. L.; Carretero, M.; Segura, A.

2017-12-01

When quantized, traces of classically chaotic single-particle systems include eigenvalue statistics and scars in eigenfuntions. Since 2001, many theoretical and experimental works have argued that classically chaotic single-electron dynamics influences and controls collective electron transport. For transport in semiconductor superlattices under tilted magnetic and electric fields, these theories rely on a reduction to a one-dimensional self-consistent drift model. A two-dimensional theory based on self-consistent Boltzmann transport does not support that single-electron chaos influences collective transport. This theory agrees with existing experimental evidence of current self-oscillations, predicts spontaneous collective chaos via a period doubling scenario, and could be tested unambiguously by measuring the electric potential inside the superlattice under a tilted magnetic field.

Segmented assimilation theory and the life model: an integrated approach to understanding immigrants and their children.

PubMed

Piedra, Lissette M; Engstrom, David W

2009-07-01

The life model offers social workers a promising framework to use in assisting immigrant families. However, the complexities of adaptation to a new country may make it difficult for social workers to operate from a purely ecological approach. The authors use segmented assimilation theory to better account for the specificities of the immigrant experience. They argue that by adding concepts from segmented assimilation theory to the life model, social workers can better understand the environmental stressors that increase the vulnerabilities of immigrants to the potentially harsh experience of adapting to a new country. With these concepts, social workers who work with immigrant families will be better positioned to achieve their central goal: enhancing person and environment fit.

New Institutional Theory and a Culture of Safety in Agriculture

PubMed Central

Janssen, Brandi; Nonnenmann, Matthew W.

2017-01-01

Health and safety professionals often call for an improved safety culture in agriculture. Such a shift would result in agricultural practices that prioritize safe work habits and see safety as both an effective means to improve production and a goal worth pursuing in its own right. This article takes an anthropological approach and demonstrates the potential for new institutional theory to conceptualize broader cultural change in agriculture. New institutional theory examines the roles of organizations and the ways that they inform and support broad social institutions. Using preliminary data from the agricultural lending industry in Iowa and integrated poultry production in Texas, this article considers the ability of these organizations to contribute to systemic change and an improved culture of safety in agriculture. PMID:27754778

Seniority Number in Valence Bond Theory.

PubMed

Chen, Zhenhua; Zhou, Chen; Wu, Wei

2015-09-08

In this work, a hierarchy of valence bond (VB) methods based on the concept of seniority number, defined as the number of singly occupied orbitals in a determinant or an orbital configuration, is proposed and applied to the studies of the potential energy curves (PECs) of H8, N2, and C2 molecules. It is found that the seniority-based VB expansion converges more rapidly toward the full configuration interaction (FCI) or complete active space self-consistent field (CASSCF) limit and produces more accurate PECs with smaller nonparallelity errors than its molecular orbital (MO) theory-based analogue. Test results reveal that the nonorthogonal orbital-based VB theory provides a reverse but more efficient way to truncate the complete active Hilbert space by seniority numbers.

Two-dimensional collective electron magnetotransport, oscillations, and chaos in a semiconductor superlattice.

PubMed

Bonilla, L L; Carretero, M; Segura, A

2017-12-01

When quantized, traces of classically chaotic single-particle systems include eigenvalue statistics and scars in eigenfuntions. Since 2001, many theoretical and experimental works have argued that classically chaotic single-electron dynamics influences and controls collective electron transport. For transport in semiconductor superlattices under tilted magnetic and electric fields, these theories rely on a reduction to a one-dimensional self-consistent drift model. A two-dimensional theory based on self-consistent Boltzmann transport does not support that single-electron chaos influences collective transport. This theory agrees with existing experimental evidence of current self-oscillations, predicts spontaneous collective chaos via a period doubling scenario, and could be tested unambiguously by measuring the electric potential inside the superlattice under a tilted magnetic field.

Social networking for nurse education: Possibilities, perils and pitfalls.

PubMed

Green, Janet; Wyllie, Aileen; Jackson, Debra

2014-01-01

Abstract In this paper, we consider the potential and implications of using social networking sites such as Facebook® in nurse education. The concept of social networking and the use of Facebook will be explored, as will the theoretical constructs specific to the use of online technology and Web 2.0 tools. Theories around Communities of Inquiry (Garrison, Anderson, & Archer, 2000), Communities of Practice (Wenger, 1998), Activity Theory (Daniels, Cole, & Wertsch, 2007) and Actor-Network theory (Latour, 1997) will be briefly explored, as will the work of Vygotsky (1978), as applies to the social aspects of learning. Boundary issues, such as if and how faculty and students should or could be connected via social networking sites will also be explored.

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

Lindgren, Ingvar; Salomonson, Sten

The locality theorem in density-functional theory (DFT) states that the functional derivative of the Hohenberg-Kohn universal functional can be expressed as a local multiplicative potential function, and this is the basis of DFT and of the successful Kohn-Sham model. Nesbet has in several papers [Phys. Rev. A 58, R12 (1998); ibid.65, 010502 (2001); Adv. Quant. Chem, 43, 1 (2003)] claimed that this theorem is in conflict with fundamental quantum physics, and as a consequence that the Hohenberg-Kohn theory cannot be generally valid. We have commented upon these works [Comment, Phys. Rev. A 67, 056501 (2003)] and recently extended the argumentsmore » [Adv. Quantum Chem. 43, 95 (2003)]. We have shown that there is no such conflict and that the locality theorem is inherently exact. In the present work we have furthermore verified this numerically by constructing a local Kohn-Sham potential for the 1s2s{sup 3}S state of helium that generates the many-body electron density and shown that the corresponding 2s Kohn-Sham orbital eigenvalue agrees with the ionization energy to nine digits. Similar result is obtained with the Hartree-Fock density. Therefore, in addition to verifying the locality theorem, this result also confirms the so-called ionization-potential theorem.« less

Computational Implementation of a Thermodynamically Based Work Potential Model For Progressive Microdamage and Transverse Cracking in Fiber-Reinforced Laminates

NASA Technical Reports Server (NTRS)

Pineda, Evan J.; Waas, Anthony M.; Bednarcyk, Brett A.; Collier, Craig S.

2012-01-01

A continuum-level, dual internal state variable, thermodynamically based, work potential model, Schapery Theory, is used capture the effects of two matrix damage mechanisms in a fiber-reinforced laminated composite: microdamage and transverse cracking. Matrix microdamage accrues primarily in the form of shear microcracks between the fibers of the composite. Whereas, larger transverse matrix cracks typically span the thickness of a lamina and run parallel to the fibers. Schapery Theory uses the energy potential required to advance structural changes, associated with the damage mechanisms, to govern damage growth through a set of internal state variables. These state variables are used to quantify the stiffness degradation resulting from damage growth. The transverse and shear stiffness of the lamina are related to the internal state variables through a set of measurable damage functions. Additionally, the damage variables for a given strain state can be calculated from a set of evolution equations. These evolution equations and damage functions are implemented into the finite element method and used to govern the constitutive response of the material points in the model. Additionally, an axial failure criterion is included in the model. The response of a center-notched, buffer strip-stiffened panel subjected to uniaxial tension is investigated and results are compared to experiment.

Nanoscale Mechanism of Composite Reinforcement by Fibers and Filler, Theoretical Computation and Experimental Validation of the Theory Using Rubber/Short Carbon Fiber Compounds

DTIC Science & Technology

2005-06-24

for an adhesion-active surface. 2.8.2 Dupre’s equation Let adhesive interaction between two bodies take place. Dupre’s equation defines the...connection between work of external forces on system of two bodies with adhesive interaction contact, the potential energies these bodies and the energy...Lagrangian of system of two bodies with adhesion interaction is equal half of work of external forces enclosed to this system” With the help of

Axial p-n-junctions in nanowires.

PubMed

Fernandes, C; Shik, A; Byrne, K; Lynall, D; Blumin, M; Saveliev, I; Ruda, H E

2015-02-27

The charge distribution and potential profile of p-n-junctions in thin semiconductor nanowires (NWs) were analyzed. The characteristics of screening in one-dimensional systems result in a specific profile with large electric field at the boundary between the n- and p- regions, and long tails with a logarithmic drop in the potential and charge density. As a result of these tails, the junction properties depend sensitively on the geometry of external contacts and its capacity has an anomalously large value and frequency dispersion. In the presence of an external voltage, electrons and holes in the NWs can not be described by constant quasi-Fermi levels, due to small values of the average electric field, mobility, and lifetime of carriers. Thus, instead of the classical Sah-Noice-Shockley theory, the junction current-voltage characteristic was described by an alternative theory suitable for fast generation-recombination and slow diffusion-drift processes. For the non-uniform electric field in the junction, this theory predicts the forward branch of the characteristic to have a non-ideality factor η several times larger than the values 1 < η < 2 from classical theory. Such values of η have been experimentally observed by a number of researchers, as well as in the present work.

Perpetual extraction of work from a nonequilibrium dynamical system under Markovian feedback control

NASA Astrophysics Data System (ADS)

Kosugi, Taichi

2013-09-01

By treating both control parameters and dynamical variables as probabilistic variables, we develop a succinct theory of perpetual extraction of work from a generic classical nonequilibrium system subject to a heat bath via repeated measurements under a Markovian feedback control. It is demonstrated that a problem for perpetual extraction of work in a nonequilibrium system is reduced to a problem of Markov chain in the higher-dimensional phase space. We derive a version of the detailed fluctuation theorem, which was originally derived for classical nonequilibrium systems by Horowitz and Vaikuntanathan [Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.82.061120 82, 061120 (2010)], in a form suitable for the analyses of perpetual extraction of work. Since our theory is formulated for generic dynamics of probability distribution function in phase space, its application to a physical system is straightforward. As simple applications of the theory, two exactly solvable models are analyzed. The one is a nonequilibrium two-state system and the other is a particle confined to a one-dimensional harmonic potential in thermal equilibrium. For the former example, it is demonstrated that the observer on the transitory steps to the stationary state can lose energy and that work larger than that achieved in the stationary state can be extracted. For the latter example, it is demonstrated that the optimal protocol for the extraction of work via repeated measurements can differ from that via a single measurement. The validity of our version of the detailed fluctuation theorem, which determines the upper bound of the expected work in the stationary state, is also confirmed for both examples. These observations provide useful insights into exploration for realistic modeling of a machine that extracts work from its environment.

Flux compactification of M-theory on compact manifolds with spin(7) holonomy

NASA Astrophysics Data System (ADS)

Constantin, Dragos Eugeniu

2005-11-01

At the leading order, M-theory admits minimal supersymmetric compactifications if the internal manifold has exceptional holonomy. The inclusion of non-vanishing fluxes in M-theory and string theory compactifications induce a superpotential in the lower dimensional theory, which depends on the fluxes. In this work, we check the conjectured form of this superpotential in the case of warped M-theory compactifications on Spin (7) holonomy manifolds. We perform a Kaluza-Klein reduction of the eleven-dimensional supersymmetry transformation for the gravitino and we find by direct comparison the superpotential expression. We check the conjecture for the heterotic string compactified on a Calabi-Yau three-fold as well. The conjecture can be checked indirectly by inspecting the scalar potential obtained after the compactification of M-theory on Spin (7) holonomy manifolds with non-vanishing fluxes. The scalar potential can be written in terms of the superpotential and we show that this potential stabilizes all the moduli fields describing deformations of the metric except for the radial modulus. All the above analyses require the knowledge of the minimal supergravity action in three dimensions. Therefore we calculate the most general causal N = 1 three-dimensional, gauge invariant action coupled to matter in superspace and derive its component form using Ectoplasmic integration theory. We also show that the three-dimensional theory which results from the compactification is in agreement with the more general supergravity construction. The compactification procedure takes into account higher order quantum correction terms in the low energy effective action. We analyze the properties of these terms on a Spin (7) background. We derive a perturbative set of solutions which emerges from a warped compactification on a Spin (7) holonomy manifold with non-vanishing flux for the M-theory field strength and we show that in general the Ricci flatness of the internal manifold is lost, which means that the supergravity vacua are deformed away from the exceptional holonomy. Using the superpotential form we identify the supersymmetric vacua out of this general set of solutions.

Facilitating progress in health behaviour theory development and modification: the reasoned action approach as a case study.

PubMed

Head, Katharine J; Noar, Seth M

2014-01-01

This paper explores the question: what are barriers to health behaviour theory development and modification, and what potential solutions can be proposed? Using the reasoned action approach (RAA) as a case study, four areas of theory development were examined: (1) the theoretical domain of a theory; (2) tension between generalisability and utility, (3) criteria for adding/removing variables in a theory, and (4) organisational tracking of theoretical developments and formal changes to theory. Based on a discussion of these four issues, recommendations for theory development are presented, including: (1) the theoretical domain for theories such as RAA should be clarified; (2) when there is tension between generalisability and utility, utility should be given preference given the applied nature of the health behaviour field; (3) variables should be formally removed/amended/added to a theory based on their performance across multiple studies and (4) organisations and researchers with a stake in particular health areas may be best suited for tracking the literature on behaviour-specific theories and making refinements to theory, based on a consensus approach. Overall, enhancing research in this area can provide important insights for more accurately understanding health behaviours and thus producing work that leads to more effective health behaviour change interventions.

Foundations of modeling in cryobiology-I: concentration, Gibbs energy, and chemical potential relationships.

PubMed

Anderson, Daniel M; Benson, James D; Kearsley, Anthony J

2014-12-01

Mathematical modeling plays an enormously important role in understanding the behavior of cells, tissues, and organs undergoing cryopreservation. Uses of these models range from explanation of phenomena, exploration of potential theories of damage or success, development of equipment, and refinement of optimal cryopreservation/cryoablation strategies. Over the last half century there has been a considerable amount of work in bio-heat and mass-transport, and these models and theories have been readily and repeatedly applied to cryobiology with much success. However, there are significant gaps between experimental and theoretical results that suggest missing links in models. One source for these potential gaps is that cryobiology is at the intersection of several very challenging aspects of transport theory: it couples multi-component, moving boundary, multiphase solutions that interact through a semipermeable elastic membrane with multicomponent solutions in a second time-varying domain, during a two-hundred Kelvin temperature change with multi-molar concentration gradients and multi-atmosphere pressure changes. In order to better identify potential sources of error, and to point to future directions in modeling and experimental research, we present a three part series to build from first principles a theory of coupled heat and mass transport in cryobiological systems accounting for all of these effects. The hope of this series is that by presenting and justifying all steps, conclusions may be made about the importance of key assumptions, perhaps pointing to areas of future research or model development, but importantly, lending weight to standard simplification arguments that are often made in heat and mass transport. In this first part, we review concentration variable relationships, their impact on choices for Gibbs energy models, and their impact on chemical potentials. Copyright © 2014 Elsevier Inc. All rights reserved.

Nonthermal Quantum Channels as a Thermodynamical Resource.

PubMed

Navascués, Miguel; García-Pintos, Luis Pedro

2015-07-03

Quantum thermodynamics can be understood as a resource theory, whereby thermal states are free and the only allowed operations are unitary transformations commuting with the total Hamiltonian of the system. Previous literature on the subject has just focused on transformations between different state resources, overlooking the fact that quantum operations which do not commute with the total energy also constitute a potentially valuable resource. In this Letter, given a number of nonthermal quantum channels, we study the problem of how to integrate them in a thermal engine so as to distill a maximum amount of work. We find that, in the limit of asymptotically many uses of each channel, the distillable work is an additive function of the considered channels, computable for both finite dimensional quantum operations and bosonic channels. We apply our results to bound the amount of distillable work due to the natural nonthermal processes postulated in the Ghirardi-Rimini-Weber (GRW) collapse model. We find that, although GRW theory predicts the possibility of extracting work from the vacuum at no cost, the power which a collapse engine could, in principle, generate is extremely low.

Nonthermal Quantum Channels as a Thermodynamical Resource

NASA Astrophysics Data System (ADS)

Navascués, Miguel; García-Pintos, Luis Pedro

2015-07-01

Quantum thermodynamics can be understood as a resource theory, whereby thermal states are free and the only allowed operations are unitary transformations commuting with the total Hamiltonian of the system. Previous literature on the subject has just focused on transformations between different state resources, overlooking the fact that quantum operations which do not commute with the total energy also constitute a potentially valuable resource. In this Letter, given a number of nonthermal quantum channels, we study the problem of how to integrate them in a thermal engine so as to distill a maximum amount of work. We find that, in the limit of asymptotically many uses of each channel, the distillable work is an additive function of the considered channels, computable for both finite dimensional quantum operations and bosonic channels. We apply our results to bound the amount of distillable work due to the natural nonthermal processes postulated in the Ghirardi-Rimini-Weber (GRW) collapse model. We find that, although GRW theory predicts the possibility of extracting work from the vacuum at no cost, the power which a collapse engine could, in principle, generate is extremely low.

Generalized Galilean transformations and the measurement problem in the entropic dynamics approach to quantum theory

NASA Astrophysics Data System (ADS)

Johnson, David T.

Quantum mechanics is an extremely successful and accurate physical theory, yet since its inception, it has been afflicted with numerous conceptual difficulties. The primary subject of this thesis is the theory of entropic quantum dynamics (EQD), which seeks to avoid these conceptual problems by interpreting quantum theory from an informational perspective. We begin by reviewing Cox's work in describing probability theory as a means of rationally and consistently quantifying uncertainties. We then discuss how probabilities can be updated according to either Bayes' theorem or the extended method of maximum entropy (ME). After that discussion, we review the work of Caticha and Giffin that shows that Bayes' theorem is a special case of ME. This important result demonstrates that the ME method is the general method for updating probabilities. We then review some motivating difficulties in quantum mechanics before discussing Caticha's work in deriving quantum theory from the approach of entropic dynamics, which concludes our review. After entropic dynamics is introduced, we develop the concepts of symmetries and transformations from an informational perspective. The primary result is the formulation of a symmetry condition that any transformation must satisfy in order to qualify as a symmetry in EQD. We then proceed to apply this condition to the extended Galilean transformation. This transformation is of interest as it exhibits features of both special and general relativity. The transformation yields a gravitational potential that arises from an equivalence of information. We conclude the thesis with a discussion of the measurement problem in quantum mechanics. We discuss the difficulties that arise in the standard quantum mechanical approach to measurement before developing our theory of entropic measurement. In entropic dynamics, position is the only observable. We show how a theory built on this one observable can account for the multitude of measurements present in quantum theory. Furthermore, we show that the Born rule need not be postulated, but can be derived in EQD. Finally, we show how the wave function can be updated by the ME method as the phase is constructed purely in terms of probabilities.

Emotion and decision making.

PubMed

Lerner, Jennifer S; Li, Ye; Valdesolo, Piercarlo; Kassam, Karim S

2015-01-03

A revolution in the science of emotion has emerged in recent decades, with the potential to create a paradigm shift in decision theories. The research reveals that emotions constitute potent, pervasive, predictable, sometimes harmful and sometimes beneficial drivers of decision making. Across different domains, important regularities appear in the mechanisms through which emotions influence judgments and choices. We organize and analyze what has been learned from the past 35 years of work on emotion and decision making. In so doing, we propose the emotion-imbued choice model, which accounts for inputs from traditional rational choice theory and from newer emotion research, synthesizing scientific models.

Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space.

PubMed

Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko; Rubio, Angel

2015-12-15

The density-functional approach to quantum electrodynamics extends traditional density-functional theory and opens the possibility to describe electron-photon interactions in terms of effective Kohn-Sham potentials. In this work, we numerically construct the exact electron-photon Kohn-Sham potentials for a prototype system that consists of a trapped electron coupled to a quantized electromagnetic mode in an optical high-Q cavity. Although the effective current that acts on the photons is known explicitly, the exact effective potential that describes the forces exerted by the photons on the electrons is obtained from a fixed-point inversion scheme. This procedure allows us to uncover important beyond-mean-field features of the effective potential that mark the breakdown of classical light-matter interactions. We observe peak and step structures in the effective potentials, which can be attributed solely to the quantum nature of light; i.e., they are real-space signatures of the photons. Our findings show how the ubiquitous dipole interaction with a classical electromagnetic field has to be modified in real space to take the quantum nature of the electromagnetic field fully into account.

Pargament's Theory of Religious Coping: Implications for Spiritually Sensitive Social Work Practice

PubMed Central

Xu, Jianbin

2016-01-01

This article proposes that Pargament's theory of religious coping can be a theoretical beacon to spiritually sensitive social work practice. It begins with a discussion of the raison d'être of spiritually sensitive social work, which is examined as being able to cast a holistic and positive glow on social work. Then it provides an overview and a critique of Pargament's theory, emphasising that the theory offers a fuller and more impartial picture of religious coping. In addition, it explores the implications of Pargament's theory for spiritually sensitive social work practice with religious clients in terms of engagement, assessment and intervention. This article concludes by discussing how social work practitioners can avoid the pitfalls and limitations of Pargament's theory. PMID:27559234

Implications of contamination and surface area ratios for Langmuir probe diagnostics on CubeSats

NASA Astrophysics Data System (ADS)

Suresh, P.; Swenson, C.

2009-12-01

Theories describing the current collected by a biased probe under various conditions are necessary for such observation to be used to accurately determine plasma properties. Langmuir probes are routinely used on spacecraft to measure plasma parameters such as density, temperature, and vehicle charging. The collected current is a function of the potential between the surrounding plasma and probe surface. There have been both observations of and concepts for unaccounted variations of this potential which limit the application of Langmuir probe theory for determining plasma properties. These variations occur due to spatial variations of the work function across the probe surface due to non-uniformity of the crystalline surface properties and surface contamination of the probe. Currently we do not have theoretical expressions which consider these factors as first principles in their derivation. In the event of these surface potential variations, the analysis of the plasma using the currently available theories of the Langmuir probe yield erroneous results. We present a theory which models the current as a function of the surface potential variations. Another consideration for Langmuir probes on CubeSats is the ratio of the probe area to the return current collection area. If the area ratio is unfavorable this can also lead to erroneous results in the interpretation of observations. A mathematical formulation of the current collected by the probe for contaminated surfaces is presented and compared with data from a Langmuir probe flown on a sounding rocket mission. The implications of using Langmuir probes on CubeSats given the engineering limitations of probe cleanliness and area ratios are reviewed.

Geostatistics and petroleum geology

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

Hohn, M.E.

1988-01-01

The book reviewed is designed as a practical guide to geostatistics or kriging for the petroleum geologists. The author's aim in the book is to explain geostatistics as a working tool for petroleum geologists through extensive use of case-study material mostly drawn from his own research in gas potential evaluation in West Virginia. Theory and mathematics are pared down to immediate needs.

"I Love My Work, but This Is Not My Life": Women of Color in the Academy

ERIC Educational Resources Information Center

Mena, Jasmine A.

2016-01-01

The present study used critical ethnography and intersectionality theory to better understand the experiences of Women of Color (WOC) in the academy. WOC experience numerous and significant challenges in the academy that have the potential to stifle their career growth. Claiming increased acceptance and diversity in the academy without a…

Integrating Behavioral-Motive and Experiential-Requirement Perspectives on Psychological Needs: A Two Process Model

ERIC Educational Resources Information Center

Sheldon, Kennon M.

2011-01-01

Psychological need theories offer much explanatory potential for behavioral scientists, but there is considerable disagreement and confusion about what needs are and how they work. A 2-process model of psychological needs is outlined, viewing needs as evolved functional systems that provide both (a) innate psychosocial motives that tend to impel…

Reading between the Lines: Exploring Methods for Analysing Professional Examiner Feedback Discourse

ERIC Educational Resources Information Center

Johnson, Martin

2017-01-01

This paper uses the remote interactions of professional examiners working for a UK-based awarding body as a vehicle for discussing the benefits of the use of different methods for analysing such discourse. Communication is an area of interest for sociocultural theory because it can potentiate cognitive shifts in participants and affords learning.…

When Does Service-Learning Work? Contact Theory and Service-Learning Courses in Higher Education

ERIC Educational Resources Information Center

Conner, Jerusha; Erickson, Joseph

2017-01-01

Service-learning experiences have the potential to improve participants' attitudes and values toward those whom they serve, but if the experience is poorly designed or poorly implemented, it runs the risk of reinforcing stereotypes and deficit perspectives of the intended beneficiaries of service. This study examines the extent to which Contact…

Using Insider Research in MEd Final Projects to Bridge the Theory/Practice Gap

ERIC Educational Resources Information Center

Arar, Khalid

2018-01-01

This paper aims to identify key issues involved in MEd final project supervision and to highlight the potential of supervision from an academic institution to change educational reality through the postgraduate student-teachers' work-based final project as insider researchers in Israeli schools. It draws on analysis of case-study data from two…

"I Saw the Madre": Evaluating Predictions about Codeswitched Determiner-Noun Sequences Using Spanish-English and Welsh-English Data

ERIC Educational Resources Information Center

Herring, Jon Russell; Deuchar, Margaret; Couto, M. Carmen Parafita; Quintanilla, Monica Moro

2010-01-01

Previous work on intrasentential codeswitching has noted that switches between determiners and their noun complements are frequent in both Spanish-English and Welsh-English data. Two major recent theories of codeswitching, the Matrix Language Frame model and a Minimalist Program approach, make potentially competing predictions regarding the source…

Mathematical developments regarding the general theory of the Earth magnetism

NASA Technical Reports Server (NTRS)

Schmidt, A.

1983-01-01

A literature survey on the Earth's magnetic field, citing the works of Gauss, Erman-Petersen, Quintus Icilius and Neumayer is presented. The general formulas for the representation of the potential and components of the Earth's magnetic force are presented. An analytical representation of magnetic condition of the Earth based on observations is also made.

Theory of mind in Alzheimer disease: Evidence of authentic impairment during social interaction.

PubMed

Moreau, Noémie; Rauzy, Stéphane; Viallet, François; Champagne-Lavau, Maud

2016-03-01

The present study aimed to investigate theory of mind (the ability to infer others' mental states) deficit in 20 patients with mild Alzheimer's disease and 20 healthy controls, with 2 theory of mind tasks, 1 of them being a real interactive task. Previous results concerning preserved or altered theory of mind abilities in Alzheimer's disease have been inconsistent and relationships with other cognitive dysfunctions (notably episodic memory and executive functions) are still unclear. The first task we used was a false belief paradigm as frequently used in literature whereas the second task, a referential communication task, assessed theory of mind in a real situation of interaction. Participants also underwent neuropsychological evaluation to investigate potential relationships between theory of mind and memory deficits. The results showed that Alzheimer patients presented a genuine and significant theory of mind deficit compared to control participants characterized notably by difficulties to attribute knowledge to an interlocutor in a real social interaction. These results further confirm that theory of mind is altered in early stages of Alzheimer dementia which is consistent with previous works. More specifically, this study is the first to objectivize this impairment in social interaction. (c) 2016 APA, all rights reserved).

The thermoregulatory theory of yawning: what we know from over 5 years of research

PubMed Central

Gallup, Andrew C.; Eldakar, Omar T.

2012-01-01

Over the past 5 years numerous reports have confirmed and replicated the specific brain cooling and thermal window predictions derived from the thermoregulatory theory of yawning, and no study has found evidence contrary to these findings. Here we review the comparative research supporting this model of yawning among homeotherms, while highlighting a recent report showing how the expression of contagious yawning in humans is altered by seasonal climate variation. The fact that yawning is constrained to a thermal window of ambient temperature provides unique and compelling support in favor of this theory. Heretofore, no existing alternative hypothesis of yawning can explain these results, which have important implications for understanding the potential functional role of this behavior, both physiologically and socially, in humans and other animals. In discussion we stress the broader applications of this work in clinical settings, and counter the various criticisms of this theory. PMID:23293583

Influence of air and water temperature on fill characteristics curve

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

Lefevre, M.R.

1985-01-01

In a previous paper, the author discussed approximations of the Merkel Theory, as well as other approximations included in the CTI recommended method of calculation of the Demand curves. The paper concluded that the familiar difference of enthalpies, used as a cooling potential, which is the Merkel Theory, could continue to be used by simply adding a corrective multiplying factor derived from a direct comparison of the exact theory and the Merkel Theory. At the end of the paper the author briefly showed that the corrections to the Demand curve was only one part of the picture and that theremore » was also an influence of the temperatures of the Characteristic curve side. The object of this paper is to now review the influence of the air and water temperature on the Characteristic curve. This completes the work presented last year.« less

Continuum Mean-Field Theories for Molecular Fluids, and Their Validity at the Nanoscale

NASA Astrophysics Data System (ADS)

Hanna, C. B.; Peyronel, F.; MacDougall, C.; Marangoni, A.; Pink, D. A.; AFMNet-NCE Collaboration

2011-03-01

We present a calculation of the physical properties of solid triglyceride particles dispersed in an oil phase, using atomic- scale molecular dynamics. Significant equilibrium density oscillations in the oil appear when the interparticle distance, d , becomes sufficiently small, with a global minimum in the free energy found at d ~ 1.4 nm. We compare the simulation values of the Hamaker coefficient with those of models which assume that the oil is a homogeneous continuum: (i) Lifshitz theory, (ii) the Fractal Model, and (iii) a Lennard-Jones 6-12 potential model. The last-named yields a minimum in the free energy at d ~ 0.26 nm. We conclude that, at the nanoscale, continuum Lifshitz theory and other continuum mean-field theories based on the assumption of homogeneous fluid density can lead to erroneous conclusions. CBH supported by NSF DMR-0906618. DAP supported by NSERC. This work supported by AFMNet-NCE.

Problems in particle theory. Technical report - 1993--1994

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

Adler, S.L.; Wilczek, F.

This report is a progress report on the work of two principal investigators in the broad area of particle physics theory, covering their personal work, that of their coworkers, and their proposed work for the future. One author has worked in the past on various topics in field theory and particle physics, among them current algebras, the physics of neutrino induced reactions, quantum electrodynamics (including strong magnetic field processes), the theory of the axial-vector current anomaly, topics in quantum gravity, and nonlinear models for quark confinement. While much of his work has been analytical, all of the projects listed abovemore » (except for the work on gravity) had phases which required considerable computer work as well. Over the next several years, he proposes to continue or initiate research on the following problems: (1) Acceleration algorithms for the Monte Carlo analysis of lattice field and gauge theories, and more generally, new research in computational neuroscience and pattern recognition. (2) Construction of quaternionic generalizations of complex quantum mechanics and field theory, and their application to composite models of quarks and leptons, and to the problem of unifying quantum theories of matter with general relativity. One author has worked on problems in exotic quantum statistics and its applications to condensed matter systems. His work has also continued on the quantum theory of black holes. This has evolved toward understanding properties of quantum field theory and string theory in incomplete regions of flat space.« less

Interatomic potential to study plastic deformation in tungsten-rhenium alloys

NASA Astrophysics Data System (ADS)

Bonny, G.; Bakaev, A.; Terentyev, D.; Mastrikov, Yu. A.

2017-04-01

In this work, an interatomic potential for the W-Re system is fitted and benchmarked against experimental and density functional theory (DFT) data, of which part are generated in this work. Having in mind studies related to the plasticity of W-Re alloys under irradiation, emphasis is put on fitting point-defect properties, elastic constants, and dislocation properties. The developed potential can reproduce the mechanisms responsible for the experimentally observed softening, i.e., decreasing shear moduli, decreasing Peierls barrier, and asymmetric screw dislocation core structure with increasing Re content in W-Re solid solutions. In addition, the potential predicts elastic constants in reasonable agreement with DFT data for the phases forming non-coherent precipitates (σ- and χ-phases) in W-Re alloys. In addition, the mechanical stability of the different experimentally observed phases is verified in the temperature range of interest (700-1500 K). As a conclusion, the presented potential provides an excellent tool to study plasticity in W-Re alloys at the atomic level.

Theory of gas hydrates: effect of the approximation of rigid water lattice.

PubMed

Pimpalgaonkar, Hrushikesh; Veesam, Shivanand K; Punnathanam, Sudeep N

2011-08-25

One of the assumptions of the van der Waals and Platteeuw theory for gas hydrates is that the host water lattice is rigid and not distorted by the presence of guest molecules. In this work, we study the effect of this approximation on the triple-point lines of the gas hydrates. We calculate the triple-point lines of methane and ethane hydrates via Monte Carlo molecular simulations and compare the simulation results with the predictions of van der Waals and Platteeuw theory. Our study shows that even if the exact intermolecular potential between the guest molecules and water is known, the dissociation temperatures predicted by the theory are significantly higher. This has serious implications to the modeling of gas hydrate thermodynamics, and in spite of the several impressive efforts made toward obtaining an accurate description of intermolecular interactions in gas hydrates, the theory will suffer from the problem of robustness if the issue of movement of water molecules is not adequately addressed. © 2011 American Chemical Society

Molecular properties via a subsystem density functional theory formulation: a common framework for electronic embedding.

PubMed

Höfener, Sebastian; Gomes, André Severo Pereira; Visscher, Lucas

2012-01-28

In this article, we present a consistent derivation of a density functional theory (DFT) based embedding method which encompasses wave-function theory-in-DFT (WFT-in-DFT) and the DFT-based subsystem formulation of response theory (DFT-in-DFT) by Neugebauer [J. Neugebauer, J. Chem. Phys. 131, 084104 (2009)] as special cases. This formulation, which is based on the time-averaged quasi-energy formalism, makes use of the variation Lagrangian techniques to allow the use of non-variational (in particular: coupled cluster) wave-function-based methods. We show how, in the time-independent limit, we naturally obtain expressions for the ground-state DFT-in-DFT and WFT-in-DFT embedding via a local potential. We furthermore provide working equations for the special case in which coupled cluster theory is used to obtain the density and excitation energies of the active subsystem. A sample application is given to demonstrate the method. © 2012 American Institute of Physics

Quantum optical effective-medium theory and transformation quantum optics for metamaterials

NASA Astrophysics Data System (ADS)

Wubs, Martijn; Amooghorban, Ehsan; Zhang, Jingjing; Mortensen, N. Asger

2016-09-01

While typically designed to manipulate classical light, metamaterials have many potential applications for quantum optics as well. We argue why a quantum optical effective-medium theory is needed. We present such a theory for layered metamaterials that is valid for light propagation in all spatial directions, thereby generalizing earlier work for one-dimensional propagation. In contrast to classical effective-medium theory there is an additional effective parameter that describes quantum noise. Our results for metamaterials are based on a rather general Lagrangian theory for the quantum electrodynamics of media with both loss and gain. In the second part of this paper, we present a new application of transformation optics whereby local spontaneous-emission rates of quantum emitters can be designed. This follows from an analysis how electromagnetic Green functions trans- form under coordinate transformations. Spontaneous-emission rates can be either enhanced or suppressed using invisibility cloaks or gradient index lenses. Furthermore, the anisotropic material profile of the cloak enables the directional control of spontaneous emission.

Modified free volume theory of self-diffusion and molecular theory of shear viscosity of liquid carbon dioxide.

PubMed

Nasrabad, Afshin Eskandari; Laghaei, Rozita; Eu, Byung Chan

2005-04-28

In previous work on the density fluctuation theory of transport coefficients of liquids, it was necessary to use empirical self-diffusion coefficients to calculate the transport coefficients (e.g., shear viscosity of carbon dioxide). In this work, the necessity of empirical input of the self-diffusion coefficients in the calculation of shear viscosity is removed, and the theory is thus made a self-contained molecular theory of transport coefficients of liquids, albeit it contains an empirical parameter in the subcritical regime. The required self-diffusion coefficients of liquid carbon dioxide are calculated by using the modified free volume theory for which the generic van der Waals equation of state and Monte Carlo simulations are combined to accurately compute the mean free volume by means of statistical mechanics. They have been computed as a function of density along four different isotherms and isobars. A Lennard-Jones site-site interaction potential was used to model the molecular carbon dioxide interaction. The density and temperature dependence of the theoretical self-diffusion coefficients are shown to be in excellent agreement with experimental data when the minimum critical free volume is identified with the molecular volume. The self-diffusion coefficients thus computed are then used to compute the density and temperature dependence of the shear viscosity of liquid carbon dioxide by employing the density fluctuation theory formula for shear viscosity as reported in an earlier paper (J. Chem. Phys. 2000, 112, 7118). The theoretical shear viscosity is shown to be robust and yields excellent density and temperature dependence for carbon dioxide. The pair correlation function appearing in the theory has been computed by Monte Carlo simulations.

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.

Computational design of surfaces, nanostructures and optoelectronic materials

NASA Astrophysics Data System (ADS)

Choudhary, Kamal

Properties of engineering materials are generally influenced by defects such as point defects (vacancies, interstitials, substitutional defects), line defects (dislocations), planar defects (grain boundaries, free surfaces/nanostructures, interfaces, stacking faults) and volume defects (voids). Classical physics based molecular dynamics and quantum physics based density functional theory can be useful in designing materials with controlled defect properties. In this thesis, empirical potential based molecular dynamics was used to study the surface modification of polymers due to energetic polyatomic ion, thermodynamics and mechanics of metal-ceramic interfaces and nanostructures, while density functional theory was used to screen substituents in optoelectronic materials. Firstly, polyatomic ion-beams were deposited on polymer surfaces and the resulting chemical modifications of the surface were examined. In particular, S, SC and SH were deposited on amorphous polystyrene (PS), and C2H, CH3, and C3H5 were deposited on amorphous poly (methyl methacrylate) (PMMA) using molecular dynamics simulations with classical reactive empirical many-body (REBO) potentials. The objective of this work was to elucidate the mechanisms by which the polymer surface modification took place. The results of the work could be used in tailoring the incident energy and/or constituents of ion beam for obtaining a particular chemistry inside the polymer surface. Secondly, a new Al-O-N empirical potential was developed within the charge optimized many body (COMB) formalism. This potential was then used to examine the thermodynamic stability of interfaces and mechanical properties of nanostructures composed of aluminum, its oxide and its nitride. The potentials were tested for these materials based on surface energies, defect energies, bulk phase stability, the mechanical properties of the most stable bulk phase, its phonon properties as well as with a genetic algorithm based evolution theory of the materials to ensure that no spurious phases had a lower cohesive energy. Thirdly, lanthanide doped and co-doped Y3Al5O 12 were examined using density functional theory (DFT) with semi-local and local functional. Theoretical results were compared and validated with experimental data and new co-doped materials with high efficiency were predicted. Finally, Transition element doped CH3NH3PbI3 were studied with DFT for validation of the model with experimental data and replacement materials for toxic Pb were predicted.

Local food environment interventions to improve healthy food choice in adults: a systematic review and realist synthesis protocol.

PubMed

Penney, Tarra L; Brown, Helen Elizabeth; Maguire, Eva R; Kuhn, Isla; Monsivais, Pablo

2015-05-03

Local food environments have been linked with dietary intake and obesity in adults. However, overall evidence remains mixed with calls for increased theoretical and conceptual clarity related to how availability of neighbourhood food outlets, and within-outlet food options, influence food purchasing and consumption. The purpose of this work is to develop a programme theory of food availability, supported by empirical evidence from a range of local food environment interventions. A systematic search of the literature will be followed by duplicate screening and quality assessment (using the Effective Public Health Practice Project tool). Realist synthesis will then be conducted according to the Realist And Meta-narrative Evidence Syntheses: Evolving Standards (RAMESES) publication standards, including transparent appraisal, synthesis and drawing conclusions via consensus. The final synthesis will propose an evidence-based programme theory of food availability, including evidence mapping to demonstrate contextual factors, pathways of influence and potential mechanisms. With the paucity of empirically supported programme theories used in current local food environment interventions to improve food availability, this synthesis may be used to understand how and why interventions work, and thus inform the development of theory-driven, evidence-based interventions to improve healthy food choice and future empirical work. PROSPERO CRD42014009808. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.

Prospect Theory for Online Financial Trading

PubMed Central

Martino, Mauro; Altshuler, Yaniv

2014-01-01

Prospect theory is widely viewed as the best available descriptive model of how people evaluate risk in experimental settings. According to prospect theory, people are typically risk-averse with respect to gains and risk-seeking with respect to losses, known as the “reflection effect”. People are much more sensitive to losses than to gains of the same magnitude, a phenomenon called “loss aversion”. Despite of the fact that prospect theory has been well developed in behavioral economics at the theoretical level, there exist very few large-scale empirical studies and most of the previous studies have been undertaken with micro-panel data. Here we analyze over 28.5 million trades made by 81.3 thousand traders of an online financial trading community over 28 months, aiming to explore the large-scale empirical aspect of prospect theory. By analyzing and comparing the behavior of winning and losing trades and traders, we find clear evidence of the reflection effect and the loss aversion phenomenon, which are essential in prospect theory. This work hence demonstrates an unprecedented large-scale empirical evidence of prospect theory, which has immediate implication in financial trading, e.g., developing new trading strategies by minimizing the impact of the reflection effect and the loss aversion phenomenon. Moreover, we introduce three novel behavioral metrics to differentiate winning and losing traders based on their historical trading behavior. This offers us potential opportunities to augment online social trading where traders are allowed to watch and follow the trading activities of others, by predicting potential winners based on their historical trading behavior. PMID:25330203

Prospect theory for online financial trading.

PubMed

Liu, Yang-Yu; Nacher, Jose C; Ochiai, Tomoshiro; Martino, Mauro; Altshuler, Yaniv

2014-01-01

Prospect theory is widely viewed as the best available descriptive model of how people evaluate risk in experimental settings. According to prospect theory, people are typically risk-averse with respect to gains and risk-seeking with respect to losses, known as the "reflection effect". People are much more sensitive to losses than to gains of the same magnitude, a phenomenon called "loss aversion". Despite of the fact that prospect theory has been well developed in behavioral economics at the theoretical level, there exist very few large-scale empirical studies and most of the previous studies have been undertaken with micro-panel data. Here we analyze over 28.5 million trades made by 81.3 thousand traders of an online financial trading community over 28 months, aiming to explore the large-scale empirical aspect of prospect theory. By analyzing and comparing the behavior of winning and losing trades and traders, we find clear evidence of the reflection effect and the loss aversion phenomenon, which are essential in prospect theory. This work hence demonstrates an unprecedented large-scale empirical evidence of prospect theory, which has immediate implication in financial trading, e.g., developing new trading strategies by minimizing the impact of the reflection effect and the loss aversion phenomenon. Moreover, we introduce three novel behavioral metrics to differentiate winning and losing traders based on their historical trading behavior. This offers us potential opportunities to augment online social trading where traders are allowed to watch and follow the trading activities of others, by predicting potential winners based on their historical trading behavior.

The psychology of primate cooperation and competition: a call for realigning research agendas

PubMed Central

Schmelz, Martin; Call, Josep

2016-01-01

Cooperation and competition are two key components of social life. Current research agendas investigating the psychological underpinnings of competition and cooperation in non-human primates are misaligned. The majority of work on competition has been done in the context of theory of mind and deception, while work on cooperation has mostly focused on collaboration and helping. The current impression that theory of mind is not necessarily implicated in cooperative activities and that helping could not be an integral part of competition might therefore be rather misleading. Furthermore, theory of mind research has mainly focused on cognitive aspects like the type of stimuli controlling responses, the nature of representation and how those representations are acquired, while collaboration and helping have focused primarily on motivational aspects like prosociality, common goals and a sense of justice and other-regarding concerns. We present the current state of these two bodies of research paying special attention to how they have developed and diverged over the years. We propose potential directions to realign the research agendas to investigate the psychological underpinnings of cooperation and competition in primates and other animals. PMID:26644603

Magnitude of parallel pseudo potential in a magnetosonic shock wave

NASA Astrophysics Data System (ADS)

Ohsawa, Yukiharu

2018-05-01

The parallel pseudo potential F, which is the integral of the parallel electric field along the magnetic field, in a large-amplitude magnetosonic pulse (shock wave) is theoretically studied. Particle simulations revealed in the late 1990's that the product of the elementary charge and F can be much larger than the electron temperature in shock waves, i.e., the parallel electric field can be quite strong. However, no theory was presented for this unexpected result. This paper first revisits the small-amplitude theory for F and then investigates the parallel pseudo potential F in large-amplitude pulses based on the two-fluid model with finite thermal pressures. It is found that the magnitude of F in a shock wave is determined by the wave amplitude, the electron temperature, and the kinetic energy of an ion moving with the Alfvén speed. This theoretically obtained expression for F is nearly identical to the empirical relation for F discovered in the previous simulation work.

Leader-Member Exchange across two hierarchical levels of leadership: concurrent influences on work characteristics and employee psychological health.

PubMed

Karanika-Murray, Maria; Bartholomew, Kimberley J; Williams, Glenn A; Cox, Tom

2015-01-02

Leader-Member Exchange (LMX) theory suggests that the quality of the leader-employee relationship is linked to employee psychological health. Leaders who reside at different hierarchical levels have unique roles and spheres of influence and potentially affect employees' work experiences in different ways. Nevertheless, research on the impact of leadership on employee psychological health has largely viewed leaders as a homogeneous group. Expanding on LMX theory, we argue that (1) LMX sourced at the levels of the line manager (LM) and senior management (SM) team will be differentially linked to employee psychological health (assessed as worn-out) and that (2) these relationships will be mediated by perceived work characteristics (reward and recognition, workload management, quality of relationships with colleagues and physical environment). Structural equation modelling on data from 337 manual workers partially supported the hypotheses. Perceptions of the physical environment mediated the relationship between LMX at the LM level and employee psychological health, whereas perceptions of workload management mediated the relationship between LMX at the SM level and psychological health. These findings corroborate arguments that leaders are not a uniform group and as such the effects of LMX on employees will depend on leadership hierarchy. Implications for expanding leadership theory are discussed.

Leader-Member Exchange across two hierarchical levels of leadership: concurrent influences on work characteristics and employee psychological health

PubMed Central

Karanika-Murray, Maria; Bartholomew, Kimberley J.; Williams, Glenn A.; Cox, Tom

2015-01-01

Leader-Member Exchange (LMX) theory suggests that the quality of the leader–employee relationship is linked to employee psychological health. Leaders who reside at different hierarchical levels have unique roles and spheres of influence and potentially affect employees' work experiences in different ways. Nevertheless, research on the impact of leadership on employee psychological health has largely viewed leaders as a homogeneous group. Expanding on LMX theory, we argue that (1) LMX sourced at the levels of the line manager (LM) and senior management (SM) team will be differentially linked to employee psychological health (assessed as worn-out) and that (2) these relationships will be mediated by perceived work characteristics (reward and recognition, workload management, quality of relationships with colleagues and physical environment). Structural equation modelling on data from 337 manual workers partially supported the hypotheses. Perceptions of the physical environment mediated the relationship between LMX at the LM level and employee psychological health, whereas perceptions of workload management mediated the relationship between LMX at the SM level and psychological health. These findings corroborate arguments that leaders are not a uniform group and as such the effects of LMX on employees will depend on leadership hierarchy. Implications for expanding leadership theory are discussed. PMID:25999635

Social Cognitive Career Theory, the Theory of Work Adjustment, and Work Satisfaction of Retirement-Age Adults

PubMed Central

Foley, Pamela F.; Lytle, Megan C.

2015-01-01

Despite a recent increase in the number of adults who work past traditional retirement age, existing theories of vocational behavior have not yet received adequate empirical support. In a large sample of adults age 60–87, we evaluated the relationship between theorized predictors of work satisfaction proposed by Social Cognitive Career Theory (SCCT), work satisfaction as a predictor of continued work, as proposed by the Theory of Work adjustment (TWA), as well as the influence of reported experiences of discrimination on these relationships. While the results supported most of the predicted relationships, the effects of discrimination were stronger than the variables proposed by either SCCT or TWA for the present sample. PMID:26101456

Ling's Adsorption Theory as a Mechanism of Membrane Potential Generation Observed in Both Living and Nonliving Systems.

PubMed

Tamagawa, Hirohisa; Funatani, Makoto; Ikeda, Kota

2016-01-26

The potential between two electrolytic solutions separated by a membrane impermeable to ions was measured and the generation mechanism of potential measured was investigated. From the physiological point of view, a nonzero membrane potential or action potential cannot be observed across the impermeable membrane. However, a nonzero membrane potential including action potential-like potential was clearly observed. Those observations gave rise to a doubt concerning the validity of currently accepted generation mechanism of membrane potential and action potential of cell. As an alternative theory, we found that the long-forgotten Ling's adsorption theory was the most plausible theory. Ling's adsorption theory suggests that the membrane potential and action potential of a living cell is due to the adsorption of mobile ions onto the adsorption site of cell, and this theory is applicable even to nonliving (or non-biological) system as well as living system. Through this paper, the authors emphasize that it is necessary to reconsider the validity of current membrane theory and also would like to urge the readers to pay keen attention to the Ling's adsorption theory which has for long years been forgotten in the history of physiology.

Team-based work and work system balance in the context of agile manufacturing.

PubMed

Yauch, Charlene A

2007-01-01

Manufacturing agility is the ability to prosper in an environment characterized by constant and unpredictable change. The purpose of this paper is to analyze team attributes necessary to facilitate agile manufacturing, and using Balance Theory as a framework, it evaluates the potential positive and negative impacts related to these team attributes that could alter the balance of work system elements and resulting "stress load" experienced by persons working on agile teams. Teams operating within the context of agile manufacturing are characterized as multifunctional, dynamic, cooperative, and virtual. A review of the literature relevant to each of these attributes is provided, as well as suggestions for future research.

Work Design Theory: A Review and Critique with Implications for Human Resource Development

ERIC Educational Resources Information Center

Torraco, Richard J.

2005-01-01

Six theoretical perspectives on work design are examined for their contributions to our understanding of how work is organized and designed in organizations: sociotechnical systems theory, process improvement, adaptive structuration theory, the job characteristics model, technostructural change models, and activity theory. A critique of these…

Women and Work-Life Balance: A Narrative Inquiry of Working Single Mothers Balancing Family and Work

ERIC Educational Resources Information Center

Stephens, Casheena A.

2017-01-01

The purpose of this study was to explore working single mothers' work-life balance in order to better understand how employers can assist them. Role theory, role conflict theory, and spillover theory were utilized to examine how working single mothers experience work-life balance and how they perceive it. In this study, the researcher sought to…

The motivation to care: application and extension of motivation theory to professional nursing work.

PubMed

Moody, Roseanne C; Pesut, Daniel J

2006-01-01

The purpose of this research is to describe a model of nurses' work motivation relevant to the human caring stance of professional nursing work. The model was derived from selected theories of behavioral motivation and work motivation. Evidence-based theory addressing nurses' work motivation and nurses' motivational states and traits in relation to characteristics of organizational culture and patient health outcomes is suggested in an effort to make a distinct contribution to health services research. An integrated review of selected theories of motivation is presented, including conceptual analyses, theory-building techniques, and the evidence supporting the theoretical propositions and linkages among variables intrinsic to nurses' work motivation. The model of the Motivation to Care for Professional Nursing Work is a framework intended for empirical testing and theory building. The model proposes specific leadership and management strategies to support a culture of motivational caring and competence in health care organizations. Attention to motivation theory and research provides insights and suggests relationships among nurses' motivation to care, motivational states and traits, individual differences that influence nurses' work motivation, and the special effects of nurses' work motivation on patient care outcomes. Suggestions for nursing administrative direction and research are proposed.

Cognitive continuum theory in interprofessional healthcare: A critical analysis.

PubMed

Parker-Tomlin, Michelle; Boschen, Mark; Morrissey, Shirley; Glendon, Ian

2017-07-01

Effective clinical decision making is among the most important skills required by healthcare practitioners. Making sound decisions while working collaboratively in interprofessional healthcare teams is essential for modern healthcare planning, successful interventions, and patient care. The cognitive continuum theory (CCT) is a model of human judgement and decision making aimed at orienting decision-making processes. CCT has the potential to improve both individual health practitioner, and interprofessional team understanding about, and communication of, clinical decision-making processes. Examination of the current application of CCT indicates that this theory could strengthen interprofessional team clinical decision making (CDM). However, further research is needed before extending the use of this theoretical framework to a wider range of interprofessional healthcare team processes. Implications for research, education, practice, and policy are addressed.

Transportation into narrative worlds: implications for entertainment media influences on tobacco use.

PubMed

Green, Melanie C; Clark, Jenna L

2013-03-01

A growing body of research suggests that smoking portrayals in movies influence adolescent tobacco use. However, the mechanism for this influence remains unclear. The aim of this paper is to provide an overview of research on narrative transportation theory, particularly as applied to movies and smoking. We propose that this theory can provide a valuable framework for guiding research on the role of entertainment media in smoking and other addictive behaviors. We review empirical work on transportation theory and highlight the psychological mechanisms underlying transportation effects. 'Transportation into narrative worlds' refers to cognitive, emotional and imagery engagement into a narrative (including movies and entertainment media). We link this work with research on the effects of movie smoking. Research suggests that individuals who are more highly transported into narratives show greater attitude, belief and behavior change. Transportation effects work through reducing counterarguing, creating connections (identification and liking) with characters and increasing perceptions of realism and emotional involvement. We propose several future directions and research challenges for applying a transportation framework to the issue of entertainment media effects on smoking and tobacco disparities. Understanding factors contributing to transportation may provide a more nuanced view of who will be affected by movie smoking, and understanding the psychological processes underlying narrative persuasion may guide intervention efforts. Narrative transportation theory suggests that individuals' cognitive, emotional and imagery immersion in a narrative is a key mechanism of attitude, belief and behavior change. This theory provides a potentially generative and psychologically grounded framework for increasing knowledge about the boundary conditions and processes underlying the effects of entertainment media on tobacco use. © 2012 The Authors, Addiction © 2012 Society for the Study of Addiction.

Scalar-tensor Theories of Gravity: Some personal history

NASA Astrophysics Data System (ADS)

Brans, Carl H.

2008-12-01

From a perspective of some 50 years or more, this paper reviews my recall of the early days of scalar-tensor alternatives to standard Einstein general relativistic theory of gravity. Of course, the story begins long before my involvement, going back to the proposals of Nordström in 1914, and that of Kaluza, Klein, et al., a few years later, sol include reviews of these seminal ideas and those that followed in the 1920's through the 1940's. This early work concerned the search for a Unified Field Theory, unifying gravity and Electromagnetism, using five dimensional manifolds. This formalism included not only the electromagnetic spacetime vector potential within the five-metric, but also a spacetime scalar as the five-five metric component. Although this was at first regarded more as a nuisance, to be set to a constant, it turned out later that Fierz, Jordan, Einstein and Bergmann noticed that this scalar could be a field, possibly related to the Newtonian gravitational constant. Relatively little theoretical and experimental attention was given to these ideas until after the second world war when Bob Dicke, motivated by the ideas of Mach, Dirac, and others, suggested that this additional scalar, coupled only to the metric and matter, could provide a reasonable and viable alternative to standard Einstein theory. This is the point of my direct involvement with these topics. However, it was Dicke's prominence and expertise in experimental work, together with the blossoming of NASA's experimental tools, that caused the explosion of interest, experimental and theoretical, in this possible alternative to standard Einstein theory. This interest has waxed and waned over the last 50 years, and we summarize some of this work.

Atmospheric Circulations of Rocky Planets as Heat Engines

NASA Astrophysics Data System (ADS)

Koll, D. D. B.

2017-12-01

Rocky planets are extremely common in the galaxy and include Earth, Mars, Venus, and hundreds of exoplanets. To understand and compare the climates of these planets, we need theories that are general enough to accommodate drastically different atmospheric and planetary properties. Unfortunately, few such theories currently exist.For Earth, there is a well-known principle that its atmosphere resembles a heat engine - the atmosphere absorbs heat near the surface, at a hot temperature, and emits heat to space in the upper troposphere, at a cold temperature, which allows it to perform work and balance dissipative processes such as friction. However, previous studies also showed that Earth's hydrological cycle uses up a large fraction of the heat engine's work output, which makes it difficult to view other atmospheres as heat engines.In this work I extend the heat engine principle from Earth towards other rocky planets. I explore both dry and moist atmospheres in an idealized general circulation model (GCM), and quantify their work output using entropy budgets. First, I show that convection and turbulent heat diffusion are important entropy sources in dry atmospheres. I develop a scaling that accounts for its effects, which allows me to predict the strength of frictional dissipation in dry atmospheres. There are strong parallels between my scaling and so-called potential intensity theory, which is a seminal theory for understanding tropical cyclones on Earth. Second, I address how moisture affects atmospheric heat engines. Moisture modifies both the thermodynamic properties of air and releases latent heat when water vapor condenses. I explore the impact of both effects, and use numerical simulations to explore the difference between dry and moist atmospheric circulations across a wide range of climates.

Molecular dynamics studies of electron-ion temperature equilibration in hydrogen plasmas within the coupled-mode regime

DOE PAGES

Benedict, Lorin X.; Surh, Michael P.; Stanton, Liam G.; ...

2017-04-10

Here, we use classical molecular dynamics (MD) to study electron-ion temperature equilibration in two-component plasmas in regimes for which the presence of coupled collective modes has been predicted to substantively reduce the equilibration rate. Guided by previous kinetic theory work, we examine hydrogen plasmas at a density of n = 10 26cm –3, T i = 10 5K, and 10 7 K < Te < 10 9K. The nonequilibrium classical MD simulations are performed with interparticle interactions modeled by quantum statistical potentials (QSPs). Our MD results indicate (i) a large effect from time-varying potential energy, which we quantify by appealingmore » to an adiabatic two-temperature equation of state, and (ii) a notable deviation in the energy equilibration rate when compared to calculations from classical Lenard-Balescu theory including the QSPs. In particular, it is shown that the energy equilibration rates from MD are more similar to those of the theory when coupled modes are neglected. We suggest possible reasons for this surprising result and propose directions of further research along these lines.« less

Sharing the cost of river basin adaptation portfolios to climate change: Insights from social justice and cooperative game theory

NASA Astrophysics Data System (ADS)

Girard, Corentin; Rinaudo, Jean-Daniel; Pulido-Velazquez, Manuel

2016-10-01

The adaptation of water resource systems to the potential impacts of climate change requires mixed portfolios of supply and demand adaptation measures. The issue is not only to select efficient, robust, and flexible adaptation portfolios but also to find equitable strategies of cost allocation among the stakeholders. Our work addresses such cost allocation problems by applying two different theoretical approaches: social justice and cooperative game theory in a real case study. First of all, a cost-effective portfolio of adaptation measures at the basin scale is selected using a least-cost optimization model. Cost allocation solutions are then defined based on economic rationality concepts from cooperative game theory (the Core). Second, interviews are conducted to characterize stakeholders' perceptions of social justice principles associated with the definition of alternatives cost allocation rules. The comparison of the cost allocation scenarios leads to contrasted insights in order to inform the decision-making process at the river basin scale and potentially reap the efficiency gains from cooperation in the design of river basin adaptation portfolios.

Central and Divided Visual Field Presentation of Emotional Images to Measure Hemispheric Differences in Motivated Attention.

PubMed

O'Hare, Aminda J; Atchley, Ruth Ann; Young, Keith M

2017-11-16

Two dominant theories on lateralized processing of emotional information exist in the literature. One theory posits that unpleasant emotions are processed by right frontal regions, while pleasant emotions are processed by left frontal regions. The other theory posits that the right hemisphere is more specialized for the processing of emotional information overall, particularly in posterior regions. Assessing the different roles of the cerebral hemispheres in processing emotional information can be difficult without the use of neuroimaging methodologies, which are not accessible or affordable to all scientists. Divided visual field presentation of stimuli can allow for the investigation of lateralized processing of information without the use of neuroimaging technology. This study compared central versus divided visual field presentations of emotional images to assess differences in motivated attention between the two hemispheres. The late positive potential (LPP) was recorded using electroencephalography (EEG) and event-related potentials (ERPs) methodologies to assess motivated attention. Future work will pair this paradigm with a more active behavioral task to explore the behavioral impacts on the attentional differences found.

Can the use of humor in psychotherapy be taught?

PubMed

Valentine, Lisa; Gabbard, Glen O

2014-02-01

Despite an abundance of literature detailing the potential benefits of the use of humor in therapy, humor is rarely taught to psychiatric residents as a method of therapeutic intervention. This communication attempts to explain how current understanding of attachment theory and neuroscience may assist psychiatric faculty and supervisors in their teaching of humorous therapeutic interventions. This article reviews and synthesizes the extant literature on the use of humor, as well as recent work in neuroscience, attachment theory, and mentalization. Humor can be conceptualized as an instance of implicit relational knowing and may thus contribute significantly to the therapeutic action of psychotherapy as a subcategory of "moments of meeting" between therapist and patient. However, training residents to use humor in psychotherapy requires more individualized attention in supervision and classroom seminars. Factors such as individual proclivities for humorous repartee, mentalizing capacity, and an authentic interest in adding humor to the session may be necessary to incorporate spontaneous humor into one's technique. New findings from the areas of attachment theory, neuroscience, and right-hemisphere learning are providing potential opportunities for sophisticated teaching of the use of humor in psychotherapy.

Maximum Entropy Methods as the Bridge Between Microscopic and Macroscopic Theory

NASA Astrophysics Data System (ADS)

Taylor, Jamie M.

2016-09-01

This paper is concerned with an investigation into a function of macroscopic variables known as the singular potential, building on previous work by Ball and Majumdar. The singular potential is a function of the admissible statistical averages of probability distributions on a state space, defined so that it corresponds to the maximum possible entropy given known observed statistical averages, although non-classical entropy-like objective functions will also be considered. First the set of admissible moments must be established, and under the conditions presented in this work the set is open, bounded and convex allowing a description in terms of supporting hyperplanes, which provides estimates on the development of singularities for related probability distributions. Under appropriate conditions it is shown that the singular potential is strictly convex, as differentiable as the microscopic entropy, and blows up uniformly as the macroscopic variable tends to the boundary of the set of admissible moments. Applications of the singular potential are then discussed, and particular consideration will be given to certain free-energy functionals typical in mean-field theory, demonstrating an equivalence between certain microscopic and macroscopic free-energy functionals. This allows statements about L^1-local minimisers of Onsager's free energy to be obtained which cannot be given by two-sided variations, and overcomes the need to ensure local minimisers are bounded away from zero and +∞ before taking L^∞ variations. The analysis also permits the definition of a dual order parameter for which Onsager's free energy allows an explicit representation. Also, the difficulties in approximating the singular potential by everywhere defined functions, in particular by polynomial functions, are addressed, with examples demonstrating the failure of the Taylor approximation to preserve relevant shape properties of the singular potential.

An EQT-based cDFT approach for thermodynamic properties of confined fluid mixtures

NASA Astrophysics Data System (ADS)

Motevaselian, M. H.; Aluru, N. R.

2017-04-01

We present an empirical potential-based quasi-continuum theory (EQT) to predict the structure and thermodynamic properties of confined fluid mixtures. The central idea in the EQT is to construct potential energies that integrate important atomistic details into a continuum-based model such as the Nernst-Planck equation. The EQT potentials can be also used to construct the excess free energy functional, which is required for the grand potential in the classical density functional theory (cDFT). In this work, we use the EQT-based grand potential to predict various thermodynamic properties of a confined binary mixture of hydrogen and methane molecules inside graphene slit channels of different widths. We show that the EQT-cDFT predictions for the structure, surface tension, solvation force, and local pressure tensor profiles are in good agreement with the molecular dynamics simulations. Moreover, we study the effect of different bulk compositions and channel widths on the thermodynamic properties. Our results reveal that the composition of methane in the mixture can significantly affect the ordering of molecules and thermodynamic properties under confinement. In addition, we find that graphene is selective to methane molecules.

Grounded theory and feminist inquiry: revitalizing links to the past.

PubMed

Plummer, Marilyn; Young, Lynne E

2010-04-01

Grounded theory has served feminist research endeavors since the mid-1990s. Researchers from a variety of disciplines claim methodological compatibility and incorporate feminist principles into their grounded theory studies. This article seeks to demonstrate the epistemological affinity between feminist inquiry and grounded theory. Although this relationship is not necessarily unique, the authors contend that when combined, it loosens the androcentric moorings of the empirical processes underpinning grounded theory, enabling the researchers to design inquiry with greater potential to reveal issues particular to the lives and experiences of marginalized women. The article begins by retracing the roots of grounded theory and feminist inquiry to identify six key areas where the underpinnings of GT are enriched by a feminist perspective when working with women. In addition, the authors draw on the literature and their experience from a 2005 study of peer support and lone mothers' health to demonstrate the advantages of combining these theoretical perspectives. Finally, the authors recommend that nurse researchers draw on feminist principles to guide their use of grounded theory to better serve the interests of women by surfacing issues of gender and power that influence the health experience.

'A good fit?' Bringing the sociology of footwear to the clinical encounter in podiatry services: a narrative review.

PubMed

Nicholls, Emily; Robinson, Victoria; Farndon, Lisa; Vernon, Wesley

2018-01-01

This narrative review explores the ways in which drawing on theories and methods used in sociological work on footwear and identity can contribute to healthcare research with podiatrists and their patients, highlighting recent research in this field, implications for practice and potential areas for future development.Traditionally, research within Podiatry Services has tended to adopt a quantitative, positivist focus, developing separately from a growing body of sociological work exploring the importance of shoes in constructing identity and self-image. Bringing qualitative research drawing on sociological theory and methods to the clinical encounter has real potential to increase our understanding of patient values, motivations and - crucially - any barriers to adopting 'healthier' footwear that they may encounter. Such work can help practitioners to understand why patients may resist making changes to their footwear practices, and help us to devise new ways for practitioners to explore and ultimately break down individual barriers to change (including their own preconceptions as practitioners). This, in turn, may lead to long-term, sustainable changes to footwear practices and improvements in foot health for those with complex health conditions and the wider population. A recognition of the complex links between shoes and identity is opening up space for discussion of patient resistance to footwear changes, and paving the way for future research in this field beyond the temporary 'moment' of the clinical encounter.

Nonideal Solute Chemical Potential Equation and the Validity of the Grouped Solute Approach for Intracellular Solution Thermodynamics.

PubMed

Zielinski, Michal W; McGann, Locksley E; Nychka, John A; Elliott, Janet A W

2017-11-22

The prediction of nonideal chemical potentials in aqueous solutions is important in fields such as cryobiology, where models of water and solute transport-that is, osmotic transport-are used to help develop cryopreservation protocols and where solutions contain many varied solutes and are generally highly concentrated and thus thermodynamically nonideal. In this work, we further the development of a nonideal multisolute solution theory that has found application across a broad range of aqueous systems. This theory is based on the osmotic virial equation and does not depend on multisolute data. Specifically, we derive herein a novel solute chemical potential equation that is thermodynamically consistent with the existing model, and we establish the validity of a grouped solute model for the intracellular space. With this updated solution theory, it is now possible to model cellular osmotic behavior in nonideal solutions containing multiple permeating solutes, such as those commonly encountered by cells during cryopreservation. In addition, because we show here that for the osmotic virial equation the grouped solute approach is mathematically equivalent to treating each solute separately, multisolute solutions in other applications with fixed solute mass ratios can now be treated rigorously with such a model, even when all of the solutes cannot be enumerated.

The Implications of the School's Cultural Attributes in the Relationships between Participative Leadership and Teacher Job Satisfaction and Burnout

ERIC Educational Resources Information Center

Benoliel, Pascale; Barth, Anat

2017-01-01

Purpose: As a result of continuous reforms, increased emphasis has been placed on participative leadership as a means to improving school and teacher outcomes. However, along with the benefits of participative leadership comes the potential for strain and burnout, which stem from work intensification. Applying the implicit leadership theory and…

Goodbye to Summer Vacation? The Effects of Summer Enrollment on College and Employment Outcomes. A CAPSEE Working Paper

ERIC Educational Resources Information Center

Liu, Vivian Yuen Ting

2016-01-01

Despite rich evidence on the benefit of summer enrollment at the K-12 level, the college completion literature has so far focused on college readiness, remediation, and financial aid, and has largely overlooked the potential benefits of taking summer courses among college students. Academic momentum theory suggests that summer enrollment may…

Case Studies Nested in Fuzzy-Set QCA on Sufficiency: Formalizing Case Selection and Causal Inference

ERIC Educational Resources Information Center

Schneider, Carsten Q.; Rohlfing, Ingo

2016-01-01

Qualitative Comparative Analysis (QCA) is a method for cross-case analyses that works best when complemented with follow-up case studies focusing on the causal quality of the solution and its constitutive terms, the underlying causal mechanisms, and potentially omitted conditions. The anchorage of QCA in set theory demands criteria for follow-up…

Positive feelings facilitate working memory and complex decision making among older adults.

PubMed

Carpenter, Stephanie M; Peters, Ellen; Västfjäll, Daniel; Isen, Alice M

2013-01-01

The impact of induced mild positive feelings on working memory and complex decision making among older adults (aged 63-85) was examined. Participants completed a computer administered card task in which participants could win money if they chose from "gain" decks and lose money if they chose from "loss" decks. Individuals in the positive-feeling condition chose better than neutral-feeling participants and earned more money overall. Participants in the positive-feeling condition also demonstrated improved working-memory capacity. These effects of positive-feeling induction have implications for affect theory, as well as, potentially, practical implications for people of all ages dealing with complex decisions.

Correctional officers' perceptions of a solution-focused training program: potential implications for working with offenders.

PubMed

Pan, Peter Jen Der; Deng, Liang-Yu F; Chang, Shona Shih Hua; Jiang, Karen Jye-Ru

2011-09-01

The purpose of this exploratory study was to explore correctional officers' perceptions and experiences during a solution-focused training program and to initiate development of a modified pattern for correctional officers to use in jails. The study uses grounded theory procedures combined with a follow-up survey. The findings identified six emergent themes: obstacles to doing counseling work in prisons, offenders' amenability to change, correctional officers' self-image, advantages of a solution-focused approach (SFA), potential advantages of applying SFA to offenders, and the need for the consolidation of learning and transformation. Participants perceived the use of solution-focused techniques as appropriate, important, functional, and of only moderate difficulty in interacting with offenders. Finally, a modified pattern was developed for officers to use when working with offenders in jails. Suggestions and recommendations are made for correctional interventions and future studies.

Thermal analysis of smart composite laminated angle-ply using higher order shear deformation theory with zig zag function

NASA Astrophysics Data System (ADS)

YagnaSri, P.; Siddiqui, Maimuna; Vijaya Nirmala, M.

2018-03-01

The objective of the work is to develop the higher order theory for piezoelectric composite laminated plates with zigzag function and to determine the thermal characteristics of piezoelectric laminated plate with zig zag function for different aspect ratios (a/h), thickness ratios (z/h) and voltage and also to evaluate electric potential function by solving second order differential equation satisfying electric boundary conditions along the thickness direction of piezoelectric layer. The related functions and derivations for equation of motion are obtained using the dynamic version of the principle of virtual work or Hamilton’s principle. The solutions are obtained by using Navier’s stokes method for anti-symmetric angle-ply with specific type of simply supported boundary conditions. Computer programs have been developed for realistic prediction of stresses and deflections for various sides to thickness ratios (a/h) and voltages.

Assessing Behavioral Stages From Social Media Data.

PubMed

Liu, Jason; Weitzman, Elissa R; Chunara, Rumi

2017-01-01

Important work rooted in psychological theory posits that health behavior change occurs through a series of discrete stages. Our work builds on the field of social computing by identifying how social media data can be used to resolve behavior stages at high resolution (e.g. hourly/daily) for key population subgroups and times. In essence this approach opens new opportunities to advance psychological theories and better understand how our health is shaped based on the real, dynamic, and rapid actions we make every day. To do so, we bring together domain knowledge and machine learning methods to form a hierarchical classification of Twitter data that resolves different stages of behavior. We identify and examine temporal patterns of the identified stages, with alcohol as a use case (planning or looking to drink, currently drinking, and reflecting on drinking). Known seasonal trends are compared with findings from our methods. We discuss the potential health policy implications of detecting high frequency behavior stages.

WH Craib: a critical account of his work

PubMed Central

Naidoo, DP

2009-01-01

Summary Summary One hundred years after its introduction, the ECG remains the most commonly used cardiovascular laboratory procedure. It fulfils all the requirements of a diagnostic test: it is non-invasive, simple to record, highly reproducible and can be applied serially. It is the first laboratory test to be performed in a patient with chest pain, syncope or cardiac arrhythmias. It is also a prognostic tool that aids in risk stratification and clinical management. Among the many South Africans who have made remarkable contributions in the field of electrocardiography, Don Craib was the first to investigate the changing patterns of the ECG action potential in isolated skeletal muscle strips under varying conditions. It was during his stay at Johns Hopkins Hospital in Baltimore and Sir Thomas Lewis laboratory in London that Craib made singular observations about the fundamental origins of electrical signals in the skeletal muscle, and from these developed his hypothesis on the generation of the action potential in the electrocardiogram. His proposals went contrary to scientific opinion at the time and he was rebuffed by the scientific community. Frank Wilson subsequently went on to develop Craib’s doublet hypothesis into the dipole theory, acknowledging Craib’s work. Today the dipole theory is fundamental to the understanding of the spread of electrical activation in the myocardium and the genesis of the action potential. PMID:19287808

Investigative study of holographic recording materials development

NASA Technical Reports Server (NTRS)

1972-01-01

The potential of certain cis-trans isomers and doped LiNbO3 for the holographic read/write/erase memory application was investigated. The cis-trans work involved the photochemical investigation of a number of potential materials as well as specific molecular engineering efforts on alpha-methyl stilbene and its derivatives. These efforts resulted in an increase in the change in index of refraction, and thereby, in potential recording utility, of an order of magnitude. The work on LiNbO3 was directed toward a preliminary investigation of the dynamics of the writing process. Several samples and a variety of writing conditions were investigated. An unexpected and as yet unexplained improvement in material behavior with continued recycling was observed. In addition, some effort was devoted to an analysis of the physical conditions under which several current theories of the optical damage process are valid.

Gallery Educators as Adult Learners: The Active Application of Adult Learning Theory

ERIC Educational Resources Information Center

McCray, Kimberly H.

2016-01-01

In order to better understand the importance of adult learning theory to museum educators' work, and that of their profession at large, museum professionals must address the need for more adult learning research and practice in museums--particularly work informed by existing theory and work seeking to generate new theory. Adult learning theory…

Teacher Perspectives of Interdisciplinary Coteaching Relationships in a Clinical Skills Course: A Relational Coordination Theory Analysis.

PubMed

Daniel, Michelle M; Ross, Paula; Stalmeijer, Renée E; de Grave, Willem

2018-01-01

Phenomenon: Interdisciplinary coteaching has become a popular pedagogic model in medical education, yet there is insufficient research to guide effective practices in this context. Coteaching relationships are not always effective, which has the potential to affect the student experience. The purpose of this study was to explore interdisciplinary coteaching relationships between a physician (MD) and social behavioral scientist (SBS) in an undergraduate clinical skills course. We aimed to gain an in-depth understanding of what teachers perceive as influencing the quality of relationships to begin to construct a framework for collaborative teaching in medical education. A qualitative study was conducted consisting of 12 semistructured interviews (6 MD and 6 SBS) and 2 monodisciplinary focus groups. Sampling was purposive and aimed at maximal variation from among 64 possible faculty. The data were analyzed using the constant comparative method to develop a grounded theory. Five major themes resulted from the analysis that outline a framework for interdisciplinary coteaching: respect, shared goals, shared knowledge and understanding, communication, and complementary pairings. Insights: The first 4 themes align with elements of relational coordination theory, an organizational theory of collaborative practice that describes how work roles interact. The complementary pairings extend this theory from work roles to individuals, with unique identities and personal beliefs and values about teaching. Prior studies on coteaching have not provided a clear linkage to theory. The conceptual framework helps suggest future directions for coteaching research and has practical implications for administrative practices and faculty development. These findings contribute to the sparse research in medical education on interdisciplinary coteaching relationships.

Problems, policies and politics: making the case for better assistive technology provision in Australia.

PubMed

Layton, Natasha

2015-05-01

Substantial evidence supports assistive technology and environmental adaptations as key enablers to participation. In order to realise the potential of these interventions, they need to be both recognised in policy, and resourced in practice. This paper uses political theory to understand the complexities of assistive technology (AT) policy reform in Australia. AT research will not be influential in improving AT policy without consideration of political drivers. Theories of policy formation are considered, with Kingdon's (2003) theory of multiple streams identified as a useful lens through which to understand government actions. This theory is applied to the case of current AT policy reformulation in Australia. The convergence model of problem identification, policy formulation and political will is found to be an applicable construct with which to evaluate contemporary policy changes. This paper illustrates the cogency of this theory for the field of AT, in the case of Australia's recent disability and aged care reforms. Political theory provides a way of conceptualising the difficulties of consumers and AT practitioners experience in getting therapeutically valid solutions into public policy, and then getting policies prioritised and funded. It is suggested that AT practitioners must comprehend and consider political factors in working towards effective policies to support their practice. AT practitioners generally lack political awareness or an understanding of the drivers of policy. The effectiveness of AT practitioners at a systemic level will remain limited without consideration of policy drivers. AT practitioners must comprehend and consider political factors in working towards effective policies to support their practice.

Nursing Services Delivery Theory: an open system approach.

PubMed

Meyer, Raquel M; O'Brien-Pallas, Linda L

2010-12-01

This paper is a discussion of the derivation of the Nursing Services Delivery Theory from the application of open system theory to large-scale organizations. The underlying mechanisms by which staffing indicators influence outcomes remain under-theorized and unmeasured, resulting in a 'black box' that masks the nature and organization of nursing work. Theory linking nursing work, staffing, work environments, and outcomes in different settings is urgently needed to inform management decisions about the allocation of nurse staffing resources in organizations. A search of CINAHL and Business Source Premier for the years 1980-2008 was conducted using the following terms: theory, models, organization, organizational structure, management, administration, nursing units, and nursing. Seminal works were included. The healthcare organization is conceptualized as an open system characterized by energy transformation, a dynamic steady state, negative entropy, event cycles, negative feedback, differentiation, integration and coordination, and equifinality. The Nursing Services Delivery Theory proposes that input, throughput, and output factors interact dynamically to influence the global work demands placed on nursing work groups at the point of care in production subsystems. THE Nursing Services Delivery Theory can be applied to varied settings, cultures, and countries and supports the study of multi-level phenomena and cross-level effects. The Nursing Services Delivery Theory gives a relational structure for reconciling disparate streams of research related to nursing work, staffing, and work environments. The theory can guide future research and the management of nursing services in large-scale healthcare organizations. © 2010 Blackwell Publishing Ltd.

On Floating Potential of Emissive Probes in a Partially-Magnetized Plasma

NASA Astrophysics Data System (ADS)

Raitses, Yevgeny; Kraus, Brian

2016-10-01

We compare measurements of plasma potential in a cross-field Penning discharge from two probes: swept biased Langmuir probe and floating emissive probe. The plasma potential was deduced from the first derivative of the Langmuir probe characteristic. In previous studies, the emissive and swept biased probes were placed at the channel exit of a Hall thruster (HT). Measurements showed that the emissive probe floats below the plasma potential, in agreement with conventional theories. However, recent measurements in the Penning discharge indicate a floating potential of a strongly-emitting hot probe above the plasma potential. In both probe applications, xenon plasmas have magnetized electrons and non-magnetized ions with similar plasma densities (1010 - 1011 cm-3) . Though their electron temperatures differ by an order of magnitude (Penning 5 eV, HT 50 eV), this difference cannot explain the difference in measurement values of the hot floating potential because both temperatures are much higher than the emitting wire. In this work, we investigate how the ion velocity and other plasma parameters affect this discrepancy between probe measurements of the plasma potential. This work was supported by DOE contract DE-AC02-09CH11466.

N=2 Minimal Conformal Field Theories and Matrix Bifactorisations of x d

NASA Astrophysics Data System (ADS)

Davydov, Alexei; Camacho, Ana Ros; Runkel, Ingo

2018-01-01

We establish an action of the representations of N = 2-superconformal symmetry on the category of matrix factorisations of the potentials x d and x d - y d , for d odd. More precisely we prove a tensor equivalence between (a) the category of Neveu-Schwarz-type representations of the N = 2 minimal super vertex operator algebra at central charge 3-6/d, and (b) a full subcategory of graded matrix factorisations of the potential x d - y d . The subcategory in (b) is given by permutation-type matrix factorisations with consecutive index sets. The physical motivation for this result is the Landau-Ginzburg/conformal field theory correspondence, where it amounts to the equivalence of a subset of defects on both sides of the correspondence. Our work builds on results by Brunner and Roggenkamp [BR], where an isomorphism of fusion rules was established.

Awareness Programs and Change in Taste-Based Caste Prejudice

PubMed Central

Banerjee, Ritwik; Datta Gupta, Nabanita

2015-01-01

Becker's theory of taste-based discrimination predicts that relative employment of the discriminated social group will improve if there is a decrease in the level of prejudice for the marginally discriminating employer. In this paper we experimentally test this prediction offered by Garry Becker in his seminal work on taste based discrimination, in the context of caste in India, with management students (potential employers in the near future) as subjects. First, we measure caste prejudice and show that awareness through a TV social program reduces implicit prejudice against the lower caste and the reduction is sustained over time. Second, we find that the treatment reduces the prejudice levels of those in the left tail of the prejudice distribution - the group which can potentially affect real outcomes as predicted by the theory. And finally, a larger share of the treatment group subjects exhibit favorable opinion about reservation in jobs for the lower caste. PMID:25902290

A molecular theory for optimal blue energy extraction by electrical double layer expansion

DOE PAGES

Kong, Xian; Gallegos, Alejandro; Lu, Diannan; ...

2015-08-19

We proposed the electrical double layer expansion (CDLE) as a promising alternative to reverse electrodialysis (RED) and pressure retarded osmosis (PRO) processes for extracting osmotic power generated by the salinity difference between freshwater and seawater. The performance of the CDLE process is sensitive to the configuration of porous electrodes and operation parameters for ion extraction and release cycles. In our work, we use a classical density functional theory (CDFT) to examine how the electrode pore size and charging/discharging potentials influence the thermodynamic efficiency of the CDLE cycle. The existence of an optimal charging potential that maximizes the energy output formore » a given pore configuration is predicted, which varies substantially with the pore size, especially when it is smaller than 2 nm. Finally, the thermodynamic efficiency is maximized when the electrode has a pore size about twice the ion diameter.« less

Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory.

PubMed

Vikramaditya, Talapunur; Lin, Shiang-Tai

2017-06-05

Accurate determination of ionization potentials (IPs), electron affinities (EAs), fundamental gaps (FGs), and HOMO, LUMO energy levels of organic molecules play an important role in modeling and predicting the efficiencies of organic photovoltaics, OLEDs etc. In this work, we investigate the effects of Hartree Fock (HF) Exchange, correlation energy, and long range corrections in predicting IP and EA in Hybrid Functionals. We observe increase in percentage of HF exchange results in increase of IPs and decrease in EAs. Contrary to the general expectations inclusion of both HF exchange and correlation energy (from the second order perturbation theory MP2) leads to poor prediction. Range separated Hybrid Functionals are found to be more reliable among various DFT Functionals investigated. DFT Functionals predict accurate IPs whereas post HF methods predict accurate EAs. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Mathematics teacher professional development in and through internet use: reflections on an ethnographic study

NASA Astrophysics Data System (ADS)

Patahuddin, Sitti Maesuri

2013-12-01

This paper is a reflection on a model for mathematics teacher professional development with respect to technology. The model was informed by three interrelated concepts: (1) a theory of teacher professional development from analysis of the field, (2) the zone theory of teacher professional learning, and (3) ethnography as a method. The model was applied in a study that focused on the uses of the Internet for primary mathematics teacher professional development, particularly to exploit the potential of the Internet for professional learning and to use it in professional work. This is illustrated through selected critical events over an eight-month ethnographic intervention in a primary mathematics classroom in Australia. Though the model is theoretically grounded, it opens up questions about the power, potential, and challenges as well as its feasibility, with respect to not only the teacher but also the ethnographer.

Awareness programs and change in taste-based caste prejudice.

PubMed

Banerjee, Ritwik; Datta Gupta, Nabanita

2015-01-01

Becker's theory of taste-based discrimination predicts that relative employment of the discriminated social group will improve if there is a decrease in the level of prejudice for the marginally discriminating employer. In this paper we experimentally test this prediction offered by Garry Becker in his seminal work on taste based discrimination, in the context of caste in India, with management students (potential employers in the near future) as subjects. First, we measure caste prejudice and show that awareness through a TV social program reduces implicit prejudice against the lower caste and the reduction is sustained over time. Second, we find that the treatment reduces the prejudice levels of those in the left tail of the prejudice distribution--the group which can potentially affect real outcomes as predicted by the theory. And finally, a larger share of the treatment group subjects exhibit favorable opinion about reservation in jobs for the lower caste.

How theory is used and articulated in qualitative research: development of a new typology.

PubMed

Bradbury-Jones, Caroline; Taylor, Julie; Herber, Oliver

2014-11-01

There is a long tradition within qualitative research of theory being central and of critical importance. Qualitative research theory often equates with the methodologies used but this is a complex relationship, plagued by lack of consensus among scholars regarding how theory and methodology are related. This article furthers the debates on how theories are used in qualitative research, how they might influence a study and how they are articulated in publications. The aim is to provide a framework through which the relationship between theory and qualitative research can be understood. We propose a five-point typology on the levels of theoretical visibility, testing this against a range of published research from five key international health, medicine and social science journals. The typology captures a range of visibility--from seemingly absent through to highly visible and applied throughout. There was a clear gradient in this assessment--only a minority appeared to use theory consistently throughout a study. We outline several challenges to consistently applying theory in qualitative research and suggest potential solutions. This article is based on the argument that lack of theory in qualitative research undermines its quality. The typology is offered to assist researchers in applying theory in their own research and critiquing its use in the work of others. Copyright © 2014 Elsevier Ltd. All rights reserved.

Infusing Theory into Practice, Practice into Theory: Small Wins and Big Gains for Evaluation

ERIC Educational Resources Information Center

Rog, Debra J.

2015-01-01

This article illustrates the synergistic role between practice and theory in evaluation. Using reflective practice, the author reviews her own work as well as the work of other evaluators to illustrate how theory can influence practice and, in turn, how evaluation practice can inform and grow theory, especially evaluation theory. The following…

More is less: Learning but not relaxing buffers deviance under job stressors.

PubMed

Zhang, Chen; Mayer, David M; Hwang, Eunbit

2018-02-01

Workplace deviance harms the well-being of an organization and its members. Unfortunately, theory and prior research suggest that deviance is associated with job stressors, which are endemic to work organizations and often cannot be easily eliminated. To address this conundrum, we explore actions individuals can take at work that serve as buffering conditions for the positive relationship between job stressors and deviant behavior. Drawing upon conservation of resources theory, we examine a resource-building activity (i.e., learning something new at work) and a demand-shielding activity (i.e., taking time for relaxation at work) as potential boundary conditions. In 2 studies with employee samples using complementary designs, we find support for the buffering role of learning but not for relaxation. When employees learn new things at work, the relationship between hindrance stressors and deviance is weaker; as is the indirect relationship mediated by negative emotions. Taking time for relaxation at work did not show a moderating role in either study. Therefore, although relaxation is a response that individuals might be inclined to turn to for counteracting work stress, our findings suggest that, when it comes to addressing negative emotions and deviance in stressful work environments, building positive resources by learning something new at work could be more useful. In that way, doing more (i.e., learning, and not relaxing) is associated with less (deviance) in the face of job stressors. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

Predictors of nurse absenteeism in hospitals: a systematic review.

PubMed

Davey, Mandy M; Cummings, Greta; Newburn-Cook, Christine V; Lo, Eliza A

2009-04-01

This study aimed to identify and examine predictors of short-term absences of staff nurses working in hospital settings reported in the research literature. Front-line staff nurse absenteeism contributes to discontinuity of patient care, decreased staff morale and is costly to healthcare. A systematic review of studies from 1986 to 2006, obtained through electronic searches of 10 online databases led to inclusion of 16 peer-reviewed research articles. Seventy potential predictors of absenteeism were examined and analysed using content analysis. Our findings showed that individual 'nurses' prior attendance records', 'work attitudes' (job satisfaction, organizational commitment and work/job involvement) and 'retention factors' reduced nurse absenteeism, whereas 'burnout' and 'job stress' increased absenteeism. Remaining factors examined in the literature did not significantly predict nurse absenteeism. Reasons underlying absenteeism among staff nurses are still poorly understood. Lack of robust theory about nursing absenteeism may underlie the inconsistent results found in this review. Further theory development and research is required to explore the determinants of short-term absenteeism of nurses in acute care hospitals. Work environment factors that increase nurses' job satisfaction, and reduce burnout and job stress need to be considered in managing staff nurse absenteeism.

A study of education and KSAOs on career entry for product engineers: What employers really want

NASA Astrophysics Data System (ADS)

Thornburgh, James

The purpose of the study was to investigate the ways that employers of product engineers evaluate potential employees' job readiness, and which theories related to the education-work transaction are supported by practice. This study used a mixed methods approach and consisted of a state-wide survey (N=106) and local interviews (N=8). The results of the research indicate that attributes of both the Theory of Individual Differences and Credentialing Theory are present in the hiring practices of product engineers. Consistent with the Theory of Individual Differences, employers indicate they look for evidence of various job-related Knowledge, Skills, Abilities, and Other attributes (KSAOs) and they indicate they are willing to hire applicants who have less than a bachelor's degree. Consistent with Credentialing Theory, employers advertise a formal education minimum which represents only one way that individuals may learn to be an engineer. This study also confirmed prior research that most employers use primarily non-evidence based predictors to evaluate applicants. The primary initial screening predictors were experience, GPA, and major, while the primary finalist selection predictors were unstructured interviews, and applications, followed by structured interviews, job knowledge tests, and work sample test. Contrary to previous findings, this study did not find any major differences between what HR professionals, engineering managers, or other manager look for in terms of qualifications or what predictors they use when evaluating applicants for product engineer positions.

On inflation with non-minimal coupling

NASA Astrophysics Data System (ADS)

Hertzberg, Mark P.

2010-11-01

A simple realization of inflation consists of adding the following operators to the Einstein-Hilbert action: ( ∂ϕ)2, λϕ 4, and ξϕ 2 R , with ξ a large non-minimal coupling. Recently there has been much discussion as to whether such theories make sense quantum mechanically and if the inflaton ϕ can also be the Standard Model Higgs. In this work we answer these questions. Firstly, for a single scalar ϕ, we show that the quantum field theory is well behaved in the pure gravity and kinetic sectors, since the quantum generated corrections are small. However, the theory likely breaks down at m Pl /ξ due to scattering provided by the self-interacting potential λϕ 4. Secondly, we show that the theory changes for multiple scalars overrightarrow φ with non-minimal coupling ξ overrightarrow φ \\cdot overrightarrow φ mathcal{R} , since this introduces qualitatively new interactions which manifestly generate large quantum corrections even in the gravity and kinetic sectors, spoiling the theory for energies ≳ m Pl /ξ. Since the Higgs doublet of the Standard Model includes the Higgs boson and 3 Goldstone bosons, it falls into the latter category and therefore its validity is manifestly spoiled. We show that these conclusions hold in both the Jordan and Einstein frames and describe an intuitive analogy in the form of the pion Lagrangian. We also examine the recent claim that curvature-squared inflation models fail quantum mechanically. Our work appears to go beyond the recent discussions.

Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential.

PubMed

Grabowski, Ireneusz; Teale, Andrew M; Śmiga, Szymon; Bartlett, Rodney J

2011-09-21

The framework of ab initio density-functional theory (DFT) has been introduced as a way to provide a seamless connection between the Kohn-Sham (KS) formulation of DFT and wave-function based ab initio approaches [R. J. Bartlett, I. Grabowski, S. Hirata, and S. Ivanov, J. Chem. Phys. 122, 034104 (2005)]. Recently, an analysis of the impact of dynamical correlation effects on the density of the neon atom was presented [K. Jankowski, K. Nowakowski, I. Grabowski, and J. Wasilewski, J. Chem. Phys. 130, 164102 (2009)], contrasting the behaviour for a variety of standard density functionals with that of ab initio approaches based on second-order Møller-Plesset (MP2) and coupled cluster theories at the singles-doubles (CCSD) and singles-doubles perturbative triples [CCSD(T)] levels. In the present work, we consider ab initio density functionals based on second-order many-body perturbation theory and coupled cluster perturbation theory in a similar manner, for a range of small atomic and molecular systems. For comparison, we also consider results obtained from MP2, CCSD, and CCSD(T) calculations. In addition to this density based analysis, we determine the KS correlation potentials corresponding to these densities and compare them with those obtained for a range of ab initio density functionals via the optimized effective potential method. The correlation energies, densities, and potentials calculated using ab initio DFT display a similar systematic behaviour to those derived from electronic densities calculated using ab initio wave function theories. In contrast, typical explicit density functionals for the correlation energy, such as VWN5 and LYP, do not show behaviour consistent with this picture of dynamical correlation, although they may provide some degree of correction for already erroneous explicitly density-dependent exchange-only functionals. The results presented here using orbital dependent ab initio density functionals show that they provide a treatment of exchange and correlation contributions within the KS framework that is more consistent with traditional ab initio wave function based methods.

Work-based learning as a means of developing and assessing nursing competence.

PubMed

Flanagan, J; Baldwin, S; Clarke, D

2000-05-01

Work-Based Learning is the bringing together of self-knowledge, expertise at work and formal knowledge. It takes a structured and learner-managed approach to maximizing opportunities for learning and professional development in the workplace. The development and assessment of nursing competence can be facilitated through Work-Based Learning, although this may require pedagogic and structural changes within nurse education. There are a number of conditions which must accompany effective participative learning, and these are discussed in the paper in relation to examples of nursing programmes. This method of learning and assessment has potential to bridge the gap between theory and practice, and as such it can only be achieved through commitment and partnership between the individual practitioner, clinical services and universities.

N-back Working Memory Task: Meta-analysis of Normative fMRI Studies With Children.

PubMed

Yaple, Zachary; Arsalidou, Marie

2018-05-07

The n-back task is likely the most popular measure of working memory for functional magnetic resonance imaging (fMRI) studies. Despite accumulating neuroimaging studies with the n-back task and children, its neural representation is still unclear. fMRI studies that used the n-back were compiled, and data from children up to 15 years (n = 260) were analyzed using activation likelihood estimation. Results show concordance in frontoparietal regions recognized for their role in working memory as well as regions not typically highlighted as part of the working memory network, such as the insula. Findings are discussed in terms of developmental methodology and potential contribution to developmental theories of cognition. © 2018 Society for Research in Child Development.

Lagged effects of family-supportive organization perceptions and supervision in relation to generalized work-related resources.

PubMed

Matthews, Russell A; Toumbeva, Tatiana H

2015-07-01

In the present study, grounded in organizational support and social exchange theory, the dynamic lagged interplay between family supportive supervision (FSS), family supportive organization perceptions (FSOP), perceived organizational support (POS), and leader-member exchange (LMX) was examined. Data were collected from 435 respondents over 3 time points with 6-week lags between assessments. Consistent with theory, FSS had a significant lagged effect on FSOP, whereas the reverse relationship was not supported. Interestingly, contrary to conservation of resources theory, we did not find significant lagged effects between POS and FSOP. Results further indicated that LMX and FSS were reciprocally related over time, suggesting the potential for a dynamic, mutually beneficial exchange relationship between subordinates and supervisors. Theoretical implications and considerations for research and practice are discussed. (PsycINFO Database Record (c) 2015 APA, all rights reserved).

An international collaboration in nursing education viewed through the lens of critical social theory.

PubMed

Ekstrom, David N; Sigurdsson, Hrafn Oli

2002-07-01

Critical social theory, including the work of Jurgen Habermas, provides a valuable lens for viewing phenomena within their sociopolitical contexts. According to Habermas, the lives and experiences of individuals, groups, and societies in the western world are strongly influenced by the forces of economics and power. These influences may interfere with communication and, therefore, the transmission and regeneration of culture and its meaning. This article describes the experience of initiating an international exchange program at a university school of nursing in the eastern United States. Examined through the lens of Habermas' theory, constraints and obstacles encountered in this process are revealed. Specifically, the inhibiting influence that politics and economics may have on active communication and the potential benefits of shared meaning and understanding achieved by interaction and discourse are examined.

Analysis of single-layer metamaterial absorber with reflection theory

NASA Astrophysics Data System (ADS)

Xiong, Han; Tang, Ming-Chun; Hong, Jing-Song

2015-04-01

A reflection theory is employed to analyze a single-layered metamaterial absorber. With the necessary conditions for zero reflection, the permittivity and permeability as functions of absorptivity were obtained, which are suitable for analyzing the absorption properties of single-layered metamaterial absorber at both normal and oblique incidence cases. With the obtained expressions, it not only can explain why the absorption peaks monotonously decrease with increasing of the incident angles but also can explore the relationship between the absorptivity and spacer thickness of the dielectric slab. A Jerusalem cross metamaterial absorber was simulated and verified the validity of this proposed reflection theory. The main contribution of our work is that it can explain the physical mechanism of the various absorption peaks by using the analytical formula and highlights its potential guidance for designing and analyzing metamaterial absorbers in the future.

Nursing Services Delivery Theory: an open system approach

PubMed Central

Meyer, Raquel M; O’Brien-Pallas, Linda L

2010-01-01

meyer r.m. & o’brien-pallas l.l. (2010)Nursing services delivery theory: an open system approach. Journal of Advanced Nursing66(12), 2828–2838. Aim This paper is a discussion of the derivation of the Nursing Services Delivery Theory from the application of open system theory to large-scale organizations. Background The underlying mechanisms by which staffing indicators influence outcomes remain under-theorized and unmeasured, resulting in a ‘black box’ that masks the nature and organization of nursing work. Theory linking nursing work, staffing, work environments, and outcomes in different settings is urgently needed to inform management decisions about the allocation of nurse staffing resources in organizations. Data sources A search of CINAHL and Business Source Premier for the years 1980–2008 was conducted using the following terms: theory, models, organization, organizational structure, management, administration, nursing units, and nursing. Seminal works were included. Discussion The healthcare organization is conceptualized as an open system characterized by energy transformation, a dynamic steady state, negative entropy, event cycles, negative feedback, differentiation, integration and coordination, and equifinality. The Nursing Services Delivery Theory proposes that input, throughput, and output factors interact dynamically to influence the global work demands placed on nursing work groups at the point of care in production subsystems. Implications for nursing The Nursing Services Delivery Theory can be applied to varied settings, cultures, and countries and supports the study of multi-level phenomena and cross-level effects. Conclusion The Nursing Services Delivery Theory gives a relational structure for reconciling disparate streams of research related to nursing work, staffing, and work environments. The theory can guide future research and the management of nursing services in large-scale healthcare organizations. PMID:20831573

Generation of membrane potential beyond the conceptual range of Donnan theory and Goldman-Hodgkin-Katz equation.

PubMed

Tamagawa, Hirohisa; Ikeda, Kota

2017-09-01

Donnan theory and Goldman-Hodgkin-Katz equation (GHK eq.) state that the nonzero membrane potential is generated by the asymmetric ion distribution between two solutions separated by a semipermeable membrane and/or by the continuous ion transport across the semipermeable membrane. However, there have been a number of reports of the membrane potential generation behaviors in conflict with those theories. The authors of this paper performed the experimental and theoretical investigation of membrane potential and found that (1) Donnan theory is valid only when the macroscopic electroneutrality is sufficed and (2) Potential behavior across a certain type of membrane appears to be inexplicable on the concept of GHK eq. Consequently, the authors derived a conclusion that the existing theories have some limitations for predicting the membrane potential behavior and we need to find a theory to overcome those limitations. The authors suggest that the ion adsorption theory named Ling's adsorption theory, which attributes the membrane potential generation to the mobile ion adsorption onto the adsorption sites, could overcome those problems.

The General Adaptation Syndrome: Potential misapplications to resistance exercise.

PubMed

Buckner, Samuel L; Mouser, J Grant; Dankel, Scott J; Jessee, Matthew B; Mattocks, Kevin T; Loenneke, Jeremy P

2017-11-01

Within the resistance training literature, one of the most commonly cited tenets with respect to exercise programming is the "General Adaptation Syndrome" (GAS). The GAS is cited as a central theory behind the periodization of resistance exercise. However, after examining the original stress research by Hans Selye, the applications of GAS to resistance exercise may not be appropriate. To examine the original work of Hans Selye, as well as the original papers through which the GAS was established as a central theory for periodized resistance exercise. We conducted a review of Selye's work on the GAS, as well as the foundational papers through which this concept was applied to resistance exercise. The work of Hans Selye focused on the universal physiological stress responses noted upon exposure to toxic levels of a variety of pharmacological agents and stimuli. The extrapolations that have been made to resistance exercise appear loosely based on this concept and may not be an appropriate basis for application of the GAS to resistance exercise. Copyright © 2017 Sports Medicine Australia. Published by Elsevier Ltd. All rights reserved.

Learning from doing: the case for combining normalisation process theory and participatory learning and action research methodology for primary healthcare implementation research.

PubMed

de Brún, Tomas; O'Reilly-de Brún, Mary; O'Donnell, Catherine A; MacFarlane, Anne

2016-08-03

The implementation of research findings is not a straightforward matter. There are substantive and recognised gaps in the process of translating research findings into practice and policy. In order to overcome some of these translational difficulties, a number of strategies have been proposed for researchers. These include greater use of theoretical approaches in research focused on implementation, and use of a wider range of research methods appropriate to policy questions and the wider social context in which they are placed. However, questions remain about how to combine theory and method in implementation research. In this paper, we respond to these proposals. Focussing on a contemporary social theory, Normalisation Process Theory, and a participatory research methodology, Participatory Learning and Action, we discuss the potential of their combined use for implementation research. We note ways in which Normalisation Process Theory and Participatory Learning and Action are congruent and may therefore be used as heuristic devices to explore, better understand and support implementation. We also provide examples of their use in our own research programme about community involvement in primary healthcare. Normalisation Process Theory alone has, to date, offered useful explanations for the success or otherwise of implementation projects post-implementation. We argue that Normalisation Process Theory can also be used to prospectively support implementation journeys. Furthermore, Normalisation Process Theory and Participatory Learning and Action can be used together so that interventions to support implementation work are devised and enacted with the expertise of key stakeholders. We propose that the specific combination of this theory and methodology possesses the potential, because of their combined heuristic force, to offer a more effective means of supporting implementation projects than either one might do on its own, and of providing deeper understandings of implementation contexts, rather than merely describing change.

Working with Local, State and Federal Partners to Address Health Education Needs of Hurricane Katrina Evacuees in Houston: A CDC Case Study

ERIC Educational Resources Information Center

Hoover, D. Michele; Dopson, Stephanie; Drehobl, Patricia

2010-01-01

For health educators to successfully meet the challenges of responding to public health emergencies, it is important to establish and understand the role of collaborations with local, state and federal partners in identifying potential public health issues and to develop theory-based models or strategies to address these issues before, during and…

Direct Reactions with Exotic Nuclei

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

Baur, G.; Typel, S.

2005-10-14

We discuss recent work on Coulomb dissociation and an effective-range theory of low-lying electromagnetic strength of halo nuclei. We propose to study Coulomb dissociation of a halo nucleus bound by a zero-range potential as a homework problem. We study the transition from stripping to bound and unbound states and point out in this context that the Trojan-Horse method is a suitable tool to investigate subthreshold resonances.

The phenomena of police fantasies, leg fetish, and father identification in a homosexual male.

PubMed

Baltazar, K K

1997-01-01

The relationship of police fantasies and leg fetish to identification with the father in a homosexual male. To describe two manifestations of identification with the father in a male homosexual. The author's clinical work. It is important to decode current behavior in light of theory and past history, to help clients move from potentially destructive behavior to satisfying interpersonal interactions.

An Assessment of Reliability of Dialogue Annotation Instructions

DTIC Science & Technology

1977-01-01

This report is part of an ongoing research effort on man-machine communication, which is engaged in transforming knowledge of how human communication works...certain kinds of recurring features in transcripts of human communication . These methods involve having a trained person, called an Observer, annotate...right kind of data for developing human communication theory. It is a confirmation of the appropriateness and potential effectiveness of using this

The Common Vision: Parenting and Educating for Wholeness. Counterpoints: Studies in the Postmodern Theory of Education, Volume 48.

ERIC Educational Resources Information Center

Marshak, David

This book describes the needs and potentials of children and youth from birth to age 21, based on a holistic understanding of what human beings are and can become. The description is based on the insights of three early twentieth-century spiritual teachers--Rudolf Steiner, Aurobindo Ghose, and Inayat Khan--whose works, the book claims, articulate…

Task Design for Students' Work with Basic Theory in Analysis: The Cases of Multidimensional Differentiability and Curve Integrals

ERIC Educational Resources Information Center

Gravesen, Katrine Frovin; Grønbaek, Niels; Winsløw, Carl

2017-01-01

We investigate the challenges students face in the transition from calculus courses, focusing on methods related to the analysis of real valued functions given in closed form, to more advanced courses on analysis where focus is on theoretical structure, including proof. We do so based on task design aiming for a number of generic potentials for…

Why does MP2 work?

PubMed

Fink, Reinhold F

2016-11-14

We show analytically and numerically that the performance of second order Møller-Plesset (MP) perturbation theory (PT), coupled-cluster (CC) theory, and other perturbation theory approaches can be rationalized by analyzing the wavefunctions of these methods. While rather large deviations for the individual contributions of configurations to the electron correlation energy are found for MP wavefunctions, they profit from an advantageous and robust error cancellation: The absolute contribution to the correlation energy is generally underestimated for the critical excitations with small energy denominators and all other doubly excited configurations where the two excited electrons are coupled to a singlet. This is balanced by an overestimation of the contribution of triplet-coupled double excitations to the correlation energy. The even better performance of spin-component-scaled-MP2 theory is explained by a similar error compensation effect. The wavefunction analysis for the lowest singlet states of H 2 O, CH 2 , CO, and Cu + shows the predicted trends for MP methods, rapid but biased convergence of CC theory as well as the substantial potential of linearized CC, or retaining the excitation-degree (RE)-PT.

Approximations to the exact exchange potential: KLI versus semilocal

NASA Astrophysics Data System (ADS)

Tran, Fabien; Blaha, Peter; Betzinger, Markus; Blügel, Stefan

2016-10-01

In the search for an accurate and computationally efficient approximation to the exact exchange potential of Kohn-Sham density functional theory, we recently compared various semilocal exchange potentials to the exact one [F. Tran et al., Phys. Rev. B 91, 165121 (2015), 10.1103/PhysRevB.91.165121]. It was concluded that the Becke-Johnson (BJ) potential is a very good starting point, but requires the use of empirical parameters to obtain good agreement with the exact exchange potential. In this work, we extend the comparison by considering the Krieger-Li-Iafrate (KLI) approximation, which is a beyond-semilocal approximation. It is shown that overall the KLI- and BJ-based potentials are the most reliable approximations to the exact exchange potential, however, sizable differences, especially for the antiferromagnetic transition-metal oxides, can be obtained.

A coupled cluster theory with iterative inclusion of triple excitations and associated equation of motion formulation for excitation energy and ionization potential

NASA Astrophysics Data System (ADS)

Maitra, Rahul; Akinaga, Yoshinobu; Nakajima, Takahito

2017-08-01

A single reference coupled cluster theory that is capable of including the effect of connected triple excitations has been developed and implemented. This is achieved by regrouping the terms appearing in perturbation theory and parametrizing through two different sets of exponential operators: while one of the exponentials, involving general substitution operators, annihilates the ground state but has a non-vanishing effect when it acts on the excited determinant, the other is the regular single and double excitation operator in the sense of conventional coupled cluster theory, which acts on the Hartree-Fock ground state. The two sets of operators are solved as coupled non-linear equations in an iterative manner without significant increase in computational cost than the conventional coupled cluster theory with singles and doubles excitations. A number of physically motivated and computationally advantageous sufficiency conditions are invoked to arrive at the working equations and have been applied to determine the ground state energies of a number of small prototypical systems having weak multi-reference character. With the knowledge of the correlated ground state, we have reconstructed the triple excitation operator and have performed equation of motion with coupled cluster singles, doubles, and triples to obtain the ionization potential and excitation energies of these molecules as well. Our results suggest that this is quite a reasonable scheme to capture the effect of connected triple excitations as long as the ground state remains weakly multi-reference.

Improving measurement of injection drug risk behavior using item response theory.

PubMed

Janulis, Patrick

2014-03-01

Recent research highlights the multiple steps to preparing and injecting drugs and the resultant viral threats faced by drug users. This research suggests that more sensitive measurement of injection drug HIV risk behavior is required. In addition, growing evidence suggests there are gender differences in injection risk behavior. However, the potential for differential item functioning between genders has not been explored. To explore item response theory as an improved measurement modeling technique that provides empirically justified scaling of injection risk behavior and to examine for potential gender-based differential item functioning. Data is used from three studies in the National Institute on Drug Abuse's Criminal Justice Drug Abuse Treatment Studies. A two-parameter item response theory model was used to scale injection risk behavior and logistic regression was used to examine for differential item functioning. Item fit statistics suggest that item response theory can be used to scale injection risk behavior and these models can provide more sensitive estimates of risk behavior. Additionally, gender-based differential item functioning is present in the current data. Improved measurement of injection risk behavior using item response theory should be encouraged as these models provide increased congruence between construct measurement and the complexity of injection-related HIV risk. Suggestions are made to further improve injection risk behavior measurement. Furthermore, results suggest direct comparisons of composite scores between males and females may be misleading and future work should account for differential item functioning before comparing levels of injection risk behavior.

Ethnography's Capacity to Contribute to the Cumulation of Theory: A Case Study of Differentiation-Polarisation Theory

ERIC Educational Resources Information Center

Hillyard, Sam

2010-01-01

The paper sets out to examine the role that ethnographic work can and should play in the development of sociological theory, focusing on the case study of differentiation-polarisation theory. It provides a detailed discussion of the work of Hargreaves (1967), Lacey (1970) and Ball (1981) and assesses the degree to which their work was ethnographic…

A Two-Phase Model of Resource Allocation in Visual Working Memory

ERIC Educational Resources Information Center

Ye, Chaoxiong; Hu, Zhonghua; Li, Hong; Ristaniemi, Tapani; Liu, Qiang; Liu, Taosheng

2017-01-01

Two broad theories of visual working memory (VWM) storage have emerged from current research, a discrete slot-based theory and a continuous resource theory. However, neither the discrete slot-based theory or continuous resource theory clearly stipulates how the mental commodity for VWM (discrete slot or continuous resource) is allocated.…

Towards an M5-brane model I: A 6d superconformal field theory

NASA Astrophysics Data System (ADS)

Sämann, Christian; Schmidt, Lennart

2018-04-01

We present an action for a six-dimensional superconformal field theory containing a non-abelian tensor multiplet. All of the ingredients of this action have been available in the literature. We bring these pieces together by choosing the string Lie 2-algebra as a gauge structure, which we motivated in previous work. The kinematical data contains a connection on a categorified principal bundle, which is the appropriate mathematical description of the parallel transport of self-dual strings. Our action can be written down for each of the simply laced Dynkin diagrams, and each case reduces to a four-dimensional supersymmetric Yang-Mills theory with corresponding gauge Lie algebra. Our action also reduces nicely to an M2-brane model which is a deformation of the Aharony-Bergman-Jafferis-Maldacena (ABJM) model. While this action is certainly not the desired M5-brane model, we regard it as a key stepping stone towards a potential construction of the (2, 0)-theory.

Beyond Kohn-Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory.

PubMed

Gao, Jiali; Grofe, Adam; Ren, Haisheng; Bao, Peng

2016-12-15

A multistate density functional theory (MSDFT) is presented in which the energies and densities for the ground and excited states are treated on the same footing using multiconfigurational approaches. The method can be applied to systems with strong correlation and to correctly describe the dimensionality of the conical intersections between strongly coupled dissociative potential energy surfaces. A dynamic-then-static framework for treating electron correlation is developed to first incorporate dynamic correlation into contracted state functions through block-localized Kohn-Sham density functional theory (KSDFT), followed by diagonalization of the effective Hamiltonian to include static correlation. MSDFT can be regarded as a hybrid of wave function and density functional theory. The method is built on and makes use of the current approximate density functional developed in KSDFT, yet it retains its computational efficiency to treat strongly correlated systems that are problematic for KSDFT but too large for accurate WFT. The results presented in this work show that MSDFT can be applied to photochemical processes involving conical intersections.

Why (we think) facilitation works: insights from organizational learning theory.

PubMed

Berta, Whitney; Cranley, Lisa; Dearing, James W; Dogherty, Elizabeth J; Squires, Janet E; Estabrooks, Carole A

2015-10-06

Facilitation is a guided interactional process that has been popularized in health care. Its popularity arises from its potential to support uptake and application of scientific knowledge that stands to improve clinical and managerial decision-making, practice, and ultimately patient outcomes and organizational performance. While this popular concept has garnered attention in health services research, we know that both the content of facilitation and its impact on knowledge implementation vary. The basis of this variation is poorly understood, and understanding is hampered by a lack of conceptual clarity. In this paper, we argue that our understanding of facilitation and its effects is limited in part by a lack of clear theoretical grounding. We propose a theoretical home for facilitation in organizational learning theory. Referring to extant literature on facilitation and drawing on theoretical literature, we discuss the features of facilitation that suggest its role in contributing to learning capacity. We describe how facilitation may contribute to generating knowledge about the application of new scientific knowledge in health-care organizations. Facilitation's promise, we suggest, lies in its potential to stimulate higher-order learning in organizations through experimenting with, generating learning about, and sustaining small-scale adaptations to organizational processes and work routines. The varied effectiveness of facilitation observed in the literature is associated with the presence or absence of factors known to influence organizational learning, since facilitation itself appears to act as a learning mechanism. We offer propositions regarding the relationships between facilitation processes and key organizational learning concepts that have the potential to guide future work to further our understanding of the role that facilitation plays in learning and knowledge generation.

Global solutions of restricted open-shell Hartree-Fock theory from semidefinite programming with applications to strongly correlated quantum systems.

PubMed

Veeraraghavan, Srikant; Mazziotti, David A

2014-03-28

We present a density matrix approach for computing global solutions of restricted open-shell Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems. While wave function approaches to Hartree-Fock theory yield an upper bound to the Hartree-Fock energy, we derive a semidefinite relaxation of Hartree-Fock theory that yields a rigorous lower bound on the Hartree-Fock energy. We also develop an upper-bound algorithm in which Hartree-Fock theory is cast as a SDP with a nonconvex constraint on the rank of the matrix variable. Equality of the upper- and lower-bound energies guarantees that the computed solution is the globally optimal solution of Hartree-Fock theory. The work extends a previously presented method for closed-shell systems [S. Veeraraghavan and D. A. Mazziotti, Phys. Rev. A 89, 010502-R (2014)]. For strongly correlated systems the SDP approach provides an alternative to the locally optimized Hartree-Fock energies and densities with a certificate of global optimality. Applications are made to the potential energy curves of C2, CN, Cr2, and NO2.

Fission fragment charge and mass distributions in 239Pu(n ,f ) in the adiabatic nuclear energy density functional theory

NASA Astrophysics Data System (ADS)

Regnier, D.; Dubray, N.; Schunck, N.; Verrière, M.

2016-05-01

Background: Accurate knowledge of fission fragment yields is an essential ingredient of numerous applications ranging from the formation of elements in the r process to fuel cycle optimization for nuclear energy. The need for a predictive theory applicable where no data are available, together with the variety of potential applications, is an incentive to develop a fully microscopic approach to fission dynamics. Purpose: In this work, we calculate the pre-neutron emission charge and mass distributions of the fission fragments formed in the neutron-induced fission of 239Pu using a microscopic method based on nuclear density functional theory (DFT). Methods: Our theoretical framework is the nuclear energy density functional (EDF) method, where large-amplitude collective motion is treated adiabatically by using the time-dependent generator coordinate method (TDGCM) under the Gaussian overlap approximation (GOA). In practice, the TDGCM is implemented in two steps. First, a series of constrained EDF calculations map the configuration and potential-energy landscape of the fissioning system for a small set of collective variables (in this work, the axial quadrupole and octupole moments of the nucleus). Then, nuclear dynamics is modeled by propagating a collective wave packet on the potential-energy surface. Fission fragment distributions are extracted from the flux of the collective wave packet through the scission line. Results: We find that the main characteristics of the fission charge and mass distributions can be well reproduced by existing energy functionals even in two-dimensional collective spaces. Theory and experiment agree typically within two mass units for the position of the asymmetric peak. As expected, calculations are sensitive to the structure of the initial state and the prescription for the collective inertia. We emphasize that results are also sensitive to the continuity of the collective landscape near scission. Conclusions: Our analysis confirms that the adiabatic approximation provides an effective scheme to compute fission fragment yields. It also suggests that, at least in the framework of nuclear DFT, three-dimensional collective spaces may be a prerequisite to reach 10% accuracy in predicting pre-neutron emission fission fragment yields.

The Information and Communication Technology User Role: Implications for the Work Role and Inter-Role Spillover.

PubMed

Piszczek, Matthew M; Pichler, Shaun; Turel, Ofir; Greenhaus, Jeffrey

2016-01-01

Management and organization research has traditionally focused on employees' work role and the interface between their work and family roles. We suggest that persons assume a third role in modern society that is relevant to work and organizations, namely the Information and Communication Technology User (ICTU) role. Based on role theory and boundary theory, we develop propositions about the characteristics of this role, as well as how ICTU role characteristics are related to boundary spanning activity, inter-role spillover with the work role, and work role performance. To this end, we first conceptualize the ICTU role and its associations with work and family roles. We then apply identity theory and boundary management theory to advance our understanding of how the ICTU role is related to criteria that are important to individuals and to organizations, namely self-selection into certain types of work roles and positive and negative inter-role spillover. The implications of this role for theory, research, and practice in management and organizations are discussed.

Nanoparticle interaction potentials constructed by multiscale computation

NASA Astrophysics Data System (ADS)

Lee, Cheng K.; Hua, Chi C.

2010-06-01

The van der Waals (vdW) potentials governing macroscopic objects have long been formulated in the context of classical theories, such as Hamaker's microscopic theory and Lifshitz's continuum theory. This work addresses the possibility of constructing the vdW interaction potentials of nanoparticle species using multiscale simulation schemes. Amorphous silica nanoparticles were considered as a benchmark example for which a series of (SiO2)n (n being an integer) has been systematically surveyed as the potential candidates of the packing units that reproduce known bulk material properties in atomistic molecular dynamics simulations. This strategy led to the identification of spherical Si6O12 molecules, later utilized as the elementary coarse-grained (CG) particles to compute the pair interaction potentials of silica nanoparticles ranging from 0.62 to 100 nm in diameter. The model nanoparticles so built may, in turn, serve as the children CG particles to construct nanoparticles assuming arbitrary sizes and shapes. Major observations are as follows. The pair interaction potentials for all the investigated spherical silica nanoparticles can be cast into a semiempirical, generalized Lennard-Jones 2α-α potential (α being a size-dependent, large integral number). In its reduced form, we discuss the implied universalities for the vdW potentials governing a certain range of amorphous nanoparticle species as well as how thermodynamic transferability can be fulfilled automatically. In view of future applications with colloidal suspensions, we briefly evaluated the vdW potential in the presence of a "screening" medium mimicking the effects of electrical double layers or grafting materials atop the nanoparticle core. The general observations shed new light on strategies to attain a microscopic control over interparticle attractions. In future perspectives, the proposed multiscale computation scheme shall help bridge the current gap between the modeling of polymer chains and macroscopic objects by introducing molecular models coarse-grained at a similar level so that the interactions between these two can be treated in a consistent and faithful way.

The development of spheroidal bodies theory for proto-planetary dynamics problem solving

NASA Astrophysics Data System (ADS)

Krot, A. M.

2007-08-01

There is not a full statistical equilibrium in a gas-dust proto-planetary cloud because of long relaxation time for proto-planet formation in own gravitational field. This protoplanetary system behavior can be described by Jeans equation in partial derivations relatively a distribution function. The problem for finding a general solution of Jeans equation is connected directly with an analytical expression for potential of gravitational field. Thus, the determination of gravitational potential is the main problem of statistical dynamics for proto-planetary system. The work shows this task of protoplanetary dynamics can be solved on the basis of spheroidal bodies theory [1]-[4]. Within the framework of this theory, cosmological bodies have fuzzy outlines and are represented by means of spheroidal forms. The proposed theory follows from the conception for forming a spheroidal body as a proto-planet from dust-like nebula; it permits to derive the form of distribution functions for an immovable spheroidal body [1],[2] and rotating one [3],[4] as well as their density masses (gravitational potentials and strengths) and also to find the distribution function of specific angular momentum for the rotating spheroidal body [4]. References: [1] A.M.Krot, Achievement in Modern Radioelectronics, 1996, no.8, pp.66-81 (in Russian). [2] A.M.Krot, Proc. SPIE's 13thAnnual Intern.Symp. "AeroSense", Orlando, Florida, USA, 1999, vol.3710, pp.1248-1259. [3] A.M.Krot, Proc. 35th COSPAR Scientific Assembly, Paris, France, 2004, Abstract A-00162. [4] A.Krot, Proc. EGU General Assembly, Vienna, Austria, 2006, Geophys. Res. Abstracts, vol.8, A-00216; SRef-ID: 1607-7962/gra/.

Goal-directed decision making as probabilistic inference: A computational framework and potential neural correlates

PubMed Central

Solway, A.; Botvinick, M.

2013-01-01

Recent work has given rise to the view that reward-based decision making is governed by two key controllers: a habit system, which stores stimulus-response associations shaped by past reward, and a goal-oriented system that selects actions based on their anticipated outcomes. The current literature provides a rich body of computational theory addressing habit formation, centering on temporal-difference learning mechanisms. Less progress has been made toward formalizing the processes involved in goal-directed decision making. We draw on recent work in cognitive neuroscience, animal conditioning, cognitive and developmental psychology and machine learning, to outline a new theory of goal-directed decision making. Our basic proposal is that the brain, within an identifiable network of cortical and subcortical structures, implements a probabilistic generative model of reward, and that goal-directed decision making is effected through Bayesian inversion of this model. We present a set of simulations implementing the account, which address benchmark behavioral and neuroscientific findings, and which give rise to a set of testable predictions. We also discuss the relationship between the proposed framework and other models of decision making, including recent models of perceptual choice, to which our theory bears a direct connection. PMID:22229491

Social Norms and Adolescents' Sexual Health: An Introduction for Practitioners Working in Low and Mid-income African countries.

PubMed

Cislaghi, Beniamino; Shakya, Holly

2018-03-01

Donors, practitioners and scholars are increasingly interested in harnessing the potential of social norms theory to improve adolescents' sexual and reproductive health outcomes. However, social norms theory is multifaceted, and its application in field interventions is complex. An introduction to social norms that will be beneficial for those who intend to integrate a social norms perspective in their work to improve adolescents' sexual health in Africa is presented. First three main schools of thought on social norms, looking at the theoretical standpoint of each, are discussed. Next, the difference between two important types of social norms (descriptive and injunctive) is explained and then the concept of a -reference group‖ is examined. The difference between social and gender norms are then considered, highlighting how this difference is motivated by existing yet contrasting approaches to norms (in social psychology and gender theory). In the last section, existing evidence on the role that social norms play in influencing adolescents' sexual and reproductive health are reviewed. Conclusions call for further research and action to understand how norms affecting adolescents' sexual and reproductive health and rights (SRHR) can be changed in sub-Saharan Africa.

Young Children's "Working Theories": Building and Connecting Understandings

ERIC Educational Resources Information Center

Hedges, Helen

2014-01-01

Young children are keenly motivated to inquire into and make meaning about their worlds. This article discusses "working theories", one of two indicative learning outcomes of the New Zealand early childhood curriculum, "Te Whariki". Working theories occur as children attempt to find connections between their experiences and…

Persistence: A Key Factor in Human Performance at Work.

ERIC Educational Resources Information Center

Blair, Daniel V.; Price, Donna J.

1998-01-01

Reviews the construct of persistence as it relates to achievement motivation at work. Topics include foundational concepts of persistence; achievement motivation theory; a human motivation model; goal-setting theory; self-efficacy theory; expectancy theory; task assignments; confidence; and perceived value. (LRW)

Provocative work experiences predict the acquired capability for suicide in physicians.

PubMed

Fink-Miller, Erin L

2015-09-30

The interpersonal psychological theory of suicidal behavior (IPTS) offers a potential means to explain suicide in physicians. The IPTS posits three necessary and sufficient precursors to death by suicide: thwarted belongingness, perceived burdensomeness, and acquired capability. The present study sought to examine whether provocative work experiences unique to physicians (e.g., placing sutures, withdrawing life support) would predict levels of acquired capability, while controlling for gender and painful and provocative experiences outside the work environment. Data were obtained from 376 of 7723 recruited physicians. Study measures included the Acquired Capability for Suicide Scale, the Interpersonal Needs Questionnaire, the Painful and Provocative Events Scale, and the Life Events Scale-Medical Doctors Version. Painful and provocative events outside of work predicted acquired capability (β=0.23, t=3.82, p<0.001, f(2)=0.09) as did provocative work experiences (β=0.12, t=2.05, p<0.05, f(2)=0.07). This represents the first study assessing the potential impact of unique work experiences on suicidality in physicians. Limitations include over-representation of Caucasian participants, limited representation from various specialties of medicine, and lack of information regarding individual differences. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

A new computational account of cognitive control over reinforcement-based decision-making: Modeling of a probabilistic learning task.

PubMed

Zendehrouh, Sareh

2015-11-01

Recent work on decision-making field offers an account of dual-system theory for decision-making process. This theory holds that this process is conducted by two main controllers: a goal-directed system and a habitual system. In the reinforcement learning (RL) domain, the habitual behaviors are connected with model-free methods, in which appropriate actions are learned through trial-and-error experiences. However, goal-directed behaviors are associated with model-based methods of RL, in which actions are selected using a model of the environment. Studies on cognitive control also suggest that during processes like decision-making, some cortical and subcortical structures work in concert to monitor the consequences of decisions and to adjust control according to current task demands. Here a computational model is presented based on dual system theory and cognitive control perspective of decision-making. The proposed model is used to simulate human performance on a variant of probabilistic learning task. The basic proposal is that the brain implements a dual controller, while an accompanying monitoring system detects some kinds of conflict including a hypothetical cost-conflict one. The simulation results address existing theories about two event-related potentials, namely error related negativity (ERN) and feedback related negativity (FRN), and explore the best account of them. Based on the results, some testable predictions are also presented. Copyright © 2015 Elsevier Ltd. All rights reserved.

Testing the Standard Model and Fundamental Symmetries in Nuclear Physics with Lattice QCD and Effective Field Theory

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

Walker-Loud, Andre

The research supported by this grant is aimed at probing the limits of the Standard Model through precision low-energy nuclear physics. The work of the PI (AWL) and additional personnel is to provide theory input needed for a number of potentially high-impact experiments, notably, hadronic parity violation, Dark Matter direct detection and searches for permanent electric dipole moments (EDMs) in nucleons and nuclei. In all these examples, a quantitative understanding of low-energy nuclear physics from the fundamental theory of strong interactions, Quantum Chromo-Dynamics (QCD), is necessary to interpret the experimental results. The main theoretical tools used and developed in thismore » work are the numerical solution to QCD known as lattice QCD (LQCD) and Effective Field Theory (EFT). This grant is supporting a new research program for the PI, and as such, needed to be developed from the ground up. Therefore, the first fiscal year of this grant, 08/01/2014-07/31/2015, has been spent predominantly establishing this new research effort. Very good progress has been made, although, at this time, there are not many publications to show for the effort. After one year, the PI accepted a job at Lawrence Berkeley National Laboratory, so this final report covers just a single year of five years of the grant.« less

Resonant-convergent PCM response theory for the calculation of second harmonic generation in makaluvamines A-V: pyrroloiminoquinone marine natural products from poriferans of genus Zyzzya.

PubMed

Milne, Bruce F; Norman, Patrick

2015-05-28

The first-order hyperpolarizability, β, has been calculated for a group of marine natural products, the makaluvamines. These compounds possess a common cationic pyrroloiminoquinone structure that is substituted to varying degrees. Calculations at the MP2 level indicate that makaluvamines possessing phenolic side chains conjugated with the pyrroloiminoquinone moiety display large β values, while breaking this conjugation leads to a dramatic decrease in the calculated hyperpolarizability. This is consistent with a charge-transfer donor-π-acceptor (D-π-A) structure type, characteristic of nonlinear optical chromophores. Dynamic hyperpolarizabilities calculated using resonance-convergent time-dependent density functional theory coupled to polarizable continuum model (PCM) solvation suggest that significant resonance enhancement effects can be expected for incident radiation with wavelengths around 800 nm. The results of the current work suggest that the pyrroloiminoquinone moiety represents a potentially useful new chromophore subunit, in particular for the development of molecular probes for biological imaging. The introduction of solvent-solute interactions in the theory is conventionally made in a density matrix formalism, and the present work will provide detailed account of the approximations that need to be introduced in wave function theory and our program implementation. The program implementation as such is achieved by a mere combination of existing modules from previous developments, and it is here only briefly reviewed.

Inquiring Minds, Meaningful Responses: Children's Interests, Inquiries, and Working Theories

ERIC Educational Resources Information Center

Hedges, Helen; Cooper, Maria

2014-01-01

This project/report partnered researchers with teachers from two centres to explore and theorise understandings of children's inquiries and working theories. This project investigated the following questions: (1) What is the nature and content of infants', toddlers' and young children's inquiries and working theories in relation to their everyday…

Divisions of Labour: Activity Theory, Multi-Professional Working and Intervention Research

ERIC Educational Resources Information Center

Warmington, Paul

2011-01-01

This article draws upon, but also critiques, activity theory by combining analysis of how an activity theory derived research intervention attempted to address both everyday work practices and organisational power relationships among children's services professionals. It offers two case studies of developmental work research (DWR) interventions in…

Exploring Models for Indigenizing Social Work Education in China

ERIC Educational Resources Information Center

Zhanghua, Wang; Liqun, Huang

2013-01-01

The article examines the theories of indigenization and examines the problems facing China's social work education. It shows that the quality of social work education and teaching staff is low. The curriculum emphasizes theory and overlooks practical training. "Using as is," not modifying Western theories, has remained strong. The…

Application of Attachment Theory in Clinical Social Work.

PubMed

Blakely, Thomas Joseph; Dziadosz, Gregory M

2015-11-01

This article proposes the use of attachment theory in clinical social work practice. This theory is very appropriate in this context because of its fit with social work concepts of person-in-situation, the significance of developmental history in the emergence of psychosocial problems, and the content of human behavior in the social environment. A literature review supports the significance of the theory. Included are ideas about how attachment styles and working models may be used in assessment and treatment to help clients achieve a secure attachment style.

The supersymmetric method in random matrix theory and applications to QCD

NASA Astrophysics Data System (ADS)

Verbaarschot, Jacobus

2004-12-01

The supersymmetric method is a powerful method for the nonperturbative evaluation of quenched averages in disordered systems. Among others, this method has been applied to the statistical theory of S-matrix fluctuations, the theory of universal conductance fluctuations and the microscopic spectral density of the QCD Dirac operator. We start this series of lectures with a general review of Random Matrix Theory and the statistical theory of spectra. An elementary introduction of the supersymmetric method in Random Matrix Theory is given in the second and third lecture. We will show that a Random Matrix Theory can be rewritten as an integral over a supermanifold. This integral will be worked out in detail for the Gaussian Unitary Ensemble that describes level correlations in systems with broken time-reversal invariance. We especially emphasize the role of symmetries. As a second example of the application of the supersymmetric method we discuss the calculation of the microscopic spectral density of the QCD Dirac operator. This is the eigenvalue density near zero on the scale of the average level spacing which is known to be given by chiral Random Matrix Theory. Also in this case we use symmetry considerations to rewrite the generating function for the resolvent as an integral over a supermanifold. The main topic of the second last lecture is the recent developments on the relation between the supersymmetric partition function and integrable hierarchies (in our case the Toda lattice hierarchy). We will show that this relation is an efficient way to calculate superintegrals. Several examples that were given in previous lectures will be worked out by means of this new method. Finally, we will discuss the quenched QCD Dirac spectrum at nonzero chemical potential. Because of the nonhermiticity of the Dirac operator the usual supersymmetric method has not been successful in this case. However, we will show that the supersymmetric partition function can be evaluated by means of the replica limit of the Toda lattice equation.

An Integrated Study on a Novel High Temperature High Entropy Alloy

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

Yang, Shizhong

2016-12-31

This report summarizes our recent works of theoretical modeling, simulation, and experimental validation of the simulation results on the new refractory high entropy alloy (HEA) design and oxide doped refractory HEA research. The simulation of the stability and thermal dynamics simulation on potential thermal stable candidates were performed and related HEA with oxide doped samples were synthesized and characterized. The HEA ab initio density functional theory and molecular dynamics physical property simulation methods and experimental texture validation techniques development, achievements already reached, course work development, students and postdoc training, and future improvement research directions are briefly introduced.

Spinodal assisted growing dynamics of critical nucleus in polymer blends

NASA Astrophysics Data System (ADS)

Zhang, Xinghua; Qi, Shuanhu; Yan, Dadong

2012-11-01

In metastable polymer blends, nonclassical critical nucleus is not a drop of stable phase in core wrapped with a sharp interface, but a diffuse structure depending on the metastability. Thus, forming a critical nucleus does not mean the birth of a new phase. In the present work, the nonclassical growing dynamics of the critical nucleus is addressed in the metastable polymer blends by incorporating self-consistent field theory and external potential dynamics theory, which leads to an intuitionistic description for the scattering experiments. The results suggest that the growth of nonclassical critical nucleus is controlled by the spinodal-decomposition which happens in the region surrounding the nucleus. This leads to forming the shell structures around the nucleus.

'Broken hospital windows': debating the theory of spreading disorder and its application to healthcare organizations.

PubMed

Churruca, Kate; Ellis, Louise A; Braithwaite, Jeffrey

2018-03-22

Research in criminology and social-psychology supports the idea that visible signs of disorder, both physical and social, may perpetuate further disorder, leading to neighborhood incivilities, petty violations, and potentially criminal behavior. This theory of 'broken windows' has now also been applied to more enclosed environments, such as organizations. This paper debates whether the premise of broken windows theory, and the concept of 'disorder', might also have utility in the context of health services. There is already a body of work on system migration, which suggests a role for violations and workarounds in normalizing unwarranted deviations from safe practices in healthcare organizations. Studies of visible disorder may be needed in healthcare, where the risks of norm violations and disorderly environments, and potential for harm to patients, are considerable. Everyday adjustments and flexibility is mostly beneficial, but in this paper, we ask: how might deviations from the norm escalate from necessary workarounds to risky violations in care settings? Does physical or social disorder in healthcare contexts perpetuate further disorder, leading to downstream effects, including increased risk of harm to patients? We advance a model of broken windows in healthcare, and a proposal to study this phenomenon.

The process of adopting and incorporating simulation into undergraduate nursing curricula: a grounded theory study.

PubMed

Taplay, Karyn; Jack, Susan M; Baxter, Pamela; Eva, Kevin; Martin, Lynn

2015-01-01

The aim of this study is to explain the process of adopting and incorporating simulation as a teaching strategy in undergraduate nursing programs, define uptake, and discuss potential outcomes. In many countries, simulation is increasingly adopted as a common teaching strategy. However, there is a dearth of knowledge related to the process of adoption and incorporation. We used an interpretive, constructivist approach to grounded theory to guide this research study. We conducted the study was in Ontario, Canada, during 2011-2012. Using multiple data sources, we informed the development of this theory including in-depth interviews (n = 43) and a review of key organizational documents, such as mission and vision statements (n = 67) from multiple nursing programs (n = 13). The adoption and uptake of mid- to high-fidelity simulation equipment is a multistep iterative process involving various organizational levels within the institution that entails a seven-phase process: (a) securing resources, (b) nursing leaders working in tandem, (c) getting it out of the box, (d) learning about simulation and its potential for teaching, (e) finding a fit, (f) trialing the equipment, and (g) integrating into the curriculum. These findings could assist nursing programs in Canada and internationally that wish to adopt or further incorporate simulation into their curricula and highlight potential organizational and program level outcomes. Crown Copyright © 2015. Published by Elsevier Inc. All rights reserved.

Density functional theory calculations of III-N based semiconductors with mBJLDA

NASA Astrophysics Data System (ADS)

Gürel, Hikmet Hakan; Akıncı, Özden; Ünlü, Hilmi

2017-02-01

In this work, we present first principles calculations based on a full potential linear augmented plane-wave method (FP-LAPW) to calculate structural and electronic properties of III-V based nitrides such as GaN, AlN, InN in a zinc-blende cubic structure. First principles calculation using the local density approximation (LDA) and generalized gradient approximation (GGA) underestimate the band gap. We proposed a new potential called modified Becke-Johnson local density approximation (MBJLDA) that combines modified Becke-Johnson exchange potential and the LDA correlation potential to get better band gap results compared to experiment. We compared various exchange-correlation potentials (LSDA, GGA, HSE, and MBJLDA) to determine band gaps and structural properties of semiconductors. We show that using MBJLDA density potential gives a better agreement with experimental data for band gaps III-V nitrides based semiconductors.

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.

The Psychology of Working Theory.

PubMed

Duffy, Ryan D; Blustein, David L; Diemer, Matthew A; Autin, Kelsey L

2016-03-01

In the current article, we build on research from vocational psychology, multicultural psychology, intersectionality, and the sociology of work to construct an empirically testable Psychology of Working Theory (PWT). Our central aim is to explain the work experiences of all individuals, but particularly people near or in poverty, people who face discrimination and marginalization in their lives, and people facing challenging work-based transitions for which contextual factors are often the primary drivers of the ability to secure decent work. The concept of decent work is defined and positioned as the central variable within the theory. A series of propositions is offered concerning (a) contextual predictors of securing decent work, (b) psychological and economic mediators and moderators of these relations, and (c) outcomes of securing decent work. Recommendations are suggested for researchers seeking to use the theory and practical implications are offered concerning counseling, advocacy, and public policy. (c) 2016 APA, all rights reserved).

Theory testing in prehistoric North America: fruits of one of the world's great archeological natural laboratories.

PubMed

Bingham, Paul M; Souza, Joanne

2013-01-01

This paper has several interconnected goals. First and most generally, we will review the project represented by the papers in this dedicated issue and the SAA Symposium (2012) on Social Complexity and the Bow. This project centers on the ever-stronger and broader theory testing now becoming feasible in archeology and anthropology, in this case exploiting the unique natural laboratory represented by what we refer to as the North American Neolithic transitions. Second, we will strive to synopsize the papers in this issue as opportunities to falsify two general theories of the cause of increases in social complexity associated with the North American Neolithic: warfare and social coercion theories.(1) We argue that, though much work remains to be done, the current evidence supports one of the central predictions of both these theories, that the local arrival of elite bow technology was a central driver of local transitions to increased social complexity. This conclusion, if ultimately verified, has profound implications for the possibility of general theories of history. Third, we will argue that several important details of this evidence falsify warfare theory and support (fail to falsify) social coercion theory (the authors' favored perspective). Moreover, several potential falsifications of social coercion theory are amenable to alternative interpretations, leading to new falsifiable predictions. Finally, we discuss how interactions with our colleagues in this project produced new insights into several details of the predictions of social coercion theory, improving our interpretative capacity. Copyright © 2013 Wiley Periodicals, Inc.

Improving the Impact and Implementation of Disaster Education: Programs for Children Through Theory-Based Evaluation.

PubMed

Johnson, Victoria A; Ronan, Kevin R; Johnston, David M; Peace, Robin

2016-11-01

A main weakness in the evaluation of disaster education programs for children is evaluators' propensity to judge program effectiveness based on changes in children's knowledge. Few studies have articulated an explicit program theory of how children's education would achieve desired outcomes and impacts related to disaster risk reduction in households and communities. This article describes the advantages of constructing program theory models for the purpose of evaluating disaster education programs for children. Following a review of some potential frameworks for program theory development, including the logic model, the program theory matrix, and the stage step model, the article provides working examples of these frameworks. The first example is the development of a program theory matrix used in an evaluation of ShakeOut, an earthquake drill practiced in two Washington State school districts. The model illustrates a theory of action; specifically, the effectiveness of school earthquake drills in preventing injuries and deaths during disasters. The second example is the development of a stage step model used for a process evaluation of What's the Plan Stan?, a voluntary teaching resource distributed to all New Zealand primary schools for curricular integration of disaster education. The model illustrates a theory of use; specifically, expanding the reach of disaster education for children through increased promotion of the resource. The process of developing the program theory models for the purpose of evaluation planning is discussed, as well as the advantages and shortcomings of the theory-based approaches. © 2015 Society for Risk Analysis.

Potential flow about elongated bodies of revolution

NASA Technical Reports Server (NTRS)

Kaplan, Carl

1936-01-01

This report presents a method of solving the problem of axial and transverse potential flows around arbitrary elongated bodies of revolution. The solutions of Laplace's equation for the velocity potentials of the axial and transverse flows, the system of coordinates being an elliptic one in a meridian plane, are given. The theory is applied to a body of revolution obtained from a symmetrical Joukowsky profile, a shape resembling an airship hull. The pressure distribution and the transverse-force distribution are calculated and serve as examples of the procedure to be followed in the case of an actual airship. A section on the determination of inertia coefficients is also included in which the validity of some earlier work is questioned.

A potential method for lift evaluation from velocity field data

NASA Astrophysics Data System (ADS)

de Guyon-Crozier, Guillaume; Mulleners, Karen

2017-11-01

Computing forces from velocity field measurements is one of the challenges in experimental aerodynamics. This work focuses on low Reynolds flows, where the dynamics of the leading and trailing edge vortices play a major role in lift production. Recent developments in 2D potential flow theory, using discrete vortex models, have shown good results for unsteady wing motions. A method is presented to calculate lift from experimental velocity field data using a discrete vortex potential flow model. The model continuously adds new point vortices at leading and trailing edges whose circulations are set directly from vorticity measurements. Forces are computed using the unsteady Blasius equation and compared with measured loads.

Assessing the Utility of Work Team Theory in a Unified Command Environment at Catastrophic Incidents

DTIC Science & Technology

2005-03-01

between agencies that potentially affects command post (CP) interactions . All of the foregoing factors contribute to a turbulent management environment...requiring special strategy consideration with and IMT preparation. “Conflict refers to a process of social interaction involving a struggle over...from interactions . These schemas can be grouped as cultural norms perpetuated generationally from seasoned officers to raw recruits, and shared by

Generalized formula for electron emission taking account of the polaron effect

NASA Astrophysics Data System (ADS)

Barengolts, Yu A.; Beril, S. I.; Barengolts, S. A.

2018-01-01

A generalized formula is derived for the electron emission current as a function of temperature, field, and electron work function in a metal-dielectric system that takes account of the quantum nature of the image forces. In deriving the formula, the Fermi-Dirac distribution for electrons in a metal and the quantum potential of the image obtained in the context of electron polaron theory are used.

Testing the nonlocal kinetic energy functional of an inhomogeneous, two-dimensional degenerate Fermi gas within the average density approximation

NASA Astrophysics Data System (ADS)

Towers, J.; van Zyl, B. P.; Kirkby, W.

2015-08-01

In a recent paper [B. P. van Zyl et al., Phys. Rev. A 89, 022503 (2014), 10.1103/PhysRevA.89.022503], the average density approximation (ADA) was implemented to develop a parameter-free, nonlocal kinetic energy functional to be used in the orbital-free density functional theory of an inhomogeneous, two-dimensional (2D) Fermi gas. In this work, we provide a detailed comparison of self-consistent calculations within the ADA with the exact results of the Kohn-Sham density functional theory and the elementary Thomas-Fermi (TF) approximation. We demonstrate that the ADA for the 2D kinetic energy functional works very well under a wide variety of confinement potentials, even for relatively small particle numbers. Remarkably, the TF approximation for the kinetic energy functional, without any gradient corrections, also yields good agreement with the exact kinetic energy for all confining potentials considered, although at the expense of the spatial and kinetic energy densities exhibiting poor pointwise agreement, particularly near the TF radius. Our findings illustrate that the ADA kinetic energy functional yields accurate results for both the local and global equilibrium properties of an inhomogeneous 2D Fermi gas, without the need for any fitting parameters.

Precision measurement of the n-3He incoherent scattering length using neutron interferometry.

PubMed

Huber, M G; Arif, M; Black, T C; Chen, W C; Gentile, T R; Hussey, D S; Pushin, D A; Wietfeldt, F E; Yang, L

2009-05-22

We report the first measurement of the low-energy neutron-(3)He incoherent scattering length using neutron interferometry: b_{i};{'} = (-2.512 +/- 0.012 stat +/- 0.014 syst) fm. This is in good agreement with a recent calculation using the AV18 + 3N potential. The neutron-(3)He scattering lengths are important for testing and developing nuclear potential models that include three-nucleon forces, effective field theories for few-body nuclear systems, and neutron scattering measurements of quantum excitations in liquid helium. This work demonstrates the first use of a polarized nuclear target in a neutron interferometer.

Complex Possibilities: "Working Theories" as an Outcome for the Early Childhood Curriculum

ERIC Educational Resources Information Center

Hargraves, Vicki

2014-01-01

"Working theories" are described as one of the two principal outcomes of Te Whariki, the early childhood curriculum in Aotearoa New Zealand. Despite its prominence as a curricular outcome, the theoretical positioning of the concept of working theory remains relatively undebated, with researchers readily attributing the term to a…

Towards an analytical theory of social change: the case of China.

PubMed

Liu, Serena

2006-09-01

Lockwood argues that contradiction between the core institutional order and the material substructure of a society gives rise to potential social relationships which constitute a threat to the existing institutional order and may lead to change in the type of the society. Parkin, in particular, has advocated the application of the idea to the study of socialist societies. However, the situation of socialist China opposes Lockwood's view in that the new social relationships arising from the changing economic system do not pose a threat to the existing political system. Moreover, Lockwood underdevelops the connection between human action and social structure and does not theorize the mechanism linking system weakness and social change. This article formulates an alternative perspective by building on Giddens's structuration theory and Mouzelis's work on sociological theory. The theoretical framework is applied to China to give a flavour of how social change can be studied.

Primordial magnetic fields from a non-singular bouncing cosmology

NASA Astrophysics Data System (ADS)

Membiela, Federico Agustín

2014-08-01

Although inflation is a natural candidate to generate the lengths of coherence of magnetic fields needed to explain current observations, it needs to break conformal invariance of electromagnetism to obtain significant magnetic amplitudes. Of the simplest realizations are the kinetically-coupled theories f2(ϕ)FμνF (or IFF theories). However, these are known to suffer from electric fields backreaction or the strong coupling problem. In this work we shall confirm that such class of theories are problematic to support magnetogenesis during inflationary cosmology. On the contrary, we show that a bouncing cosmology with a contracting phase dominated by an equation of state with p>-ρ/3 can support magnetogenesis, evading the backreaction/strong-coupling problem. Finally, we study safe magnetogenesis in a particular bouncing model with an ekpyrotic-like contracting phase. In this case we found that f2(ϕ)F2-instabilities might arise during the final kinetic-driven expanding phase for steep ekpyrotic potentials.

Similitude design for the vibration problems of plates and shells: A review

NASA Astrophysics Data System (ADS)

Zhu, Yunpeng; Wang, You; Luo, Zhong; Han, Qingkai; Wang, Deyou

2017-06-01

Similitude design plays a vital role in the analysis of vibration and shock problems encountered in large engineering equipment. Similitude design, including dimensional analysis and governing equation method, is founded on the dynamic similitude theory. This study reviews the application of similitude design methods in engineering practice and summarizes the major achievements of the dynamic similitude theory in structural vibration and shock problems in different fields, including marine structures, civil engineering structures, and large power equipment. This study also reviews the dynamic similitude design methods for thin-walled and composite material plates and shells, including the most recent work published by the authors. Structure sensitivity analysis is used to evaluate the scaling factors to attain accurate distorted scaling laws. Finally, this study discusses the existing problems and the potential of the dynamic similitude theory for the analysis of vibration and shock problems of structures.

Attachment and adolescent depression: the impact of early attachment experiences.

PubMed

Shaw, Samantha K; Dallos, Rudi

2005-12-01

Bowlby's (1969/1982) ideas of attachment as an interactional system provide the basis for an understanding of the development of adaptive and maladaptive working models of the self and other. More specifically, attachment theory can offer an in-depth understanding into the development of a depressotypic self-schema. Attachment theory is set alongside research into adolescent depression in order to illustrate the importance of the primary attachment relationship in protecting adolescents in our society from developing depressive symptomatology. Therefore, current research in adolescent depression is viewed through the lens of attachment theory. This view is complemented by an exploration of the role of culture in the production of gender differences in depression. Thus, a tripartite model of adolescent depression, including the individual, family relationships, and socio-cultural factors is offered as being of potential value for clinicians and researchers in this area.

Supersonic wing and wing-body shape optimization using an adjoint formulation

NASA Technical Reports Server (NTRS)

Reuther, James; Jameson, Antony

1995-01-01

This paper describes the implementation of optimization techniques based on control theory for wing and wing-body design of supersonic configurations. The work represents an extension of our earlier research in which control theory is used to devise a design procedure that significantly reduces the computational cost by employing an adjoint equation. In previous studies it was shown that control theory could be used toeviseransonic design methods for airfoils and wings in which the shape and the surrounding body-fitted mesh are both generated analytically, and the control is the mapping function. The method has also been implemented for both transonic potential flows and transonic flows governed by the Euler equations using an alternative formulation which employs numerically generated grids, so that it can treat more general configurations. Here results are presented for three-dimensional design cases subject to supersonic flows governed by the Euler equation.

The Mathematics of Dispatchability, Revisited

NASA Technical Reports Server (NTRS)

Morris, Paul

2016-01-01

Dispatchability is an important property for the efficient execution of temporal plans where the temporal constraints are represented as a Simple Temporal Network (STN). It has been shown that every STN may be reformulated as a dispatchable STN, and dispatchability ensures that the temporal constraints need only be satisfied locally during execution. Recently, it has also been shown that Simple Temporal Networks with Uncertainty, augmented with wait edges, are Dynamically Controllable provided every projection is dispatchable. Thus, dispatchability has considerable theoretical as well as practical significance. One thing that hampers further work in this area is the underdeveloped theory. Moreover, the existing foundation is inadequate in certain respects. In this paper, we develop a new mathematical theory of dispatchability and its relationship to execution. We also provide several characterizations of dispatchability, including characterizations in terms of the structural properties of the STN graph. This facilitates the potential application of the theory to other areas.

The Mathematics of Dispatchability Revisited

NASA Technical Reports Server (NTRS)

Morris, Paul

2016-01-01

Dispatchability is an important property for the efficient execution of temporal plans where the temporal constraints are represented as a Simple Temporal Network (STN). It has been shown that every STN may be reformulated as a dispatchable STN, and dispatchability ensures that the temporal constraints need only be satisfied locally during execution. Recently it has also been shown that Simple Temporal Networks with Uncertainty, augmented with wait edges, are Dynamically Controllable provided every projection is dispatchable. Thus, the dispatchability property has both theoretical and practical interest. One thing that hampers further work in this area is the underdeveloped theory. The existing definitions are expressed in terms of algorithms, and are less suitable for mathematical proofs. In this paper, we develop a new formal theory of dispatchability in terms of execution sequences. We exploit this to prove a characterization of dispatchability involving the structural properties of the STN graph. This facilitates the potential application of the theory to uncertainty reasoning.

Topics in electromagnetic, acoustic, and potential scattering theory

NASA Astrophysics Data System (ADS)

Nuntaplook, Umaporn

With recent renewed interest in the classical topics of both acoustic and electromagnetic aspects for nano-technology, transformation optics, fiber optics, metamaterials with negative refractive indices, cloaking and invisibility, the topic of time-independent scattering theory in quantum mechanics is becoming a useful field to re-examine in the above contexts. One of the key areas of electromagnetic theory scattering of plane electromagnetic waves --- is based on the properties of the refractive indices in the various media. It transpires that the refractive index of a medium and the potential in quantum scattering theory are intimately related. In many cases, understanding such scattering in radially symmetric media is sufficient to gain insight into scattering in more complex media. Meeting the challenge of variable refractive indices and possibly complicated boundary conditions therefore requires accurate and efficient numerical methods, and where possible, analytic solutions to the radial equations from the governing scalar and vector wave equations (in acoustics and electromagnetic theory, respectively). Until relatively recently, researchers assumed a constant refractive index throughout the medium of interest. However, the most interesting and increasingly useful cases are those with non-constant refractive index profiles. In the majority of this dissertation the focus is on media with piecewise constant refractive indices in radially symmetric media. The method discussed is based on the solution of Maxwell's equations for scattering of plane electromagnetic waves from a dielectric (or "transparent") sphere in terms of the related Helmholtz equation. The main body of the dissertation (Chapters 2 and 3) is concerned with scattering from (i) a uniform spherical inhomogeneity embedded in an external medium with different properties, and (ii) a piecewise-uniform central inhomogeneity in the external medium. The latter results contain a natural generalization of the former (previously known) results. The link with time-independent quantum mechanical scattering, via morphology-dependent resonances (MDRs), is discussed in Chapter 2. This requires a generalization of the classical problem for scattering of a plane wave from a uniform spherically-symmetric inhomogeneity (in which the velocity of propagation is a function only of the radial coordinate r. i.e.. c = c(r)) to a piecewise-uniform inhomogeneity. In Chapter 3 the Jost-function formulation of potential scattering theory is used to solve the radial differential equation for scattering which can be converted into an integral equation corresponding via the Jost boundary conditions. The first two iterations for the zero angular momentum case l = 0 are provided for both two-layer and three-layer models. It is found that the iterative technique is most useful for long wavelengths and sufficiently small ratios of interior and exterior wavenumbers. Exact solutions are also provided for these cases. In Chapter 4 the time-independent quantum mechanical 'connection' is exploited further by generalizing previous work on a spherical well potential to the case where a delta 'function' potential is appended to the exterior of the well (for l ≠ 0). This corresponds to an idealization of the former approach to the case of a 'coated sphere'. The poles of the associated 'S-matrix' are important in this regard, since they correspond directly with the morphology-dependent resonances discussed in Chapter 2. These poles (for the l = 0 case, to compare with Nussenzveig's analysis) are tracked in the complex wavenumber plane as the strength of the delta function potential changes. Finally, a set of 4 Appendices is provided to clarify some of the connections between (i) the scattering of acoustic/electromagnetic waves from a penetrable/dielectric sphere and (ii) time-independent potential scattering theory in quantum mechanics. This, it is hoped, will be the subject of future work.

A national survey of emergency nurses and avian influenza threat.

PubMed

Bell, Mary Ann; Dake, Joseph A; Price, James H; Jordan, Timothy R; Rega, Paul

2014-05-01

The purpose of this study was to determine the perceived likelihood of emergency nurses reporting to work during an avian influenza outbreak, to consider options if nurses decided not to report work, and to explore Protection Motivation Theory constructs as predictors of reporting to work. A descriptive, nonexperimental, cross-sectional survey of emergency nurses within the United States. A total of 332 nurses (46%) responded. Most emergency nurses (84%) reported they would report to work (1 in 6 would not). The likelihood of reporting to work differed by education level, nurses' avian influenza information sources, and nurses who had family living with them. Of the nurses who decided not to report to work, the majority were willing to provide health information (90%), administer vaccinations (82%), and triage (74%) neighbors/friends from home. One third of nurses had not attended a disaster-preparedness drill within the past year. Only 20% identified formal training while on the job as a source of avian influenza information. A third of emergency nurses would be worried about getting an avian influenza vaccination because of potential adverse effects. Protection Motivation Theory accounted for almost 40% of the variance of likelihood to report to work, with response costs being the largest predictor. Disaster drills, avian influenza job training, and vaccination education are necessary to prepare emergency nurses for an outbreak. The findings support emergency nurses' willingness to work from home if they are unable to report to work. This finding is new and may have implications for disaster planning, staffing, and ED operations. Copyright © 2014 Emergency Nurses Association. Published by Mosby, Inc. All rights reserved.

The Information and Communication Technology User Role: Implications for the Work Role and Inter-Role Spillover

PubMed Central

Piszczek, Matthew M.; Pichler, Shaun; Turel, Ofir; Greenhaus, Jeffrey

2016-01-01

Management and organization research has traditionally focused on employees’ work role and the interface between their work and family roles. We suggest that persons assume a third role in modern society that is relevant to work and organizations, namely the Information and Communication Technology User (ICTU) role. Based on role theory and boundary theory, we develop propositions about the characteristics of this role, as well as how ICTU role characteristics are related to boundary spanning activity, inter-role spillover with the work role, and work role performance. To this end, we first conceptualize the ICTU role and its associations with work and family roles. We then apply identity theory and boundary management theory to advance our understanding of how the ICTU role is related to criteria that are important to individuals and to organizations, namely self-selection into certain types of work roles and positive and negative inter-role spillover. The implications of this role for theory, research, and practice in management and organizations are discussed. PMID:28082936

Large-scale structure in brane-induced gravity. I. Perturbation theory

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

Scoccimarro, Roman

2009-11-15

We study the growth of subhorizon perturbations in brane-induced gravity using perturbation theory. We solve for the linear evolution of perturbations taking advantage of the symmetry under gauge transformations along the extra-dimension to decouple the bulk equations in the quasistatic approximation, which we argue may be a better approximation at large scales than thought before. We then study the nonlinearities in the bulk and brane equations, concentrating on the workings of the Vainshtein mechanism by which the theory becomes general relativity (GR) at small scales. We show that at the level of the power spectrum, to a good approximation, themore » effect of nonlinearities in the modified gravity sector may be absorbed into a renormalization of the gravitational constant. Since the relation between the lensing potential and density perturbations is entirely unaffected by the extra physics in these theories, the modified gravity can be described in this approximation by a single function, an effective gravitational constant for nonrelativistic motion that depends on space and time. We develop a resummation scheme to calculate it, and provide predictions for the nonlinear power spectrum. At the level of the large-scale bispectrum, the leading order corrections are obtained by standard perturbation theory techniques, and show that the suppression of the brane-bending mode leads to characteristic signatures in the non-Gaussianity generated by gravity, generic to models that become GR at small scales through second-derivative interactions. We compare the predictions in this work to numerical simulations in a companion paper.« less

Differences Between a Single- and a Double-Folding Nucleus-^{9}Be Optical Potential

NASA Astrophysics Data System (ADS)

Bonaccorso, A.; Carstoiu, F.; Charity, R. J.; Kumar, R.; Salvioni, G.

2016-05-01

We have recently constructed two very successful n-^9Be optical potentials (Bonaccorso and Charity in Phys Rev C89:024619, 2014). One by the Dispersive Optical Model (DOM) method and the other (AB) fully phenomenological. The two potentials have strong surface terms in common for both the real and the imaginary parts. This feature makes them particularly suitable to build a single-folded (light-) nucleus-^9Be optical potential by using ab-initio projectile densities such as those obtained with the VMC method (Wiringa http://www.phy.anl.gov/theory/research/density/). On the other hand, a VMC density together with experimental nucleon-nucleon cross-sections can be used also to obtain a neutron and/or proton-^9Be imaginary folding potential. We will use here an ab-initio VMC density (Wiringa http://www.phy.anl.gov/theory/research/density/) to obtain both a n-^9Be single-folded potential and a nucleus-nucleus double-folded potential. In this work we report on the cases of ^8B, ^8Li and ^8C projectiles. Our approach could be the basis for a systematic study of optical potentials for light exotic nuclei scattering on such light targets. Some of the projectiles studied are cores of other exotic nuclei for which neutron knockout has been used to extract spectroscopic information. For those cases, our study will serve to make a quantitative assessment of the core-target part of the reaction description, in particular its localization.

Quantum Chemical Studies of Actinides and Lanthanides: From Small Molecules to Nanoclusters

NASA Astrophysics Data System (ADS)

Vlaisavljevich, Bess

Research into actinides is of high interest because of their potential applications as an energy source and for the environmental implications therein. Global concern has arisen since the development of the actinide concept in the 1940s led to the industrial scale use of the commercial nuclear energy cycle and nuclear weapons production. Large quantities of waste have been generated from these processes inspiring efforts to address fundamental questions in actinide science. In this regard, the objective of this work is to use theory to provide insight and predictions into actinide chemistry, where experimental work is extremely challenging because of the intrinsic difficulties of the experiments themselves and the safety issues associated with this type of chemistry. This thesis is a collection of theoretical studies of actinide chemistry falling into three categories: quantum chemical and matrix isolation studies of small molecules, the electronic structure of organoactinide systems, and uranyl peroxide nanoclusters and other solid state actinide compounds. The work herein not only spans a wide range of systems size but also investigates a range of chemical problems. Various quantum chemical approaches have been employed. Wave function-based methods have been used to study the electronic structure of actinide containing molecules of small to middle-size. Among these methods, the complete active space self consistent field (CASSCF) approach with corrections from second-order perturbation theory (CASPT2), the generalized active space SCF (GASSCF) approach, and Moller-Plesset second-order perturbation theory (MP2) have been employed. Likewise, density functional theory (DFT) has been used along with analysis tools like bond energy decomposition, bond orders, and Bader's Atoms in Molecules. From these quantum chemical results, comparison with experimentally obtained structures and spectra are made.

Orientation dependent ionization potential of In2O3: a natural source for inhomogeneous barrier formation at electrode interfaces in organic electronics.

PubMed

Hohmann, Mareike V; Ágoston, Péter; Wachau, André; Bayer, Thorsten J M; Brötz, Joachim; Albe, Karsten; Klein, Andreas

2011-08-24

The ionization potentials of In(2)O(3) films grown epitaxially by magnetron sputtering on Y-stabilized ZrO(2) substrates with (100) and (111) surface orientation are determined using photoelectron spectroscopy. Epitaxial growth is verified using x-ray diffraction. The observed ionization potentials, which directly affect the work functions, are in good agreement with ab initio calculations using density functional theory. While the (111) surface exhibits a stable surface termination with an ionization potential of ∼ 7.0 eV, the surface termination and the ionization potential of the (100) surface depend strongly on the oxygen chemical potential. With the given deposition conditions an ionization potential of ∼ 7.7 eV is obtained, which is attributed to a surface termination stabilized by oxygen dimers. This orientation dependence also explains the lower ionization potentials observed for In(2)O(3) compared to Sn-doped In(2)O(3) (ITO) (Klein et al 2009 Thin Solid Films 518 1197-203). Due to the orientation dependent ionization potential, a polycrystalline ITO film will exhibit a laterally varying work function, which results in an inhomogeneous charge injection into organic semiconductors when used as electrode material. The variation of work function will become even more pronounced when oxygen plasma or UV-ozone treatments are performed, as an oxidation of the surface is only possible for the (100) surface. The influence of the deposition technique on the formation of stable surface terminations is also discussed. © 2011 IOP Publishing Ltd

Kant and the cosmetic surgeon.

PubMed

Carey, J S

1989-07-01

Philosophers know that modern philosophy owes a great debt to the intellectual contributions of the 18th century philosopher Immanuel Kant. This essay attempts to show how cosmetic surgeons, and all surgeons at that, could learn much from his work. Not only did Kant write about the structure of human reasoning and how it relates to appearances but he also wrote about the nature of duties and other obligations. His work has strongly influenced medical ethics. In a more particular way, Kant wrote the most important work on aesthetics. His theory still influences how philosophers understand the meaning of the beautiful and how it pertains to the human figure. This essay presents an exercise in trying to apply Kantian philosophy to aesthetic plastic surgery. Its intention is to show cosmetic surgeons some of the implicit and explicit philosophical principles and potential arguments undergirding their potential surgical evaluations. It is meant to challenge the surgeon to reconsider how decisions are made using philosophical reasoning instead of some of the more usual justifications based on psychology or sociology.

Reincentivizing--a new theory of work and work absence.

PubMed

Thulesius, Hans O; Grahn, Birgitta E

2007-07-03

Work capacity correlates weakly to disease concepts, which in turn are insufficient to explain sick leave behavior. With data mainly from Sweden, a welfare state with high sickness absence rates, our aim was to develop an explanatory theory of how to understand and deal with work absence and sick leave. We used classic grounded theory for analyzing data from >130 interviews with people working or on sick leave, physicians, social security officers, and literature. Several hundreds of typed and handwritten memos were the basis for writing up the theory. In this paper we present a theory of work incentives and how to deal with work absence. We suggest that work disability can be seen as hurt work drivers or people caught in mode traps. Work drivers are specified as work capacities + work incentives, monetary and non-monetary. Also, people can get trapped in certain modes of behavior through changed capacities or incentives, or by inertia. Different modes have different drivers and these can trap the individual from reincentivizing, ie from going back to work or go on working. Hurt drivers and mode traps are recognized by driver assessments done on several different levels. Mode driver calculations are done by the worker. Then follows employer, physician, and social insurance officer assessments. Also, driver assessments are done on the macro level by legislators and other stakeholders. Reincentivizing is done by different repair strategies for hurt work drivers such as body repair, self repair, work-place repair, rehumanizing, controlling sick leave insurance, and strengthening monetary work incentives. Combinations of these driver repair strategies also do release people from mode traps. Reincentivizing is about recognizing hurt work drivers and mode traps followed by repairing and releasing the same drivers and traps. Reincentivizing aims at explaining what is going on when work absence is dealt with and the theory may add to social psychological research on work and work absence, and possibly inform sick leave policies.

Reincentivizing – a new theory of work and work absence

PubMed Central

Thulesius, Hans O; Grahn, Birgitta E

2007-01-01

Background Work capacity correlates weakly to disease concepts, which in turn are insufficient to explain sick leave behavior. With data mainly from Sweden, a welfare state with high sickness absence rates, our aim was to develop an explanatory theory of how to understand and deal with work absence and sick leave. Methods We used classic grounded theory for analyzing data from >130 interviews with people working or on sick leave, physicians, social security officers, and literature. Several hundreds of typed and handwritten memos were the basis for writing up the theory. Results In this paper we present a theory of work incentives and how to deal with work absence. We suggest that work disability can be seen as hurt work drivers or people caught in mode traps. Work drivers are specified as work capacities + work incentives, monetary and non-monetary. Also, people can get trapped in certain modes of behavior through changed capacities or incentives, or by inertia. Different modes have different drivers and these can trap the individual from reincentivizing, ie from going back to work or go on working. Hurt drivers and mode traps are recognized by driver assessments done on several different levels. Mode driver calculations are done by the worker. Then follows employer, physician, and social insurance officer assessments. Also, driver assessments are done on the macro level by legislators and other stakeholders. Reincentivizing is done by different repair strategies for hurt work drivers such as body repair, self repair, work-place repair, rehumanizing, controlling sick leave insurance, and strengthening monetary work incentives. Combinations of these driver repair strategies also do release people from mode traps. Conclusion Reincentivizing is about recognizing hurt work drivers and mode traps followed by repairing and releasing the same drivers and traps. Reincentivizing aims at explaining what is going on when work absence is dealt with and the theory may add to social psychological research on work and work absence, and possibly inform sick leave policies. PMID:17608942

Numerical exploration of the string theory landscape

NASA Astrophysics Data System (ADS)

Metallinos, Konstantinos

String theory is the best candidate to provide a consistent quantum theory of gravity. Its ten dimensional formulation forces us to perform a compactification of the six unobserved dimensions in a very special compact manifold known as Calabi-Yau. The standard way to address this issue is through the flux compactification scenarios. One of the major implications of these scenarios is that the string theory cannot provide a single and unique vacuum as a solution. Rather one can find an extremely large set of solutions, each with its own physical properties. This is the string theory Landscape. In the first part we present the formal description of the flux compactification theory. From the four dimensional point of view this is a supersymmetric theory, fully described only by two functions, the superpotential and the Kahler potential. Their expressions are crucially depend on the geometrical properties of the compact manifold. By writing these functions for the specific Calabi-Yau manifold P41,1,1,6,9 we are looking firstly for supersymmetric and then after breaking the supersymmetry, for non-supersymmetric numerical solutions. These solutions describe the possible vacua and our goal is using statistical analysis to categorize them based on their cosmological properties and to check their stability. Finally we present the existence of stable dS vacua with and without adding an uplifting term on the potential. In the case where there is not an uplifting term the breaking of supersymmetry is done by incorporating alpha' corrections to the Kahler potential. In the second part we construct a KKLT like inflation model, within string theory flux compactifications and, in particular a model of accidental inflation. We investigate the possibility that the apparent fine-tuning of the low energy parameters of the theory needed to have inflation can be generically obtained by scanning the values of the fluxes over the landscape. Furthermore, we find that the existence of a landscape of eternal inflation in this model provides us with a natural theory of initial conditions for the inflationary period in our vacuum. We demonstrate how these two effects work in a small corner of the landscape associated with the complex structure of the Calabi-Yau manifold P41,1,1,6,9 by numerically investigating the flux vacua of a reduced moduli space. This allows us to obtain the distribution of observable parameters for inflation in this mini-landscape directly from the fluxes.

Antecedents of perceived coach interpersonal behaviors: the coaching environment and coach psychological well- and ill-being.

PubMed

Stebbings, Juliette; Taylor, Ian M; Spray, Christopher M; Ntoumanis, Nikos

2012-08-01

Embedded in the self-determination theory (Deci & Ryan, 2000) framework, we obtained self-report data from 418 paid and voluntary coaches from a variety of sports and competitive levels with the aim of exploring potential antecedents of coaches' perceived autonomy supportive and controlling behaviors. Controlling for socially desirable responses, structural equation modeling revealed that greater job security and opportunities for professional development, and lower work-life conflict were associated with psychological need satisfaction, which, in turn, was related to an adaptive process of psychological well-being and perceived autonomy support toward athletes. In contrast, higher work-life conflict and fewer opportunities for development were associated with a distinct maladaptive process of thwarted psychological needs, psychological ill-being, and perceived controlling interpersonal behavior. The results highlight how the coaching context may impact upon coaches' psychological health and their interpersonal behavior toward athletes. Moreover, evidence is provided for the independence of adaptive and maladaptive processes within the self-determination theory paradigm.

Emotion at Work: A Contribution to Third-Generation Cultural-Historical Activity Theory

ERIC Educational Resources Information Center

Roth, Wolff-Michael

2007-01-01

Second-generation cultural-historical activity theory, which drew its inspiration from Leont'ev's work, constituted an advance over Vygotsky's first-generation theory by explicitly articulating the dialectical relation between individual and collective. As part of an effort to develop third-generation-historical activity theory, I propose in this…

Final Project Report for DOE Grant NO.: DE-SC0010534 Period: Sept 2013-March 31, 2016

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

Gunaydin, Murat

2016-08-01

Higher spin theories has been an active area of research in recent years. One of the main research activities of the PI Murat Gunaydin over the period of this grant has been the application of quasiconformal methods to construct and study higher spin (HS) algebras and superalgebras in various dimensions. Over the past decade work on amplitudes in gauge theories, supergravity and string theories has been a very active area of research. Enormous progress has been made in the understanding of the structure of amplitudes in these theories. The novel methods and results obtained have made it possible to domore » calculations in gauge theories and supergravity theories that go well beyond the calculations one can do using the old-fashioned Feynman diagram techniques. Work on amplitudes in matter-coupled supergravity theories has been the second main focus of the PI during the funding period. The previous work of the PI on supergravity theories has played a fundamentally important role in the current work on amplitudes.« less

Career and Retirement Theories: Relevance for Older Workers Across Cultures

PubMed Central

Lytle, Megan C.; Foley, Pamela F.; Cotter, Elizabeth W.

2015-01-01

This paper reviews selected career development theories as well as theories specifically focused on retirement, with an emphasis on their application to retirement decisions and vocational behavior in multicultural populations. Theories are evaluated based on whether: (a) retirement was considered a stage of working life, (b) work satisfaction, motivation, and other work variables at retirement age were addressed, (c) work choices at retirement age were included, and (d) cultural and other minority status issues were either directly considered in the work/retirement decision or if the model could be reasonably applied to retirement across cultures. We provide specific recommendations for research and practice with the aim of helping practitioners and scholars conceptualize the current concerns older adults face in their working lives and during retirement planning. PMID:26101455

Career and Retirement Theories: Relevance for Older Workers Across Cultures.

PubMed

Lytle, Megan C; Foley, Pamela F; Cotter, Elizabeth W

2015-06-01

This paper reviews selected career development theories as well as theories specifically focused on retirement, with an emphasis on their application to retirement decisions and vocational behavior in multicultural populations. Theories are evaluated based on whether: (a) retirement was considered a stage of working life, (b) work satisfaction, motivation, and other work variables at retirement age were addressed, (c) work choices at retirement age were included, and (d) cultural and other minority status issues were either directly considered in the work/retirement decision or if the model could be reasonably applied to retirement across cultures. We provide specific recommendations for research and practice with the aim of helping practitioners and scholars conceptualize the current concerns older adults face in their working lives and during retirement planning.

Taking a Gamble for High Rewards? Management Perspectives on the Value of Mental Health Peer Workers

PubMed Central

Roennfeldt, Helena; O’Shea, Peri

2018-01-01

Mental health peer work is attracting growing interest and provides a potentially impactful method of service user involvement in mental health design and delivery, contributing to mental health reform. The need to effectively support this emerging workforce is consequently increasing. This study aimed to better understand the views of management in relation to peer work and specifically explores the value of peer work from the perspective of management. This qualitative research employed grounded theory methods. There were 29 participants in total, employed in both peer designated and non-peer designated management roles, in not for profit and public health organisations in Queensland, Australia. The value of peer work as described by participants is found to be partially dependent on practical supports and strategies from the organisation. There were high benefits for all facets of the organisation when effective recruitment and ongoing support for peer workers was prioritised and a higher perception of limitations when they were not. Due to some parallels, it may be useful to explore the potential for peer work to be conceptually and/or practically considered as a form of diversity and inclusion employment. PMID:29652822

Taking a Gamble for High Rewards? Management Perspectives on the Value of Mental Health Peer Workers.

PubMed

Byrne, Louise; Roennfeldt, Helena; O'Shea, Peri; Macdonald, Fiona

2018-04-13

Mental health peer work is attracting growing interest and provides a potentially impactful method of service user involvement in mental health design and delivery, contributing to mental health reform. The need to effectively support this emerging workforce is consequently increasing. This study aimed to better understand the views of management in relation to peer work and specifically explores the value of peer work from the perspective of management. This qualitative research employed grounded theory methods. There were 29 participants in total, employed in both peer designated and non-peer designated management roles, in not for profit and public health organisations in Queensland, Australia. The value of peer work as described by participants is found to be partially dependent on practical supports and strategies from the organisation. There were high benefits for all facets of the organisation when effective recruitment and ongoing support for peer workers was prioritised and a higher perception of limitations when they were not. Due to some parallels, it may be useful to explore the potential for peer work to be conceptually and/or practically considered as a form of diversity and inclusion employment.

Managing the integration and harmonization of national airspace for unmanned and manned systems

NASA Astrophysics Data System (ADS)

Mumm, Hans

This dissertation examines the leadership challenge created by the requirement to integrate unmanned aerial vehicles (UAVs) into the national airspace system (NAS). The lack of UAV-related federal rules and regulations is a primary factor prolonging this integration. This effort focuses primarily on the leadership portion of the solution and not the technological requirements. The research explores an adaptation of the complexity theory that offers a potential leadership framework for the government, industry, and academia to use for achieving the full integration of UAVs into the NAS. Due to the large number of stakeholders and the multitude of interrelated issues, a complexity-theory-leadership methodology was created and examined as a potential way to help the FAA accelerate their rule-making efforts. This dissertation focuses on United States UAV issues. The United States is one of the leaders in the unmanned systems arena, to include the first significant use of recoverable autonomous weaponized systems in combat. Issues such as airspace, airworthiness, social issues, privacy issues, regulations, and the lack of policies, procedures, or governance are universal for all countries that are active in this technology area. This qualitative dissertation makes use of the grounded theory methodology as it combines a literature review and research along with interviews with subject matter experts, and information gained from attending UAV related gatherings/discussions. The investigation uncovered significant FAA process impediments as well as some possible break through concepts that could work well with the complexity-theory-leadership methodology. Keywords: Complexity theory, leadership, change management, UAV, unmanned aerial vehicle, National Airspace, NAS, FAA, Federal Aviation Administration.

Size-dependent error of the density functional theory ionization potential in vacuum and solution

DOE PAGES

Sosa Vazquez, Xochitl A.; Isborn, Christine M.

2015-12-22

Density functional theory is often the method of choice for modeling the energetics of large molecules and including explicit solvation effects. It is preferable to use a method that treats systems of different sizes and with different amounts of explicit solvent on equal footing. However, recent work suggests that approximate density functional theory has a size-dependent error in the computation of the ionization potential. We here investigate the lack of size-intensivity of the ionization potential computed with approximate density functionals in vacuum and solution. We show that local and semi-local approximations to exchange do not yield a constant ionization potentialmore » for an increasing number of identical isolated molecules in vacuum. Instead, as the number of molecules increases, the total energy required to ionize the system decreases. Rather surprisingly, we find that this is still the case in solution, whether using a polarizable continuum model or with explicit solvent that breaks the degeneracy of each solute, and we find that explicit solvent in the calculation can exacerbate the size-dependent delocalization error. We demonstrate that increasing the amount of exact exchange changes the character of the polarization of the solvent molecules; for small amounts of exact exchange the solvent molecules contribute a fraction of their electron density to the ionized electron, but for larger amounts of exact exchange they properly polarize in response to the cationic solute. As a result, in vacuum and explicit solvent, the ionization potential can be made size-intensive by optimally tuning a long-range corrected hybrid functional.« less

Size-dependent error of the density functional theory ionization potential in vacuum and solution

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

Sosa Vazquez, Xochitl A.; Isborn, Christine M., E-mail: cisborn@ucmerced.edu

2015-12-28

Density functional theory is often the method of choice for modeling the energetics of large molecules and including explicit solvation effects. It is preferable to use a method that treats systems of different sizes and with different amounts of explicit solvent on equal footing. However, recent work suggests that approximate density functional theory has a size-dependent error in the computation of the ionization potential. We here investigate the lack of size-intensivity of the ionization potential computed with approximate density functionals in vacuum and solution. We show that local and semi-local approximations to exchange do not yield a constant ionization potentialmore » for an increasing number of identical isolated molecules in vacuum. Instead, as the number of molecules increases, the total energy required to ionize the system decreases. Rather surprisingly, we find that this is still the case in solution, whether using a polarizable continuum model or with explicit solvent that breaks the degeneracy of each solute, and we find that explicit solvent in the calculation can exacerbate the size-dependent delocalization error. We demonstrate that increasing the amount of exact exchange changes the character of the polarization of the solvent molecules; for small amounts of exact exchange the solvent molecules contribute a fraction of their electron density to the ionized electron, but for larger amounts of exact exchange they properly polarize in response to the cationic solute. In vacuum and explicit solvent, the ionization potential can be made size-intensive by optimally tuning a long-range corrected hybrid functional.« less

Applying the Social Ecological Model and Theory of Self-Efficacy in the Worksite Heart Health Improvement Project-PLUS.

PubMed

Doran, Kelly; Resnick, Barbara; Kim, Natalie; Lynn, Donna; McCormick, Tyrell

2017-02-01

Long-term care (LTC) employees are at high risk for cardiovascular disease. Despite the documented benefits of worksite health promotion (WHP) programs for employees and employers and the potential benefits to residents in LTC facilities, LTC employees are rarely offered WHP programs. The purpose of the intervention described in this article is to reduce cardiovascular disease risk factors among LTC workers using a physical activity, nutrition, and stress management WHP implemented during paid work time with 98 LTC staff members. This article describes a 9-month physical activity, nutrition, and stress management WHP intervention delivered during paid work time to reduce the cardiovascular disease risk of employees working in LTC. The intervention is rooted in the social ecological model and social cognitive theory. The intervention is based on formative research and evidence-based practice recommendations and is specifically designed to reduce barriers to intervention participation (e.g., inconsistent break times and unpredictable resident care needs) and enhance motivators to program participation (e.g., enhanced social support). The intervention is ongoing, but measures are described. As more employers offer WHP programs, it is important that programs are tailored to meet specific employee groups and work environments. This article operationalizes a WHP research protocol with LTC employees that can be applied to reduce cardiovascular disease risk in LTC employees or similar employee groups in similar work environments.

A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. II. Backbone-local potentials of coarse-grained O 1 →4 -bonded polyglucose chains

NASA Astrophysics Data System (ADS)

Lubecka, Emilia A.; Liwo, Adam

2017-09-01

Based on the theory of the construction of coarse-grained force fields for polymer chains described in our recent work [A. K. Sieradzan et al., J. Chem. Phys. 146, 124106 (2017)], in this work effective coarse-grained potentials, to be used in the SUGRES-1P model of polysaccharides that is being developed in our laboratory, have been determined for the O ⋯O ⋯O virtual-bond angles (θ ) and for the dihedral angles for rotation about the O ⋯O virtual bonds (γ ) of 1 → 4 -linked glucosyl polysaccharides, for all possible combinations of [α ,β ]-[d,l]-glucose. The potentials of mean force corresponding to the virtual-bond angles and the virtual-bond dihedral angles were calculated from the free-energy surfaces of [α ,β ]-[d,l]-glucose pairs, determined by umbrella-sampling molecular-dynamics simulations with the AMBER12 force field, or combinations of the surfaces of two pairs sharing the overlapping residue, respectively, by integrating the respective Boltzmann factor over the dihedral angles λ for the rotation of the sugar units about the O ⋯O virtual bonds. Analytical expressions were subsequently fitted to the potentials of mean force. The virtual-bond-torsional potentials depend on both virtual-bond-dihedral angles and virtual-bond angles. The virtual-bond-angle potentials contain a single minimum at about θ =14 0° for all pairs except β -d-[α ,β ] -l-glucose, where the global minimum is shifted to θ =150° and a secondary minimum appears at θ =90°. The torsional potentials favor small negative γ angles for the α -d-glucose and extended negative angles γ for the β -d-glucose chains, as observed in the experimental structures of starch and cellulose, respectively. It was also demonstrated that the approximate expression derived based on Kubo's cluster-cumulant theory, whose coefficients depend on the identity of the disugar units comprising a trisugar unit that defines a torsional potential, fits simultaneously all torsional potentials very well, thus reducing the number of parameters significantly.

Demystifying theory and its use in improvement

PubMed Central

Davidoff, Frank; Dixon-Woods, Mary; Leviton, Laura; Michie, Susan

2015-01-01

The role and value of theory in improvement work in healthcare has been seriously underrecognised. We join others in proposing that more informed use of theory can strengthen improvement programmes and facilitate the evaluation of their effectiveness. Many professionals, including improvement practitioners, are unfortunately mystified—and alienated—by theory, which discourages them from using it in their work. In an effort to demystify theory we make the point in this paper that, far from being discretionary or superfluous, theory (‘reason-giving’), both informal and formal, is intimately woven into virtually all human endeavour. We explore the special characteristics of grand, mid-range and programme theory; consider the consequences of misusing theory or failing to use it; review the process of developing and applying programme theory; examine some emerging criteria of ‘good’ theory; and emphasise the value, as well as the challenge, of combining informal experience-based theory with formal, publicly developed theory. We conclude that although informal theory is always at work in improvement, practitioners are often not aware of it or do not make it explicit. The germane issue for improvement practitioners, therefore, is not whether they use theory but whether they make explicit the particular theory or theories, informal and formal, they actually use. PMID:25616279

Interaction—Induced Spectroscopy of H2 in the Fullerenes

NASA Astrophysics Data System (ADS)

Lewis, John Courtenay; Herman, Roger M.

2006-11-01

Carbon nanostructures of various sorts have been the subject of intensive research since their discoveries in the latter part of the 20th century. Much of this research has been motivated by the intrinsic interest of these structures, though their potential as hydrogen storage media has also attracted attention. It was realized that the carbon-hydrogen interactions in these media would induce dipole moments which might lead to observable absorption of infrared spectra, and this work will be reviewed and extended in this paper. The fundamental vibration-rotation spectrum, of H2 in a fcc C60 lattice (fullerite) at room temperature was first observed by S. A. FitzGerald and coworkers, who have subsequently extended their observations to near liquid nitrogen temperatures. Herman and Lewis have discussed the theoretical aspects of H2 in carbon nanotube bundles and in fullerite. We have developed a detailed theory for the spectrum of H2 in fullerite. This theory assumes that the H2 - C potential can be accurately approximated by an exp-6 potential, the parameters of which are then obtained by fitting the line frequencies in FitzGerald's spectra. We have also obtained a model for the H2 induced dipole moment based on the calculations of Frommhold and coworkers on the induced dipole in H2 - He. With one adjustable parameter this model gives a good account of the observed intensities. In work to date the line width has been taken as an empirical parameter. However, the line width is in principal determinable from the H2 - C potential and induced dipole moment, together with the known properties of the phonon modes in fullerite. We conclude this paper with a discussion of the line width problem for H2 in fullerite.

Traumatic events, posttraumatic stress disorder, attachment style, and working alliance in a sample of people with psychosis.

PubMed

Picken, Alicia L; Berry, Katherine; Tarrier, Nicholas; Barrowclough, Christine

2010-10-01

There is a high incidence of trauma and posttraumatic stress disorder (PTSD) in people with a diagnosis of psychosis. Sequelae of trauma may affect the ability to engage in both attachment and therapeutic relationships. This study investigated associations between trauma histories, PTSD, attachment styles, and working alliance in a sample of 110 individuals with psychosis and substance misuse. Anxious attachment was associated with number of interpersonal traumas and PTSD reported, but there were no associations between trauma and alliance. There were discrepancies in number of traumatic events reported by care coordinators and patients. The findings of this study highlight the potential use of attachment theory in working with trauma and PTSD in psychosis.

Potential energy and dipole moment surfaces of the triplet states of the O2(X3Σg-) - O2(X3Σg-,a1Δg,b1Σg+) complex

NASA Astrophysics Data System (ADS)

Karman, Tijs; van der Avoird, Ad; Groenenboom, Gerrit C.

2017-08-01

We compute four-dimensional diabatic potential energy surfaces and transition dipole moment surfaces of O2-O2, relevant for the theoretical description of collision-induced absorption in the forbidden X3Σg- → a1Δg and X3Σg- → b1Σg+ bands at 7883 cm-1 and 13 122 cm-1, respectively. We compute potentials at the multi-reference configuration interaction (MRCI) level and dipole surfaces at the MRCI and complete active space self-consistent field (CASSCF) levels of theory. Potentials and dipole surfaces are transformed to a diabatic basis using a recent multiple-property-based diabatization algorithm. We discuss the angular expansion of these surfaces, derive the symmetry constraints on the expansion coefficients, and present working equations for determining the expansion coefficients by numerical integration over the angles. We also present an interpolation scheme with exponential extrapolation to both short and large separations, which is used for representing the O2-O2 distance dependence of the angular expansion coefficients. For the triplet ground state of the complex, the potential energy surface is in reasonable agreement with previous calculations, whereas global excited state potentials are reported here for the first time. The transition dipole moment surfaces are strongly dependent on the level of theory at which they are calculated, as is also shown here by benchmark calculations at high symmetry geometries. Therefore, ab initio calculations of the collision-induced absorption spectra cannot become quantitatively predictive unless more accurate transition dipole surfaces can be computed. This is left as an open question for method development in electronic structure theory. The calculated potential energy and transition dipole moment surfaces are employed in quantum dynamical calculations of collision-induced absorption spectra reported in Paper II [T. Karman et al., J. Chem. Phys. 147, 084307 (2017)].

Potential energy and dipole moment surfaces of the triplet states of the O2(X3Σg-) - O2(X3Σg-,a1Δg,b1Σg+) complex.

PubMed

Karman, Tijs; van der Avoird, Ad; Groenenboom, Gerrit C

2017-08-28

We compute four-dimensional diabatic potential energy surfaces and transition dipole moment surfaces of O 2 -O 2 , relevant for the theoretical description of collision-induced absorption in the forbidden X 3 Σ g -  → a 1 Δ g and X 3 Σ g -  → b 1 Σ g + bands at 7883 cm -1 and 13 122 cm -1 , respectively. We compute potentials at the multi-reference configuration interaction (MRCI) level and dipole surfaces at the MRCI and complete active space self-consistent field (CASSCF) levels of theory. Potentials and dipole surfaces are transformed to a diabatic basis using a recent multiple-property-based diabatization algorithm. We discuss the angular expansion of these surfaces, derive the symmetry constraints on the expansion coefficients, and present working equations for determining the expansion coefficients by numerical integration over the angles. We also present an interpolation scheme with exponential extrapolation to both short and large separations, which is used for representing the O 2 -O 2 distance dependence of the angular expansion coefficients. For the triplet ground state of the complex, the potential energy surface is in reasonable agreement with previous calculations, whereas global excited state potentials are reported here for the first time. The transition dipole moment surfaces are strongly dependent on the level of theory at which they are calculated, as is also shown here by benchmark calculations at high symmetry geometries. Therefore, ab initio calculations of the collision-induced absorption spectra cannot become quantitatively predictive unless more accurate transition dipole surfaces can be computed. This is left as an open question for method development in electronic structure theory. The calculated potential energy and transition dipole moment surfaces are employed in quantum dynamical calculations of collision-induced absorption spectra reported in Paper II [T. Karman et al., J. Chem. Phys. 147, 084307 (2017)].

An efficient finite element with layerwise mechanics for smart piezoelectric composite and sandwich shallow shells

NASA Astrophysics Data System (ADS)

Yasin, M. Yaqoob; Kapuria, S.

2014-01-01

In this work, we present a new efficient four-node finite element for shallow multilayered piezoelectric shells, considering layerwise mechanics and electromechanical coupling. The laminate mechanics is based on the zigzag theory that has only seven kinematic degrees of freedom per node. The normal deformation of the piezoelectric layers under the electric field is accounted for without introducing any additional deflection variables. A consistent quadratic variation of the electric potential across the piezoelectric layers with the provision of satisfying the equipotential condition of electroded surfaces is adopted. The performance of the new element is demonstrated for the static response under mechanical and electric potential loads, and for free vibration response of smart shells under different boundary conditions. The predictions are found to be very close to the three dimensional piezoelasticity solutions for hybrid shells made of not only single-material composite substrates, but also sandwich substrates with a soft core for which the equivalent single layer (ESL) theories perform very badly.

Efficient Adsorption Characteristics of Pristine and Silver-Doped Graphene Oxide Towards Contaminants: A Potential Membrane Material for Water Purification?

PubMed

Panigrahi, Puspamitra; Dhinakaran, Ashok Kumar; Sekar, Yuvaraj; Ahuja, Rajeev; Hussain, Tanveer

2018-05-16

In this work, we have investigated the potential of pristine and silver (Ag)-functionalized graphene oxide monolayers GO (GO-Ag) as efficient membranes for water filtration. Our first principles calculations based on density functional theory (DFT) reveal the hydrophilic nature of GO surfaces. The phonon frequency calculations within density functional perturbation theory (DFPT) confirmed the stability of GO sheets in aqueous media. Van der Waals-corrected binding energies of GO sheet towards heavy metals suggest that even pristine GO sheets are completely impermeable to various heavy metals like arsenic (As) and lead (Pb). However, compared to GO, the GO-Ag sheets have a much higher affinity towards the three amino acids histidine, phenyl-alanine and tyrosine, which are the main component of a bacteria cell wall. The GO-Ag sheet is found to be extremely efficient for bacteria inactivation. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Consideration of Collision "Consequence" in Satellite Conjunction Assessment and Risk Analysis

NASA Technical Reports Server (NTRS)

Hejduk, M.; Laporte, F.; Moury, M.; Newman, L.; Shepperd, R.

2017-01-01

Classic risk management theory requires the assessment of both likelihood and consequence of deleterious events. Satellite conjunction risk assessment has produced a highly-developed theory for assessing collision likelihood but holds a completely static solution for collision consequence, treating all potential collisions as essentially equally worrisome. This may be true for the survival of the protected asset, but the amount of debris produced by the potential collision, and therefore the degree to which the orbital corridor may be compromised, can vary greatly among satellite conjunctions. This study leverages present work on satellite collision modeling to develop a method by which it can be estimated, to a particular confidence level, whether a particular collision is likely to produce a relatively large or relatively small amount of resultant debris and how this datum might alter conjunction remediation decisions. The more general question of orbital corridor protection is also addressed, and a preliminary framework presented by which both collision likelihood and consequence can be jointly considered in the risk assessment process.

First-principles photoemission spectroscopy in DNA and RNA nucleobases from Koopmans-compliant functionals

NASA Astrophysics Data System (ADS)

Nguyen, Ngoc Linh; Borghi, Giovanni; Ferretti, Andrea; Marzari, Nicola

The determination of spectral properties of the DNA and RNA nucleobases from first principles can provide theoretical interpretation for experimental data, but requires complex electronic-structure formulations that fall outside the domain of applicability of common approaches such as density-functional theory. In this work, we show that Koopmans-compliant functionals, constructed to enforce piecewise linearity in energy functionals with respect to fractional occupation-i.e., with respect to charged excitations-can predict not only frontier ionization potentials and electron affinities of the nucleobases with accuracy comparable or superior with that of many-body perturbation theory and high-accuracy quantum chemistry methods, but also the molecular photoemission spectra are shown to be in excellent agreement with experimental ultraviolet photoemsision spectroscopy data. The results highlight the role of Koopmans-compliant functionals as accurate and inexpensive quasiparticle approximations to the spectral potential, which transform DFT into a novel dynamical formalism where electronic properties, and not only total energies, can be correctly accounted for.

A strategic approach to workforce development for local public health.

PubMed

Bryant, Beverley; Ward, Megan

2017-11-09

In 2009, Peel Public Health set a vision to transform the work of public health from efficient delivery of public health services as defined by provincial mandate to the robust analysis of the health status of the local population and selection and implementation of programming to achieve best health outcomes. A strategic approach to the workforce was a key enabler. PPH is a public health unit in Ontario that serves 1.4 million people. An organization-wide strategic workforce development program was instituted. It is theory-based, evidence-informed and data-driven. A first step was a conceptual framework, followed by interventions in workforce planning, human resources management, and capacity development. The program was built on evidence reviews, theory, and public health core competencies. Interventions spread across the employee work-life span. Capacity development based on the public health core competencies is a main focus, particularly analytical capacity to support decision-making. Employees gain skill and knowledge in comprehensive population health. Leadership evolves as work shifts to the analysis of health status and development of interventions. Effective human resource processes ensure appropriate job design, recruitment and orientation. Analysis of the workforce leads to vigorous employee development to ensure a strong pool of potential leadership successors. Theory, research evidence, and data provide a robust foundation for workforce development. Competencies are important inputs to job descriptions, recruitment, training, and human resource processes. A comprehensive workforce development strategy enables the development of a skilled workforce capable of responding to the needs of the population it serves.

A Sociotechnical Approach to Evaluating the Impact of ICT on Clinical Care Environments

PubMed Central

Li, Julie

2010-01-01

Introduction: Process-supporting information technology holds the potential to increase efficiency, reduce errors, and alter professional roles and responsibilities in a manner which allows improvement in the delivery of patient care. However, clashes between the model of health care work inscribed in these tools with the actual nature of work has resulted in staff resistance and decreased organisational uptake of ICT, as well as the facilitation of unexpected and negative effects in efficiency and patient safety. Sociotechnical theory provides a paradigm against which workflow and transfusion of ICT in healthcare could be better explored and understood. Design: This paper will conceptualise a formative, multi-method longitudinal evaluation process to explore the impact of ICT with an appreciation of the relationship between the social and technical systems within a clinical department. Method: Departmental culture, including clinical work processes and communication patterns will be thoroughly explored before system implementation using both quantitative and qualitative research methods. Findings will be compared with post implementation data, which will incorporate measurement of safety and workflow efficiency indicators. Discussion: Sociotechnical theory provides a paradigm against which workflow and transfusion of ICT in healthcare could be better explored and understood. However, sociotechnical and multimethod approaches to evaluation do not exist without criticism. Inherent in the protocol are limitations of sociotechnical theory and criticism of the multimethod approach; testing of the methodology in real clinical settings will serve to verify efficacy and refine the process. PMID:21594005

General results for higher spin Wilson lines and entanglement in Vasiliev theory

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

Hegde, Ashwin; Kraus, Per; Perlmutter, Eric

Here, we develop tools for the efficient evaluation of Wilson lines in 3D higher spin gravity, and use these to compute entanglement entropy in the hs[λ ] Vasiliev theory that governs the bulk side of the duality proposal of Gaberdiel and Gopakumar. Our main technical advance is the determination of SL(N) Wilson lines for arbitrary N, which, in suitable cases, enables us to analytically continue to hs[λ ] via N→ -λ. We then apply this result to compute various quantities of interest, including entanglement entropy expanded perturbatively in the background higher spin charge, chemical potential, and interval size. This includesmore » a computation of entanglement entropy in the higher spin black hole of the Vasiliev theory. Our results are consistent with conformal field theory calculations. We also provide an alternative derivation of the Wilson line, by showing how it arises naturally from earlier work on scalar correlators in higher spin theory. The general picture that emerges is consistent with the statement that the SL(N) Wilson line computes the semiclassical W N vacuum block, and our results provide an explicit result for this object.« less

General results for higher spin Wilson lines and entanglement in Vasiliev theory

DOE PAGES

Hegde, Ashwin; Kraus, Per; Perlmutter, Eric

2016-01-28

Here, we develop tools for the efficient evaluation of Wilson lines in 3D higher spin gravity, and use these to compute entanglement entropy in the hs[λ ] Vasiliev theory that governs the bulk side of the duality proposal of Gaberdiel and Gopakumar. Our main technical advance is the determination of SL(N) Wilson lines for arbitrary N, which, in suitable cases, enables us to analytically continue to hs[λ ] via N→ -λ. We then apply this result to compute various quantities of interest, including entanglement entropy expanded perturbatively in the background higher spin charge, chemical potential, and interval size. This includesmore » a computation of entanglement entropy in the higher spin black hole of the Vasiliev theory. Our results are consistent with conformal field theory calculations. We also provide an alternative derivation of the Wilson line, by showing how it arises naturally from earlier work on scalar correlators in higher spin theory. The general picture that emerges is consistent with the statement that the SL(N) Wilson line computes the semiclassical W N vacuum block, and our results provide an explicit result for this object.« less

Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media.

PubMed

Chen, W; Zhao, S L; Holovko, M; Chen, X S; Dong, W

2016-06-23

The formulation of scaled particle theory (SPT) is presented for a quite general model of fluids confined in a random porous media, i.e., a multicomponent hard sphere (HS) fluid in a multicomponent hard sphere or a multicomponent overlapping hard sphere (OHS) matrix. The analytical expressions for pressure, Helmholtz free energy, and chemical potential are derived. The thermodynamic consistency of the proposed theory is established. Moreover, we show that there is an isomorphism between the SPT for a multicomponent system and that for a one-component system. Results from grand canonical ensemble Monte Carlo simulations are also presented for a binary HS mixture in a one-component HS or a one-component OHS matrix. The accuracy of various variants derived from the basic SPT formulation is appraised against the simulation results. Scaled particle theory, initially formulated for a bulk HS fluid, has not only provided an analytical tool for calculating thermodynamic properties of HS fluid but also helped to gain very useful insight for elaborating other theoretical approaches such as the fundamental measure theory (FMT). We expect that the general SPT for multicomponent systems developed in this work can contribute to the study of confined fluids in a similar way.

Kohlberg's theory of moral development: insights into rights reasoning.

PubMed

Peens, B J; Louw, D A

2000-01-01

Kohlberg's theory of moral development was based on extensive research done on the reactions of people of all ages to specific moral situational dilemmas. Kohlberg was specifically interested in reasoning processes involved in decision-making. The way in which children perceive their rights is also based on reasoning processes that are inextricably linked to their level of development and more specifically to their level of moral development since the area of human rights can be considered essentially moral. Since Kohlberg's theory is primarily concerned with development, a great deal of insight can be gained into the developmental shift that occurs in children's reasoning about the rights to which they feel they should be entitled. This article focuses on Kohlberg's six-stage theory, specifically as it pertains to reasoning processes similar to those that would be used in rights reasoning. At each stage the authors propose a potential view of how children at each developmental stage might perceive their rights based on the description Kohlberg gives of the developmental trends associated with each stage. A critical assessment of Kohlberg's work is also given in order to highlight certain considerations about the limitations of this theory that need to be considered for future research.

Uncovering novel phase structures in \\Box ^k scalar theories with the renormalization group

NASA Astrophysics Data System (ADS)

Safari, M.; Vacca, G. P.

2018-03-01

We present a detailed version of our recent work on the RG approach to multicritical scalar theories with higher derivative kinetic term φ (-\\Box )^kφ and upper critical dimension d_c = 2nk/(n-1). Depending on whether the numbers k and n have a common divisor two classes of theories have been distinguished. For coprime k and n-1 the theory admits a Wilson-Fisher type fixed point. We derive in this case the RG equations of the potential and compute the scaling dimensions and some OPE coefficients, mostly at leading order in ɛ . While giving new results, the critical data we provide are compared, when possible, and accord with a recent alternative approach using the analytic structure of conformal blocks. Instead when k and n-1 have a common divisor we unveil a novel interacting structure at criticality. \\Box ^2 theories with odd n, which fall in this class, are analyzed in detail. Using the RG flows it is shown that a derivative interaction is unavoidable at the critical point. In particular there is an infrared fixed point with a pure derivative interaction at which we compute the scaling dimensions and, for the particular example of \\Box ^2 theory in d_c=6, also some OPE coefficients.

Hamiltonian theory of gaps, masses, and polarization in quantum Hall states

NASA Astrophysics Data System (ADS)

Shankar, R.

2001-02-01

In two short papers I had described an extension, to all length scales, of the Hamiltonian theory of composite fermions (CF) that Murthy and I developed for the infrared, and applied it to compute finite-temperature quantities for quantum Hall fractions. I furnish details of the extended theory and apply it to Jain fractions ν=p/(2ps+1). The explicit operator description in terms of the CF allows one to answer quantitative and qualitative issues, some of which cannot even be posed otherwise. I compute activation gaps for several potentials, exhibit their particle-hole symmetry, the profiles of charge density in states with a quasiparticle or hole (all in closed form), and compare to results from trial wave functions and exact diagonalization. The Hartree-Fock approximation is used, since much of the nonperturbative physics is built-in at tree level. I compare the gaps to experiment, and comment on the rough equality of normalized masses near half- and quarter-filling. I compute the critical fields at which the Hall system will jump from one quantized value of polarization to another, and the polarization and relaxation rates for half-filling as a function of temperature and propose a Korringa-like law. After providing some plausibility arguments, I explore the possibility of describing several magnetic phenomena in dirty systems with an effective potential, by extracting a free parameter describing the potential from one data point and then using it to predict all the others from that sample. This works to the accuracy typical of this theory (10-20 %). I explain why the CF behaves like a free particle in some magnetic experiments when it is not, what exactly the CF is made of, what one means by its dipole moment, and how the comparison of theory to experiment must be modified to fit the peculiarities of the quantized Hall problem.

Work Identity Theory: How College-Educated Adults Developed the Cognitive Mechanism to Define Who They Are at Work

ERIC Educational Resources Information Center

Jones, Samuel

2017-01-01

In this research, I used a mixed-methods approach employing both autobiographical reasoning and psychometric instruments through a survey design to explore how the four cognitive mechanisms of Work Identity Theory (WIT) were developed in 754 college-educated participants' lives. WIT is a vocational identity theory, which posits that, four…

Preparing for Electronic Medical Record Implementation: Carolina Care Communication in an Electronic Environment.

PubMed

Carroll, Tracy; Tonges, Mary; Ray, Joel

2017-11-01

This article describes 1 organization's successful approach to mitigating the potential negative effects of a new electronic medical record on patient experience. The Carolina Care model, developed at the University of North Carolina Hospitals to actualize caring theory in practice, helped to structure and greatly facilitate this work. Seven focus areas were integrated to create the "Communication in an Electronic Environment" program with a strong emphasis on nurse-patient communication.

Games for Social Change: Review of the Potential for Multi Player Online Gaming to Facilitate the Emergence and Growth of Progressive Movements for Social Change within Youth and Community Work

ERIC Educational Resources Information Center

Keating, Paul

2016-01-01

Building on the use of the internet and social media as sites for activism, this paper highlights the emergence of political activism and collective protest in the online gaming environment. Referencing social movement theory and the rapidly evolving capacity of multiplayer online games to facilitate the development of strong group identities and…

At the Edge of Chaos: A New Paradigm for Social Work?

ERIC Educational Resources Information Center

Hudson, Christopher G.

2000-01-01

Reviews key concepts and applications of chaos theory and the broader complex systems theory in the context of general systems theory and the search for a unified conceptual framework for social work. Concludes that chaos theory shows promise as a solution to many problems posed by the now dated general systems approach. (DB)

Three Key Concepts of the Theory of Objectification: Knowledge, Knowing, and Learning

ERIC Educational Resources Information Center

Radford, Luis

2013-01-01

In this article I sketch three key concepts of a cultural-historical theory of mathematics teaching and learning--the theory of objectification. The concepts are: knowledge, knowing and learning. The philosophical underpinning of the theory revolves around the work of Georg W. F. Hegel and its further development in the philosophical works of K.…

Adaptive trials for tuberculosis: early reflections on theory and practice.

PubMed

Montgomery, C M

2016-08-01

Adaptive designs (ADs) have been proposed for anti-tuberculosis treatment trials. This call for innovation occurs against the backdrop of fundamental changes in the acceptable evidence base in anti-tuberculosis treatment. To contextualise ADs for tuberculosis (TB) and explore early responses from those working in the field. In this qualitative study investigating processes of theoretical and practical change in randomised controlled trials, 24 interviews were conducted with professionals involved in AD trials, half of whom worked in the TB field. Clinical trialists working on AD trials in TB are positive about the efficiency these designs offer, but remain cautious about their suitability. In addition to technical concerns, informants discussed the challenges of implementing AD in developing countries, including limited regulatory capacity to evaluate proposals, investments needed in infrastructure and site capacity, and challenges regarding informed consent. Respondents identified funding, interdisciplinary communication and regulatory and policy responses as additional concerns potentially affecting the success of AD for TB. Empirical research is needed into patient experiences of AD, including informed consent. Further consideration of the contexts of innovation in trial design is needed. These are fundamental to the successful translation of theory into practice.

4D superfield reduction of 5D orbifold SUGRA and heterotic M-theory

NASA Astrophysics Data System (ADS)

Paccetti Correia, Filipe; Schmidt, Michael G.; Tavartkiladze, Zurab

2006-09-01

We present a detailed study of the reduction to 4D of 5D supergravity compactified on the S/Z orbifold. For this purpose we develop and employ a recently proposed N=1 conformal superfield description of the 5D supergravity couplings to Abelian vector and hypermultiplets. In particular, we obtain a unique relation of the "radion" to chiral superfields as in global 5D SUSY and we can embed the universal hypermultiplet into this formalism. In our approach, it is transparent how the superconformal structure of the effective 4D actions is inherited from the one of the original 5D supergravity. We consider both ungauged and gauged 5D supergravities. This includes compactifications in unwarped geometries, generalizations of the supersymmetric Randall-Sundrum (RS) model as well as 5D heterotic M-theory. In the unwarped case, after obtaining the effective Kähler potentials and superpotentials, we demonstrate that the tree-level 4D potentials have flat and/or tachyonic directions. One-loop corrections to the Kähler potential and gaugino condensation are presented as suitable tools for moduli stabilization to be discussed in subsequent work. Turning to the RS-like models, we obtain a master formula for the Kähler potential for an arbitrary number of vector and hyper moduli, which we evaluate exactly for special cases. Finally, we formulate the superfield description of 5D heterotic M-theory and obtain its effective 4D description for the universal ( h=1) case, in the presence of an arbitrary number of bulk 5-branes. We present, as a check of our expressions, time-dependent solutions of 4D heterotic M-theory, which uplift to 5D solutions generalizing the ones recently found in [W. Chen, Z.-W. Chong, G.W. Gibbons, H. Lü, C.N. Pope, Hořava-Witten stability: Eppur si muove, Nucl. Phys. B 732 (2006) 118, hep-th/0502077].

Finding a Fit or Developing It: Implicit Theories About Achieving Passion for Work.

PubMed

Chen, Patricia; Ellsworth, Phoebe C; Schwarz, Norbert

2015-10-01

"Passion for work" has become a widespread phrase in popular discourse. Two contradictory lay perspectives have emerged on how passion for work is attained, which we distill into the fit and develop implicit theories. Fit theorists believe that passion for work is achieved through finding the right fit with a line of work; develop theorists believe that passion is cultivated over time. Four studies examined the expectations, priorities, and outcomes that characterize these implicit theories. Our results show that these beliefs elicit different motivational patterns, but both can facilitate vocational well-being and success. This research extends implicit theory scholarship to the work domain and provides a framework that can fruitfully inform career advising, life coaching, mentorship, and employment policies. © 2015 by the Society for Personality and Social Psychology, Inc.

Network destabilization and transition in depression: New methods for studying the dynamics of therapeutic change

PubMed Central

Hayes, Adele M.; Yasinski, Carly; Barnes, J. Ben; Bockting, Claudi L. H.

2015-01-01

The science of dynamic systems is the study of pattern formation and system change. Dynamic systems theory can provide a useful framework for understanding the chronicity of depression and its treatment. We propose a working model of therapeutic change with potential to organize findings from psychopathology and treatment research, suggest new ways to study change, facilitate comparisons across studies, and stimulate treatment innovation. We describe a treatment for depression that we developed to apply principles from dynamic systems theory and then present a program of research to examine the utility of this application. Recent methodological and technological developments are also discussed to further advance the search for mechanisms of therapeutic change. PMID:26197726

Search For Effects of an Electrostatic Potential on Clocks in the Frame of Reference of a Charged Particle

NASA Technical Reports Server (NTRS)

Ringermacher, Harry I.; Conradi, Mark S.; Cassenti, Brice N.; Millis, Marc G. (Technical Monitor)

2001-01-01

The Program Planning meeting was held on Jan 27-28 at the Washington University, Dept. of Physics. Experiment strategies and details were discussed and milestones mapped. Dr. Ringermacher, the program technical leader and Co-Principal Investigator, presented a Physics Department seminar on the theory and experiment in progress. Following the meeting Professor Conradi (CO-PI) and his students designed the NMR probe and electronics required for the experiment and submitted the drawings to the shop for fabrication. Dr. Cassenti, at UTRC, initiated analytic and computer analysis of the experimental conditions in order to anticipate possible classical effects. Dr. Ringermacher, at KRONOTRAN, re-evaluated the experiment interpretation from the theory and continued working to secure its underpinnings.

Simple and compact expressions for neutrino oscillation probabilities in matter

DOE PAGES

Minakata, Hisakazu; Parke, Stephen J.

2016-01-29

We reformulate perturbation theory for neutrino oscillations in matter with an expansion parameter related to the ratio of the solar to the atmospheric Δm 2 scales. Unlike previous works, use a renormalized basis in which certain first-order effects are taken into account in the zeroth-order Hamiltonian. Using this perturbation theory we derive extremely compact expressions for the neutrino oscillations probabilities in matter. We find, for example, that the ν e disappearance probability at this order is of a simple two flavor form with an appropriately identified mixing angle and Δm 2. Furthermore, despite exceptional simplicity in their forms they accommodatemore » all order effects θ 13 and the matter potential.« less

Data Sufficiency Assessment and Pumping Test Design for Groundwater Prediction Using Decision Theory and Genetic Algorithms

NASA Astrophysics Data System (ADS)

McPhee, J.; William, Y. W.

2005-12-01

This work presents a methodology for pumping test design based on the reliability requirements of a groundwater model. Reliability requirements take into consideration the application of the model results in groundwater management, expressed in this case as a multiobjective management model. The pumping test design is formulated as a mixed-integer nonlinear programming (MINLP) problem and solved using a combination of genetic algorithm (GA) and gradient-based optimization. Bayesian decision theory provides a formal framework for assessing the influence of parameter uncertainty over the reliability of the proposed pumping test. The proposed methodology is useful for selecting a robust design that will outperform all other candidate designs under most potential 'true' states of the system

Making sense of interactions between mental health and criminal justice services: the utility of cultural historical activity systems theory.

PubMed

Hean, Sarah; Willumsen, Elisabeth; Ødegård, Atle

2018-06-11

Purpose Effective collaboration between mental health services (MHS) and criminal justice services (CJS) impacts on mental illness and reduces reoffending rates. This paper proposes the change laboratory model (CLM) of workplace transformation as a potential tool to support interagency collaborative practice that has potential to complement current integration tools used in this context. The purpose of this paper is to focus specifically on the theoretical dimension of the model: the cultural historical activity systems theory (CHAT) as a theoretical perspective that offers a framework with which interactions between the MHS and CJS can be better understood. Design/methodology/approach The structure and rationale behind future piloting of the change laboratory in this context is made. Then CHAT theory is briefly introduced and then its utility illustrated in the presentation of the findings of a qualitative study of leaders from MHS and CJS that explored their perspectives of the characteristics of collaborative working between MHS and prison/probation services in a Norwegian context and using CHAT as an analytical framework. Findings Leaders suggested that interactions between the two services, within the Norwegian system at least, are most salient when professionals engage in the reintegration and rehabilitation of the offender. Achieving effective communication within the boundary space between the two systems is a focus for professionals engaging in interagency working and this is mediated by a range of integration tools such as coordination plans and interagency meetings. Formalised interagency agreements and informal, unspoken norms of interaction governed this activity. Key challenges limiting the collaboration between the two systems included resource limitations, logistical issues and differences in professional judgments on referral and confidentiality. Originality/value Current tools with which MHS/CJS interactions are understood and managed, fail to make explicit the dimensions and nature of these complex interactions. The CLM, and CHAT as its theoretical underpinning, has been highly successful internationally and in other clinical contexts, as a means of exploring and developing interagency working. It is a new idea in prison development, none as yet being applied to the challenges facing the MHS and CJS. This paper addresses this by illustrating the use of CHAT as an analytical framework with which to articulate MHS/CJS collaborations and the potential of the CLM more widely to address current challenges in a context specific, bottom-up and fluid approach to interagency working in this environment.

Children's Working Theories: Invoking Disequilibrium

ERIC Educational Resources Information Center

Lovatt, Daniel; Hedges, Helen

2015-01-01

One of the outcomes of the New Zealand early childhood curriculum, "Te Whariki", is "working theories". Prior research on this concept has primarily utilised sociocultural theoretical underpinnings and neglected Piagetian constructivist theories. This paper explores ways the Piagetian concepts of equilibrium and disequilibrium…

Social cognition in children with Down's syndrome: challenges to research and theory building.

PubMed

Cebula, K R; Moore, D G; Wishart, J G

2010-02-01

Characterising how socio-cognitive abilities develop has been crucial to understanding the wider development of typically developing children. It is equally central to understanding developmental pathways in children with intellectual disabilities such as Down's syndrome. While the process of acquisition of socio-cognitive abilities in typical development and in autism has received considerable attention, socio-cognitive development in Down's syndrome has received far less scrutiny. Initial work in the 1970s and 1980s provided important insights into the emergence of socio-cognitive abilities in the children's early years, and recently there has been a marked revival of interest in this area, with research focusing both on a broader range of abilities and on a wider age range. This annotation reviews some of these more recent findings, identifies outstanding gaps in current understanding, and stresses the importance of the development of theory in advancing research and knowledge in this field. Barriers to theory building are discussed and the potential utility of adopting a transactional approach to theory building illustrated with reference to a model of early socio-cognitive development in Down's syndrome. The need for a more extensive model of social cognition is emphasised, as is the need for larger-scale, finer-grained, longitudinal work which recognises the within-individual and within-group variability which characterises this population. The value of drawing on new technologies and of adapting innovative research paradigms from other areas of typical and atypical child psychology is also highlighted.

Integrating some mind and brain views of transference: the phenomena.

PubMed

Levin, F M

1997-01-01

Because understanding the underpinnings of transferential learning allows the analyst to more effectively exploit transference in the clinical situation, as well as to advance psychoanalytic theory, the functions and mechanisms of transference phenomena in learning are subjected to an interdisciplinary analysis. Through transference the brain creates hierarchical databases that make emotional sense of the world, especially the world of human relationships. Transference plays a role in defense and resistance clinically; less explored but equally important is the adaptive potential of transference and its effect on an individual's readiness for structural change through the activation of working memory. Most investigators within psychoanalysis have not considered the importance of similarity judgments and memory priming, especially as these help to explain why transference and its proper handling are effective in treatment. Yet there are complex relationships among transference, similarity judgment, and memory priming that tie together psychoanalysis, cognitive psychology, and neurophysiology. Evidence increasingly suggests a relationship between transference and the transfer of knowledge between various content domains (databases) of mind and brain, which is essential to cognitive and emotional learning. There are indications as well that transference decisively facilitates learning readiness ("windows") in general by means of two of its components: free association and spontaneous (self-initiated) activity. The important question of which mind/brain mechanisms motivate transference is not yet understood comprehensively. However, Vygotsky's work on the zone of proximal development (ZPD), M.Stern's teleonomic theory, schema theory, and neural network theory offer further insights into what motivates transference.

Decision Making Processes and Outcomes

PubMed Central

Hicks Patrick, Julie; Steele, Jenessa C.; Spencer, S. Melinda

2013-01-01

The primary aim of this study was to examine the contributions of individual characteristics and strategic processing to the prediction of decision quality. Data were provided by 176 adults, ages 18 to 93 years, who completed computerized decision-making vignettes and a battery of demographic and cognitive measures. We examined the relations among age, domain-specific experience, working memory, and three measures of strategic information search to the prediction of solution quality using a 4-step hierarchical linear regression analysis. Working memory and two measures of strategic processing uniquely contributed to the variance explained. Results are discussed in terms of potential advances to both theory and intervention efforts. PMID:24282638

Veterans' informal caregivers in the "sandwich generation": a systematic review toward a resilience model.

PubMed

Smith-Osborne, Alexa; Felderhoff, Brandi

2014-01-01

Social work theory advanced the formulation of the construct of the sandwich generation to apply to the emerging generational cohort of caregivers, most often middle-aged women, who were caring for maturing children and aging parents simultaneously. This systematic review extends that focus by synthesizing the literature on sandwich generation caregivers for the general aging population with dementia and for veterans with dementia and polytrauma. It develops potential protective mechanisms based on empirical literature to support an intervention resilience model for social work practitioners. This theoretical model addresses adaptive coping of sandwich- generation families facing ongoing challenges related to caregiving demands.

Tunable Stable Levitation Based on Casimir Interaction between Nanostructures

NASA Astrophysics Data System (ADS)

Liu, Xianglei; Zhang, Zhuomin M.

2016-03-01

Quantum levitation enabled by repulsive Casimir force has been desirable due to the potential exciting applications in passive-suspension devices and frictionless bearings. In this paper, dynamically tunable stable levitation is theoretically demonstrated based on the configuration of dissimilar gratings separated by an intervening fluid using exact scattering theory. The levitation position is insensitive to temperature variations and can be actively tuned by adjusting the lateral displacement between the two gratings. This work investigates the possibility of applying quantum Casimir interactions into macroscopic mechanical devices working in a noncontact and low-friction environment for controlling the position or transducing lateral movement into vertical displacement at the nanoscale.

Korean Affairs Report, Kulloja, Number 2, February 1985.

DTIC Science & Technology

1985-08-16

34Theory of Cinematic Art" systematizes the ideology and theory of chuche art and literature, and the ideology and theory developed therein are...prime examples of our party s ideology and theory overflowing with profound content. In the beloved Comrade Kim Chong-il’s "Theory of Cinematic Art...be created in works with a theme of socialist realism , and the process of the revolutionization and working classization of individuals diversely

Current conserving theory at the operator level

NASA Astrophysics Data System (ADS)

Yuan, Jiangtao; Wang, Yin; Wang, Jian

The basic assumption of quantum transport in mesoscopic systems is that the total charge inside the scattering region is zero. This means that the potential deep inside reservoirs is effectively screened and therefore the electric field at interface of scattering region is zero. Thus the current conservation condition can be satisfied automatically which is an important condition in mesoscopic transport. So far the current conserving ac theory is well developed by considering the displacement current which is due to Coulomb interaction if we just focus on the average current. However, the frequency dependent shot noise does not satisfy the conservation condition since we do not consider the current conservation at the operator level. In this work, we formulate a generalized current conserving theory at the operator level using non-equilibrium Green's function theory which could be applied to both average current and frequency dependent shot noise. A displacement operator is derived for the first time so that the frequency dependent correlation of displacement currents could be investigated. Moreover, the equilibrium shot noise is investigated and a generalized fluctuation-dissipation relationship is presented.

Theory of the water vapor continuum and validations

NASA Technical Reports Server (NTRS)

Tipping, Richard H.; Ma, Q.

1995-01-01

A far-wing line shape theory based on the binary collision and quasistatic approximations that is applicable for both the low- and high-frequency wings of the vibration-rotational bands has been developed. This theory has been applied in order to calculate the frequency and temperature dependence of the continuous absorption coefficient for frequencies up to 10,000 cm(exp -1) for pure H2O and for H2O-N2 mixtures. The calculations were made assuming an interaction potential consisting of an isotropic Lennard-Jones part with two parameters that are consistent with values obtained from other data, and the leading long-range anisotropic part, together with the measured line strengths and transition frequencies. The results, obtained without the introduction of adjustable parameters, compare well with the existing laboratory data, both in magnitude and in temperature dependence. This leads us to the conclusion that the water continuum can be explained in terms of far-wing absorption. Current work in progress to extend the theory and to validate the theoretically calculated continuum will be discussed briefly.

Nonequilibrium Phase Transitions and a Nonequilibrium Critical Point from Anti-de Sitter Space and Conformal Field Theory Correspondence

NASA Astrophysics Data System (ADS)

Nakamura, Shin

2012-09-01

We find novel phase transitions and critical phenomena that occur only outside the linear-response regime of current-driven nonequilibrium states. We consider the strongly interacting (3+1)-dimensional N=4 large-Nc SU(Nc) supersymmetric Yang-Mills theory with a single flavor of fundamental N=2 hypermultiplet as a microscopic theory. We compute its nonlinear nonballistic quark-charge conductivity by using the AdS/CFT correspondence. We find that the system exhibits a novel nonequilibrium first-order phase transition where the conductivity jumps and the sign of the differential conductivity flips at finite current density. A nonequilibrium critical point is discovered at the end point of the first-order regime. We propose a nonequilibrium steady-state analogue of thermodynamic potential in terms of the gravity-dual theory in order to define the transition point. Nonequilibrium analogues of critical exponents are proposed as well. The critical behavior of the conductivity is numerically confirmed on the basis of these proposals. The present work provides a new example of nonequilibrium phase transitions and nonequilibrium critical points.

Health policy--why research it and how: health political science.

PubMed

de Leeuw, Evelyne; Clavier, Carole; Breton, Eric

2014-09-23

The establishment of policy is key to the implementation of actions for health. We review the nature of policy and the definition and directions of health policy. In doing so, we explicitly cast a health political science gaze on setting parameters for researching policy change for health. A brief overview of core theories of the policy process for health promotion is presented, and illustrated with empirical evidence. The key arguments are that (a) policy is not an intervention, but drives intervention development and implementation; (b) understanding policy processes and their pertinent theories is pivotal for the potential to influence policy change; (c) those theories and associated empirical work need to recognise the wicked, multi-level, and incremental nature of elements in the process; and, therefore, (d) the public health, health promotion, and education research toolbox should more explicitly embrace health political science insights. The rigorous application of insights from and theories of the policy process will enhance our understanding of not just how, but also why health policy is structured and implemented the way it is.

Nonlocal torque operators in ab initio theory of the Gilbert damping in random ferromagnetic alloys

NASA Astrophysics Data System (ADS)

Turek, I.; Kudrnovský, J.; Drchal, V.

2015-12-01

We present an ab initio theory of the Gilbert damping in substitutionally disordered ferromagnetic alloys. The theory rests on introduced nonlocal torques which replace traditional local torque operators in the well-known torque-correlation formula and which can be formulated within the atomic-sphere approximation. The formalism is sketched in a simple tight-binding model and worked out in detail in the relativistic tight-binding linear muffin-tin orbital method and the coherent potential approximation (CPA). The resulting nonlocal torques are represented by nonrandom, non-site-diagonal, and spin-independent matrices, which simplifies the configuration averaging. The CPA-vertex corrections play a crucial role for the internal consistency of the theory and for its exact equivalence to other first-principles approaches based on the random local torques. This equivalence is also illustrated by the calculated Gilbert damping parameters for binary NiFe and FeCo random alloys, for pure iron with a model atomic-level disorder, and for stoichiometric FePt alloys with a varying degree of L 10 atomic long-range order.

Drawbacks of proactivity: Effects of daily proactivity on daily salivary cortisol and subjective well-being.

PubMed

Fay, Doris; Hüttges, Annett

2017-10-01

The benefit of proactive work behaviors for performance-related outcomes has been well established. However, this approach to studying proactivity has not yet acknowledged its potential implications for the actor's well-being. Drawing on the fact that resources at work are limited and that the workplace is a social system characterized by interdependencies, we proposed that daily proactivity could have a negative effect on daily well-being. We furthermore proposed that this effect should be mediated by work overload and negative affect. We conducted a daily diary study (N = 72) to test the potential negative effects of proactivity on daily well-being. Data was collected across 3 consecutive work days. During several daily measurement occasions, participants reported proactivity, work overload, negative affect, and fatigue. They also provided 4 saliva samples per day, from which cortisol was assayed. Based on the 4 samples, a measure of daily cortisol output was produced. Multilevel analyses showed that daily proactivity was positively associated with higher daily cortisol output. The positive association of daily proactivity with bedtime fatigue was marginally significant. There was no support for a mediating effect of work overload and negative affect. Implications for theory-building on the proactivity-well-being link are discussed. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Mean-field density functional theory of a nanoconfined classical, three-dimensional Heisenberg fluid. I. The role of molecular anchoring

NASA Astrophysics Data System (ADS)

Cattes, Stefanie M.; Gubbins, Keith E.; Schoen, Martin

2016-05-01

In this work, we employ classical density functional theory (DFT) to investigate for the first time equilibrium properties of a Heisenberg fluid confined to nanoscopic slit pores of variable width. Within DFT pair correlations are treated at modified mean-field level. We consider three types of walls: hard ones, where the fluid-wall potential becomes infinite upon molecular contact but vanishes otherwise, and hard walls with superimposed short-range attraction with and without explicit orientation dependence. To model the distance dependence of the attractions, we employ a Yukawa potential. The orientation dependence is realized through anchoring of molecules at the substrates, i.e., an energetic discrimination of specific molecular orientations. If the walls are hard or attractive without specific anchoring, the results are "quasi-bulk"-like in that they can be linked to a confinement-induced reduction of the bulk mean field. In these cases, the precise nature of the walls is completely irrelevant at coexistence. Only for specific anchoring nontrivial features arise, because then the fluid-wall interaction potential affects the orientation distribution function in a nontrivial way and thus appears explicitly in the Euler-Lagrange equations to be solved for minima of the grand potential of coexisting phases.

Do familiar teammates request and accept more backup? Transactive memory in air traffic control.

PubMed

Smith-Jentsch, Kimberly A; Kraiger, Kurt; Cannon-Bowers, Janis A; Salas, Eduardo

2009-04-01

The present study investigated factors that explain when and why different groups of teammates are more likely to request and accept backup from one another when needed in an environment characterized by extreme time pressure and severe consequences of error: commercial air traffic control (ATC). Transactive memory theory states that teammates develop consensus regarding the distribution of their relative expertise as well as confidence in that expertise over time and that this facilitates coordination processes. The present study investigated whether this theory could help to explain between-team differences in requesting and accepting backup when needed. The present study used cross-sectional data collected from 51 commercial ATC teams. Hypotheses were tested using multiple regression analysis. Teammates with greater experience working together requested and accepted backup from one another more than those with lesser experience working together. Teammate knowledge consensus and perceived team efficacy appear to have mediated this relationship. Transactive memory theory extends to high-stress environments in which members' expertise is highly overlapping. Teammates' shared mental models about one another increase the likelihood that they will request and accept backup. Teammate familiarity should be considered when choosing among potential replacement team members. Training strategies that accelerate the development of teammate knowledge consensus and team efficacy are warranted.

Harsh humour: a therapeutic discourse.

PubMed

McCreaddie, May

2010-11-01

Humour research in healthcare has tended to focus on rehearsed as opposed to spontaneous humour. This paper reports an empirical example of spontaneous humour in healthcare interactions: a negative case analysis from a constructivist grounded theory study. Twenty Clinical Nurse Specialist (CNS)-patient interactions and CNS pre- and postinteraction audio diaries provided the baseline data corpus. Follow-up interviews, field notes, focus groups and observations serviced theory generation with a constant comparison approach to data collection and analyses. Interpretative and illustrative frameworks incorporating humour theories, non-laughter humour support, discursive features and prosodical features of speech were applied to all data. This paper is based upon the negative case comprising a 90-minute follow-up interview and 10 hours of field note observations. The negative case - a CNS working with female drug users' sexual and reproductive health needs - contradicted emerging findings from the baseline data corpus. First, the negative case had greater awareness of humour, deliberately initiated humour and recognised parameters and exclusion zones. Second, a good patient personal was evident in the baseline data corpus but the negative case worked with 'bad' patients. Accordingly, a specific type of humour - harsh humour - was evident in the negative case. Harsh humour used areas of potential discord (e.g. drug use) as a focus of humour creation and maintenance. The deliberate initiation of harsh humour enabled the negative case and her colleagues to achieve their aims by engaging effectively with unpredictable, reluctant and recalcitrant patients. The negative case demonstrates how humour can be used to therapeutically enhance healthcare interactions with disenfranchised individuals. Humour is not superficial but integral to the accomplishment of key aspects of interactions. Health and social care workers should consider the potential for therapeutic humour to engage and maintain all patients - disenfranchised or otherwise - in healthcare interactions. © 2010 Blackwell Publishing Ltd.

Unified theory of nonlinear electrodynamics and gravity

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

Torres-Gomez, Alexander; Krasnov, Kirill; Scarinci, Carlos

2011-01-15

We describe a class of unified theories of electromagnetism and gravity. The Lagrangian is of the BF type, with a potential for the B field, the gauge group is U(2) (complexified). Given a choice of the potential function the theory is a deformation of (complex) general relativity and electromagnetism, and describes just two propagating polarizations of the graviton and two of the photon. When gravity is switched off the theory becomes the usual nonlinear electrodynamics with a general structure function. The Einstein-Maxwell theory can be recovered by sending some of the parameters of the defining potential to zero, but formore » any generic choice of the potential the theory is indistinguishable from Einstein-Maxwell at low energies. A real theory is obtained by imposing suitable reality conditions. We also study the spherically-symmetric solution and show how the usual Reissner-Nordstrom solution is recovered.« less

The Effects of Hydrogen-Like Impurity and Temperature on State Energies and Transition Frequency of Strong-Coupling Bound Polaron in an Asymmetric Gaussian Potential Quantum Well

NASA Astrophysics Data System (ADS)

Xiao, Jing-lin

2018-02-01

In the present work, we study the ground state energy, the first excited state energy and the transition frequency (TF) between the two states of the strong-coupling impurity bound polaron in an asymmetric Gaussian potential quantum well (AGPQW) by using the variational method of the Pekar type. By employing quantum statistics theory, the temperature effect on the state energies (SEs) and the TF are also calculated with a hydrogen-like impurity at the coordinate origin of the AGPQW. According to the obtained results, we found that the SEs and the TF are increasing functions of the temperature, whereas they are decreasing ones of the Coulombic impurity potential.

Goethe's Conception of "Experiment as Mediator" and Implications for Practical Work in School Science

NASA Astrophysics Data System (ADS)

Park, Wonyong; Song, Jinwoong

2018-03-01

There has been growing criticism over the aims, methods, and contents of practical work in school science, particularly concerning their tendency to oversimplify the scientific practice with focus on the hypothesis-testing function of experiments. In this article, we offer a reading of Johann Wolfgang von Goethe's scientific writings—particularly his works on color as an exquisite articulation of his ideas about experimentation—through the lens of practical school science. While avoiding the hasty conclusions made from isolated experiments and observations, Goethe sought in his experiments the interconnection among diverse natural phenomena and rejected the dualistic epistemology about the relation of humans and nature. Based on a close examination of his color theory and its underlying epistemology, we suggest three potential contributions that Goethe's conception of scientific experimentation can make to practical work in school science.

A Riemannian geometric mapping technique for identifying incompressible equivalents to subsonic potential flows

NASA Astrophysics Data System (ADS)

German, Brian Joseph

This research develops a technique for the solution of incompressible equivalents to planar steady subsonic potential flows. Riemannian geometric formalism is used to develop a gauge transformation of the length measure followed by a curvilinear coordinate transformation to map the given subsonic flow into a canonical Laplacian flow with the same boundary conditions. The effect of the transformation is to distort both the immersed profile shape and the domain interior nonuniformly as a function of local flow properties. The method represents the full nonlinear generalization of the classical methods of Prandtl-Glauert and Karman-Tsien. Unlike the classical methods which are "corrections," this method gives exact results in the sense that the inverse mapping produces the subsonic full potential solution over the original airfoil, up to numerical accuracy. The motivation for this research was provided by an observed analogy between linear potential flow and the special theory of relativity that emerges from the invariance of the d'Alembert wave equation under Lorentz transformations. This analogy is well known in an operational sense, being leveraged widely in linear unsteady aerodynamics and acoustics, stemming largely from the work of Kussner. Whereas elements of the special theory can be invoked for compressibility effects that are linear and global in nature, the question posed in this work was whether other mathematical techniques from the realm of relativity theory could be used to similar advantage for effects that are nonlinear and local. This line of thought led to a transformation leveraging Riemannian geometric methods common to the general theory of relativity. A gauge transformation is used to geometrize compressibility through the metric tensor of the underlying space to produce an equivalent incompressible flow that lives not on a plane but on a curved surface. In this sense, forces owing to compressibility can be ascribed to the geometry of space in much the same way that general relativity ascribes gravitational forces to the curvature of space-time. Although the analogy with general relativity is fruitful, it is important not to overstate the similarities between compressibility and the physics of gravity, as the interest for this thesis is primarily in the mathematical framework and not physical phenomenology or epistemology. The thesis presents the philosophy and theory for the transformation method followed by a numerical method for practical solutions of equivalent incompressible flows over arbitrary closed profiles. The numerical method employs an iterative approach involving the solution of the equivalent incompressible flow with a panel method, the calculation of the metric tensor for the gauge transformation, and the solution of the curvilinear coordinate mapping to the canonical flow with a finite difference approach for the elliptic boundary value problem. This method is demonstrated for non-circulatory flow over a circular cylinder and both symmetric and lifting flows over a NACA 0012 profile. Results are validated with accepted subcritical full potential test cases available in the literature. For chord-preserving mapping boundary conditions, the results indicate that the equivalent incompressible profiles thicken with Mach number and develop a leading edge droop with increased angle of attack. Two promising areas of potential applicability of the method have been identified. The first is in airfoil inverse design methods leveraging incompressible flow knowledge including heuristics and empirical data for the potential field effects on viscous phenomena such as boundary layer transition and separation. The second is in aerodynamic testing using distorted similarity-scaled models.

A realist review to understand the efficacy and outcomes of interventions designed to minimise, reverse or prevent the progression of frailty.

PubMed

Gwyther, Holly; Bobrowicz-Campos, Elzbieta; Apóstolo, João Luis Alves; Marcucci, Maura; Cano, Antonio; Holland, Carol

2018-06-25

Interventions to minimise, reverse or prevent the progression of frailty in older adults represent a potentially viable route to improving quality of life and care needs in older adults. Intervention methods used across European Innovation Partnership on Active and Healthy Ageing collaborators were analysed, along with findings from literature reviews to determine 'what works for whom in what circumstances'. A realist review of FOCUS study literature reviews, 'real-world' studies and grey literature was conducted according to RAMESES (Realist and Meta-narrative Evidence Synthesis: Evolving Standards), and used to populate a framework analysis of theories of why frailty interventions worked, and theories of why frailty interventions did not work. Factors were distilled into mechanisms deriving from theories of causes of frailty, management of frailty and those based on the intervention process. We found that studies based on resolution of a deficiency in an older adult were only successful when there was indeed a deficiency. Client-centred interventions worked well when they had a theoretical grounding in health psychology and offered choice over intervention elements. Healthcare organisational interventions were found to have an impact on success when they were sufficiently different from usual care. Compelling evidence for the reduction of frailty came from physical exercise, or multicomponent (exercise, cognitive, nutrition, social) interventions in group settings. The group context appears to improve participants' commitment and adherence to the programme. Suggested mechanisms included commitment to co-participants, enjoyment and social interaction. In conclusion, initial frailty levels, presence or absence of specific deficits, and full person and organisational contexts should be included as components of intervention design. Strategies to enhance social and psychological aspects should be included even in physically focused interventions.

Supported Decision-Making: Implications from Positive Psychology for Assessment and Intervention in Rehabilitation and Employment.

PubMed

Uyanik, Hatice; Shogren, Karrie A; Blanck, Peter

2017-12-01

Purpose This article reviews existing literature on positive psychology, supported decision-making (SDM), employment, and disability. It examines interventions and assessments that have been empirically evaluated for the enhancement of decision-making and overall well-being of people with disabilities. Additionally, conceptual themes present in the literature were explored. Methods A systematic review was conducted across two databases (ERIC and PsychINFO) using various combination of keywords of 'disabilit*', work rehabilitation and employment terms, positive psychology terms, and SDM components. Seven database searches were conducted with diverse combinations of keywords, which identified 1425 results in total to be screened for relevance using their titles and abstracts. Database search was supplemented with hand searches of oft-cited journals, ancestral search, and supplemental search from grey literature. Results Only four studies were identified in the literature targeting SDM and positive psychology related constructs in the employment and job development context. Results across the studies indicated small to moderate impacts of the assessment and interventions on decision-making and engagement outcomes. Conceptually there are thematic areas of potential overlap, although they are limited in the explicit integration of theory in supported decision-making, positive psychology, disability, and employment. Conclusion Results suggest a need for additional scholarship in this area that focuses on theory development and integration as well as empirical work. Such work should examine the potential utility of considering positive psychological interventions when planning for SDM in the context of career development activities to enhance positive outcomes related to decision-making, self-determination, and other positive psychological constructs.

Effect of nanoscale size and medium on metal work function in oleylamine-capped gold nanocrystals

NASA Astrophysics Data System (ADS)

Abdellatif, M. H.; Ghosh, S.; Liakos, I.; Scarpellini, A.; Marras, S.; Diaspro, A.; Salerno, M.

2016-02-01

The work function is an important material property with several applications in photonics and optoelectronics. We aimed to characterize the work function of clusters resulting from gold nanocrystals capped with oleylamine surfactant and drop-casted onto gold substrate. We used scanning Kelvin probe microscopy to investigate the work function, and complemented our study mainly with X-ray diffraction and X-ray photoelectron spectroscopy. The oleylamine works as an electron blocking layer through which the electrical conduction takes place by tunneling effect. The surface potential appears to depend on the size of the clusters, which can be ascribed to their difference in effective work function with the substrate. The charge state of gold clusters is discussed in comparison with theory, and their capacitance is calculated from a semi-analytical equation. The results suggest that at the nanoscale the work function is not an intrinsic property of a material but rather depends on the size and morphology of the clusters, including also effects of the surrounding materials.

The effects of reading personal narratives written by an individual who uses AAC on the attitudes of pre-professionals in business.

PubMed

McCarthy, John W; Donofrio-Horwitz, Lacey M; Smucker, Laura M D

2010-06-01

A Solomon Four-Group Design was used to study the effects of reading personal narratives written by an individual with complex communication needs on the attitudes, potential future behaviors, and general experiences of 109 undergraduate business majors. The Attitudes Toward Nonspeaking Persons Scale (ATNP) and a scale of behavioral intentions modeled according to Ajzen's ( 1991 ) Theory of Planned Behavior were used as dependent variables. A sub-group of individuals in the experimental group participated in individual follow-up interviews. Results revealed individuals who read the narratives had more positive attitudes than those who did not; however, there were potentially reactive effects for pre-testing evident on one subscale of the ATNP scale. Interviews revealed a need for more explicit information about the workings of AAC and a need to change expectations about working with individuals with disabilities.

The institutional workers of biomedical science: Legitimizing academic entrepreneurship and obscuring conflicts of interest.

PubMed

Axler, Renata E; Miller, Fiona A; Lehoux, Pascale; Lemmens, Trudo

2018-06-01

Given growing initiatives incentivizing academic researchers to engage in 'entrepreneurial' activities, this article examines how these academic entrepreneurs claim value in their entrepreneurial engagements, and navigate concerns related to conflicts of interest. Using data from qualitative interviews with twenty-four academic entrepreneurs in Canada, we show how these scientists value entrepreneurial activities for providing financial and intellectual resources to academic science, as well as for their potential to create impact through translation. Simultaneously, these scientists claimed to maintain academic norms of disinterested science and avoid conflicts of interest. Using theories of institutional work, we demonstrate how entrepreneurial scientists engage in processes of institutional change-through-maintenance, drawing on the maintenance of academic norms as institutional resources to legitimize entrepreneurial activities. As entrepreneurial scientists work to legitimize new zones of academic scientific practice, there is a need to carefully regulate and scrutinize these activities so that their potential harms do not become obscured.

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

Mattsson, Ann E.

Density Functional Theory (DFT) based Equation of State (EOS) construction is a prominent part of Sandia’s capabilities to support engineering sciences. This capability is based on augmenting experimental data with information gained from computational investigations, especially in those parts of the phase space where experimental data is hard, dangerous, or expensive to obtain. A key part of the success of the Sandia approach is the fundamental science work supporting the computational capability. Not only does this work enhance the capability to perform highly accurate calculations but it also provides crucial insight into the limitations of the computational tools, providing highmore » confidence in the results even where results cannot be, or have not yet been, validated by experimental data. This report concerns the key ingredient of projector augmented-wave (PAW) potentials for use in pseudo-potential computational codes. Using the tools discussed in SAND2012-7389 we assess the standard Vienna Ab-initio Simulation Package (VASP) PAWs for Molybdenum.« less

The Impossibility of a Theory of Everything

NASA Astrophysics Data System (ADS)

Porter, Tom G.

Interdisciplinary work is a philosophical necessity to advance human understanding. This will be demonstrated through a review of ancient and recent literature about why a theory of everything is impossible. Interdisciplinary work that includes theoretically separate perspectives about how the world works is needed to advance understanding. Any one discipline will improve through interactions with other disciplines. This is different from a convergence of theories, because interdisciplinary work fails when independence among the theories is absent. A non-trivial example of the consequence is the 5 billion financial crisis caused in 1998 by Long Term Credit Management (LTCM) hedge fund. The LTCM example shows how the use of analogy and metaphor that facilitates interdisciplinary work is also the means where theoretical independence is undermined. Advancement of human understanding requires collaboration among theoretically separate perspectives.

Demystifying theory and its use in improvement.

PubMed

Davidoff, Frank; Dixon-Woods, Mary; Leviton, Laura; Michie, Susan

2015-03-01

The role and value of theory in improvement work in healthcare has been seriously underrecognised. We join others in proposing that more informed use of theory can strengthen improvement programmes and facilitate the evaluation of their effectiveness. Many professionals, including improvement practitioners, are unfortunately mystified-and alienated-by theory, which discourages them from using it in their work. In an effort to demystify theory we make the point in this paper that, far from being discretionary or superfluous, theory ('reason-giving'), both informal and formal, is intimately woven into virtually all human endeavour. We explore the special characteristics of grand, mid-range and programme theory; consider the consequences of misusing theory or failing to use it; review the process of developing and applying programme theory; examine some emerging criteria of 'good' theory; and emphasise the value, as well as the challenge, of combining informal experience-based theory with formal, publicly developed theory. We conclude that although informal theory is always at work in improvement, practitioners are often not aware of it or do not make it explicit. The germane issue for improvement practitioners, therefore, is not whether they use theory but whether they make explicit the particular theory or theories, informal and formal, they actually use. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.

Exploration of Global Health Careers Across the Medical Fields.

PubMed

Barthélemy, Ernest; Mallol, Vanessa; Hannaford, Alisse; Pean, Christian; Kutua, Rehema; de Haydu, Christopher; Anandaraja, Natasha; Asgary, Ramin; Elahi, Ebrahim; Hexom, Braden; Landrigan, Philip; Shirazian, Taraneh; Katz, Craig

Despite expansion of interest among American medical students in global health (GH), academic medical centers face multiple obstacles to the development of structured GH curricula and career guidance. To meet these demands we sought to provide a systematic analysis of the accounts of GH experts. We developed a collaborative, interview-based, qualitative analysis of GH experiences across six career-related themes that are relevant to medical students interested in GH: justification, medical education, economics, research prospects, law and ethics, and work-life balance. Seven GH faculty members were interviewed for 30-90 minutes using sample questions as guidelines. We applied a grounded theory approach to analyze the interview transcripts to discover an emerging theory pertinent to GH trainees. Regarding justification, 4 respondents defined GH as work with the underserved irrespective of geographic location; 5 respondents found sustainability imperative; and all respondents believe GH creates better physicians. Respondents identified many physician competencies developed through GH medical education, with 5 respondents agreeing that work with underserved populations has transformative potential. Concerning economics, 3 respondents acknowledged GH's popularity among trainees, resulting in increased training opportunities, and 2 respondents emphasized an associated deficiency in program quality. All respondents described career models across specialties. Four respondents noted funding challenges when discussing research prospects. Within the theme of laws and ethics, 4 respondents perceived inadequate accountability, and 6 respondents identified ways to create accountability. Finally, 6 respondents recognized family demands can compromise one's GH career and thus work-life balance. Despite diverse perspectives on the meaning and sustainability of GH work, this analysis provides a nascent framework that may inform curricular development for GH trainees. Suggestions are offered for elaborating this framework to fully exploit the transformative potential of GH training in medical education. Copyright © 2017 Icahn School of Medicine at Mount Sinai. Published by Elsevier Inc. All rights reserved.

Stochastic treatment of electron multiplication without scattering in dielectrics

NASA Technical Reports Server (NTRS)

Lin, D. L.; Beers, B. L.

1981-01-01

By treating the emission of optical phonons as a Markov process, a simple analytic method is developed for calculating the electronic ionization rate per unit length for dielectrics. The effects of scattering from acoustic and optical phonons are neglected. The treatment obtains universal functions in recursive form, the theory depending on only two dimensionless energy ratios. A comparison of the present work with other numerical approaches indicates that the effect of scattering becomes important only when the electric potential energy drop in a mean free path for optical-phonon emission is less than about 25% of the ionization potential. A comparison with Monte Carlo results is also given for Teflon.

Computational predictions of zinc oxide hollow structures

NASA Astrophysics Data System (ADS)

Tuoc, Vu Ngoc; Huan, Tran Doan; Thao, Nguyen Thi

2018-03-01

Nanoporous materials are emerging as potential candidates for a wide range of technological applications in environment, electronic, and optoelectronics, to name just a few. Within this active research area, experimental works are predominant while theoretical/computational prediction and study of these materials face some intrinsic challenges, one of them is how to predict porous structures. We propose a computationally and technically feasible approach for predicting zinc oxide structures with hollows at the nano scale. The designed zinc oxide hollow structures are studied with computations using the density functional tight binding and conventional density functional theory methods, revealing a variety of promising mechanical and electronic properties, which can potentially find future realistic applications.

Sociocultural Behavior Influence Modelling & Assessment: Current Work and Research Frontiers.

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

Bernard, Michael Lewis

A common problem associated with the effort to better assess potential behaviors of various individuals within different countries is the shear difficulty in comprehending the dynamic nature of populations, particularly over time and considering feedback effects. This paper discusses a theory-based analytical capability designed to enable analysts to better assess the influence of events on individuals interacting within a country or region. These events can include changes in policy, man-made or natural disasters, migration, war, or other changes in environmental/economic conditions. In addition, this paper describes potential extensions of this type of research to enable more timely and accurate assessments.

Electrostatic potential barrier for electron emission at graphene edges induced by the nearly free electron states

NASA Astrophysics Data System (ADS)

Gao, Yanlin; Okada, Susumu

2017-05-01

Using the density functional theory, we studied the electronic structures of zigzag graphene nanoribbons with hydroxyl, H, ketone, aldehyde, or carboxyl terminations under a lateral electric field. The critical electric field for electron emission is proportional to the work function of the functionalized edges except the hydroxylated edge, which leads to the anomalous electric field outside the edge, owing to the electrons in the nearly free electron (NFE) state in the vacuum region. The strong electric field also causes a potential barrier for the electron emission from the H-terminated edge owing to the downward shift of the NFE state.

Surface calculations with asymptotically long-ranged potentials in the full-potential linearized augmented plane-wave method

NASA Astrophysics Data System (ADS)

Ye, Lin-Hui

2015-09-01

Although the supercell method has been widely used for surface calculations, it only works well with short-ranged potentials, but meets difficulty when the potential decays very slowly into the vacuum. Unfortunately, the exact exchange-correlation potential of the density functional theory is asymptotically long ranged, and therefore is not easily handled by use of supercells. This paper illustrates that the authentic slab geometry, another technique for surface calculations, is not affected by this issue: It works equally well with both short- and long-ranged potentials, with the computational cost and the convergence speed being essentially the same. Using the asymptotically long-ranged Becke-Roussel'89 exchange potential as an example, we have calculated six surfaces of various types. We found that accurate potential values can be obtained even in extremely low density regions of more than 100 Å away from the surface. This high performance allows us to explore the asymptotic region, and prove with clean numerical evidence that the Becke-Roussel'89 potential satisfies the correct asymptotic behavior for slab surfaces, as it does for finite systems. Our finding further implies that the Slater component of the exact exchange optimized effective potential is responsible for the asymptotic behavior, not only for jellium slabs, but for slabs of any type. The Becke-Roussel'89 potential may therefore be used to build asymptotically correct model exchange potentials applicable to both finite systems and slab surfaces.

Symmetry, Contingency, Complexity: Accommodating Uncertainty in Public Relations Theory.

ERIC Educational Resources Information Center

Murphy, Priscilla

2000-01-01

Explores the potential of complexity theory as a unifying theory in public relations, where scholars have recently raised problems involving flux, uncertainty, adaptiveness, and loss of control. Describes specific complexity-based methodologies and their potential for public relations studies. Offers an account of complexity theory, its…

Enhancing the accuracy of the Fowler method for monitoring non-constant work functions

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

Friedl, R., E-mail: roland.friedl@physik.uni-augsburg.de

2016-04-15

The Fowler method is a prominent non-invasive technique to determine the absolute work function of a surface based on the photoelectric effect. The evaluation procedure relies on the correlation of the photocurrent with the incident photon energy hν which is mainly dependent on the surface work function χ. Applying Fowler’s theory of the photocurrent, the measurements can be fitted by the theoretical curve near the threshold hν⪆χ yielding the work function χ and a parameter A. The straightforward experimental implementation of the Fowler method is to use several particular photon energies, e.g. via interference filters. However, with a realization likemore » that the restriction hν ≈ χ can easily be violated, especially when the work function of the material is decreasing during the measurements as, for instance, with coating or adsorption processes. This can lead to an overestimation of the evaluated work function value of typically some 0.1 eV, reaching up to more than 0.5 eV in an unfavorable case. A detailed analysis of the Fowler theory now reveals the background of that effect and shows that the fit-parameter A can be used to assess the accuracy of the determined value of χ conveniently during the measurements. Moreover, a scheme is introduced to quantify a potential overestimation and to perform a correction to χ to a certain extent. The issues are demonstrated exemplarily at the monitoring of the work function reduction of a stainless steel sample surface due to caesiation.« less

Differential geometry based solvation model II: Lagrangian formulation.

PubMed

Chen, Zhan; Baker, Nathan A; Wei, G W

2011-12-01

Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation models. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The optimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and PB equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for the purpose of computation, thanks to the equivalence of the Laplace-Beltrami operator in the two representations. The coupled partial differential equations (PDEs) are solved with an iterative procedure to reach a steady state, which delivers desired solvent-solute interface and electrostatic potential for problems of interest. These quantities are utilized to evaluate the solvation free energies and protein-protein binding affinities. A number of computational methods and algorithms are described for the interconversion of Lagrangian and Eulerian representations, and for the solution of the coupled PDE system. The proposed approaches have been extensively validated. We also verify that the mean curvature flow indeed gives rise to the minimal molecular surface and the proposed variational procedure indeed offers minimal total free energy. Solvation analysis and applications are considered for a set of 17 small compounds and a set of 23 proteins. The salt effect on protein-protein binding affinity is investigated with two protein complexes by using the present model. Numerical results are compared to the experimental measurements and to those obtained by using other theoretical methods in the literature. © Springer-Verlag 2011

Differential geometry based solvation model II: Lagrangian formulation

PubMed Central

Chen, Zhan; Baker, Nathan A.; Wei, G. W.

2010-01-01

Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation model. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory (SPT) of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The minimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and Poisson-Boltzmann equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for the purpose of computation, thanks to the equivalence of the Laplace-Beltrami operator in the two representations. The coupled partial differential equations (PDEs) are solved with an iterative procedure to reach a steady state, which delivers desired solvent-solute interface and electrostatic potential for problems of interest. These quantities are utilized to evaluate the solvation free energies and protein-protein binding affinities. A number of computational methods and algorithms are described for the interconversion of Lagrangian and Eulerian representations, and for the solution of the coupled PDE system. The proposed approaches have been extensively validated. We also verify that the mean curvature flow indeed gives rise to the minimal molecular surface (MMS) and the proposed variational procedure indeed offers minimal total free energy. Solvation analysis and applications are considered for a set of 17 small compounds and a set of 23 proteins. The salt effect on protein-protein binding affinity is investigated with two protein complexes by using the present model. Numerical results are compared to the experimental measurements and to those obtained by using other theoretical methods in the literature. PMID:21279359

A Super Contribution to Vocational Theory: Work Values.

ERIC Educational Resources Information Center

Zytowski, Donald G.

1994-01-01

Traces influence of Donald Super in introducing work values into career development/vocational theory. Reviews conceptualization, taxonomy, and assessment of work values. Presents research bearing on Super's "onion model," representing his views on relationship of work values to other affective variables. Reviews research regarding functional role…

A Floating Potential Method for Determining Ion Density

NASA Astrophysics Data System (ADS)

Evans, John D.; Chen, Francis F.

2001-10-01

The density n in partially ionized discharges is often found from the saturation ion current Ii of a cylindrical Langmuir probe. Collisionless probe theories, however, disagree with measured I - V curves probably because of collisions^1. We use a heuristic method that yields n from probe data agreeing with microwave interferometry. Probe current I is raised to the 4/3 power and fitted to a straight line on an I^4/3-V plot. The line is extrapolated to the floating potential V_f, thus approximating I_i(V_f). The sheath thickness d_sh for V = Vf is calculated from the Child-Langmuir (CL) law, and applying the Bohm sheath criterion to the surface at r_sh = Rp + d_sh yields n when Ii = I_i(V_f). This method works, but it cannot be justified by theory. Neglected are (a) cylindrical convergence of the ion charge, (b) finite ion energy at r = r_sh, (c) ions orbiting the probe, and (d) escape of ions axially. The Allen-Boyd-Reynolds theory, which treats (a) and (b) and neglects (c) and (d), gives too low n's. Apparently the errors self-cancel, and the simple Vf method gives the right result. ^1 F.F. Chen, Phys. Plasmas 8, 3029 (2001).

The Contributions of Applied Behavior Analysis and Behavior Theory to Innovative Research and Practice Cultures in Social Work.

PubMed

Briggs, Harold Eugene; Sharkey, Caroline; Briggs, Adam Christopher

2016-01-01

In this article the authors tie the emergence of an empirical practice research culture, which enabled the rise in evidence-based practice in social work to the introduction of applied behavior analysis and behavioral theory to social work practice and research. The authors chronicle the: (1) scientific foundations of social work, (2) influence and push by corporatized university cultures for higher scholarship productivity among faculty, (3) significance of theory in general, (4) importance of behavioral theory in particular as a major trigger of the growth in research on effective social work practice approaches, and (5) commonalities between applied behavior analysis and evidence-based practice. The authors conclude with implications for addressing the dual challenges of building an enhanced research culture in schools of social work and the scholarship of transferring practice research to adoption in real world practice settings.

Lorenz, Gödel and Penrose: new perspectives on determinism and causality in fundamental physics

NASA Astrophysics Data System (ADS)

Palmer, T. N.

2014-07-01

Despite being known for his pioneering work on chaotic unpredictability, the key discovery at the core of meteorologist Ed Lorenz's work is the link between space-time calculus and state-space fractal geometry. Indeed, properties of Lorenz's fractal invariant set relate space-time calculus to deep areas of mathematics such as Gödel's Incompleteness Theorem. Could such properties also provide new perspectives on deep unsolved issues in fundamental physics? Recent developments in cosmology motivate what is referred to as the 'cosmological invariant set postulate': that the universe ? can be considered a deterministic dynamical system evolving on a causal measure-zero fractal invariant set ? in its state space. Symbolic representations of ? are constructed explicitly based on permutation representations of quaternions. The resulting 'invariant set theory' provides some new perspectives on determinism and causality in fundamental physics. For example, while the cosmological invariant set appears to have a rich enough structure to allow a description of (quantum) probability, its measure-zero character ensures it is sparse enough to prevent invariant set theory being constrained by the Bell inequality (consistent with a partial violation of the so-called measurement independence postulate). The primacy of geometry as embodied in the proposed theory extends the principles underpinning general relativity. As a result, the physical basis for contemporary programmes which apply standard field quantisation to some putative gravitational lagrangian is questioned. Consistent with Penrose's suggestion of a deterministic but non-computable theory of fundamental physics, an alternative 'gravitational theory of the quantum' is proposed based on the geometry of ?, with new perspectives on the problem of black-hole information loss and potential observational consequences for the dark universe.

Under the Influence of Genetics: How Transdisciplinarity Leads Us to Rethink Social Pathways to Illness

PubMed Central

Pescosolido, Bernice A.; Perry, Brea L.; Long, J. Scott; Martin, Jack K.; Nurnberger, John I.; Hesselbrock, Victor

2015-01-01

To extend our understanding of how social structures and social processes impact behavior, sociologists have been challenged to incorporate the potential explanatory role of genetics in their models. Here, we draw propositions from three major understandings of illness causation offered by social theory – fundamental causes, social stress processes, and social safety net theories. We tailor hypotheses to the case of alcohol dependence, long considered a multifaceted problem, defying simple explanation and having both biological and social roots. After briefly reviewing current appeals for transdisciplinary research, we describe both sociological and genetic theories, and derive propositions expected under each and under a transdisciplinary theoretical frame. Analyses of a later wave of the preeminent medical science study, the Collaborative Study on the Genetics of Alcoholism (COGA), reveals a complex interplay of how the GABRA2 gene works with and against social structural factors to produce cases meeting DSM/ICD diagnoses. When both genetic and social factors are controlled, virtually equivalent effects of each remain; and, only modest evidence suggests that genetic influence works through social structural conditions and experiences. Further exploratory analyses using multiplicative terms reveal enhanced gene-environment interactions: 1) women are largely unaffected in their risk for alcohol dependence by allele status at this candidate gene; 2) family support attenuates genetic influence; 3) childhood deprivation exacerbates genetic predispositions. We discuss how these findings lead us to consider the essential intradisciplinary tension in sociological theories (i.e., the role of proximal and distal influences in social processes). Overall, our findings point to the promise of theories blending social and genetic influences by focusing directly on dynamic, networked sequences that produce different pathways to health and illness. PMID:19569404

Coarse-Grained Molecular Monte Carlo Simulations of Liquid Crystal-Nanoparticle Mixtures

NASA Astrophysics Data System (ADS)

Neufeld, Ryan; Kimaev, Grigoriy; Fu, Fred; Abukhdeir, Nasser M.

Coarse-grained intermolecular potentials have proven capable of capturing essential details of interactions between complex molecules, while substantially reducing the number of degrees of freedom of the system under study. In the domain of liquid crystals, the Gay-Berne (GB) potential has been successfully used to model the behavior of rod-like and disk-like mesogens. However, only ellipsoid-like interaction potentials can be described with GB, making it a poor fit for many real-world mesogens. In this work, the results of Monte Carlo simulations of liquid crystal domains using the Zewdie-Corner (ZC) potential are presented. The ZC potential is constructed from an orthogonal series of basis functions, allowing for potentials of essentially arbitrary shapes to be modeled. We also present simulations of mixtures of liquid crystalline mesogens with nanoparticles. Experimentally these mixtures have been observed to exhibit microphase separation and formation of long-range networks under some conditions. This highlights the need for a coarse-grained approach which can capture salient details on the molecular scale while simulating sufficiently large domains to observe these phenomena. We compare the phase behavior of our simulations with that of a recently presented continuum theory. This work was made possible by the Natural Sciences and Engineering Research Council of Canada and Compute Ontario.

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

Huang, Chen, E-mail: chuang3@fsu.edu

A key element in the density functional embedding theory (DFET) is the embedding potential. We discuss two major issues related to the embedding potential: (1) its non-uniqueness and (2) the numerical difficulty for solving for it, especially for the spin-polarized systems. To resolve the first issue, we extend DFET to finite temperature: all quantities, such as the subsystem densities and the total system’s density, are calculated at a finite temperature. This is a physical extension since materials work at finite temperatures. We show that the embedding potential is strictly unique at T > 0. To resolve the second issue, wemore » introduce an efficient iterative embedding potential solver. We discuss how to relax the magnetic moments in subsystems and how to equilibrate the chemical potentials across subsystems. The solver is robust and efficient for several non-trivial examples, in all of which good quality spin-polarized embedding potentials were obtained. We also demonstrate the solver on an extended periodic system: iron body-centered cubic (110) surface, which is related to the modeling of the heterogeneous catalysis involving iron, such as the Fischer-Tropsch and the Haber processes. This work would make it efficient and accurate to perform embedding simulations of some challenging material problems, such as the heterogeneous catalysis and the defects of complicated spin configurations in electronic materials.« less

The hopelessness theory of depression: attributional aspects.

PubMed

Alloy, L B; Abramson, L Y; Metalsky, G I; Hartlage, S

1988-02-01

In this article, we clarify, expand and revise the basic postulates of the hopelessness theory of depression (Abramson, Alloy & Metalsky, 1988a; Abramson, Metalsky & Alloy, 1987, 1988b; previously referred to as the reformulated helplessness theory of depression: Abramson, Seligman & Teasdale, 1978) and place the theory more explicitly in the context of work in descriptive psychiatry about the heterogeneity among the depressive disorders. We suggest that the hopelessness theory hypothesizes the existence in nature of an, as yet, unidentified subtype of depression--'hopelessness depression'--defined, in part, by its cause. We then give a critique of work conducted to test the hopelessness theory and explicate the limitations in research strategy associated with this line of work. Our critique includes a logical analysis that deduces the conceptual and methodological inadequacies of the research strategies used to test the theory. Finally, we suggest more adequate research strategies for testing the hopelessness theory and discuss conceptual and assessment issues that will arise in conducting such tests with special emphasis on attributional styles.

Influences on Employee Perceptions of Organizational Work-Life Support: Signals and Resources

ERIC Educational Resources Information Center

Valcour, Monique; Ollier-Malaterre, Ariane; Matz-Costa, Christina; Pitt-Catsouphes, Marcie; Brown, Melissa

2011-01-01

This study examined predictors of employee perceptions of organizational work-life support. Using organizational support theory and conservation of resources theory, we reasoned that workplace demands and resources shape employees' perceptions of work-life support through two mechanisms: signaling that the organization cares about their work-life…

Motivation to learn: an overview of contemporary theories.

PubMed

Cook, David A; Artino, Anthony R

2016-10-01

To succinctly summarise five contemporary theories about motivation to learn, articulate key intersections and distinctions among these theories, and identify important considerations for future research. Motivation has been defined as the process whereby goal-directed activities are initiated and sustained. In expectancy-value theory, motivation is a function of the expectation of success and perceived value. Attribution theory focuses on the causal attributions learners create to explain the results of an activity, and classifies these in terms of their locus, stability and controllability. Social- cognitive theory emphasises self-efficacy as the primary driver of motivated action, and also identifies cues that influence future self-efficacy and support self-regulated learning. Goal orientation theory suggests that learners tend to engage in tasks with concerns about mastering the content (mastery goal, arising from a 'growth' mindset regarding intelligence and learning) or about doing better than others or avoiding failure (performance goals, arising from a 'fixed' mindset). Finally, self-determination theory proposes that optimal performance results from actions motivated by intrinsic interests or by extrinsic values that have become integrated and internalised. Satisfying basic psychosocial needs of autonomy, competence and relatedness promotes such motivation. Looking across all five theories, we note recurrent themes of competence, value, attributions, and interactions between individuals and the learning context. To avoid conceptual confusion, and perhaps more importantly to maximise the theory-building potential of their work, researchers must be careful (and precise) in how they define, operationalise and measure different motivational constructs. We suggest that motivation research continue to build theory and extend it to health professions domains, identify key outcomes and outcome measures, and test practical educational applications of the principles thus derived. © 2016 John Wiley & Sons Ltd and The Association for the Study of Medical Education.

The Relationship between the Broader Environment and the Work System in a University Setting: A Systems Approach

ERIC Educational Resources Information Center

Lone, Jon Anders; Riege, Anine H.; Bjørklund, Roald; Hoff, Thomas; Bjørkli, Cato

2017-01-01

Recent work design theories propose that the work design configuration (i.e. "work system") in an organization interacts with its broader social and economic environment. Nevertheless, there are few studies of how the broader environment affects the work system. In the present study, the authors used a qualitative theory-elaboration…

A neural-network potential through charge equilibration for WS2: From clusters to sheets

NASA Astrophysics Data System (ADS)

Hafizi, Roohollah; Ghasemi, S. Alireza; Hashemifar, S. Javad; Akbarzadeh, Hadi

2017-12-01

In the present work, we use a machine learning method to construct a high-dimensional potential for tungsten disulfide using a charge equilibration neural-network technique. A training set of stoichiometric WS2 clusters is prepared in the framework of density functional theory. After training the neural-network potential, the reliability and transferability of the potential are verified by performing a crystal structure search on bulk phases of WS2 and by plotting energy-area curves of two different monolayers. Then, we use the potential to investigate various triangular nano-clusters and nanotubes of WS2. In the case of nano-structures, we argue that 2H atomic configurations with sulfur rich edges are thermodynamically more stable than the other investigated configurations. We also studied a number of WS2 nanotubes which revealed that 1T tubes with armchair chirality exhibit lower bending stiffness.

Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms.

PubMed

Vyboishchikov, Sergei F

2016-12-05

We report correlation energies, electron densities, and exchange-correlation potentials obtained from configuration interaction and density functional calculations on spherically confined He, Be, Be 2+ , and Ne atoms. The variation of the correlation energy with the confinement radius R c is relatively small for the He, Be 2+ , and Ne systems. Curiously, the Lee-Yang-Parr (LYP) functional works well for weak confinements but fails completely for small R c . However, in the neutral beryllium atom the CI correlation energy increases markedly with decreasing R c . This effect is less pronounced at the density-functional theory level. The LYP functional performs very well for the unconfined Be atom, but fails badly for small R c . The standard exchange-correlation potentials exhibit significant deviation from the "exact" potential obtained by inversion of Kohn-Sham equation. The LYP correlation potential behaves erratically at strong confinements. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Direct discretization of planar div-curl problems

NASA Technical Reports Server (NTRS)

Nicolaides, R. A.

1989-01-01

A control volume method is proposed for planar div-curl systems. The method is independent of potential and least squares formulations, and works directly with the div-curl system. The novelty of the technique lies in its use of a single local vector field component and two control volumes rather than the other way around. A discrete vector field theory comes quite naturally from this idea and is developed. Error estimates are proved for the method, and other ramifications investigated.

Compassion satisfaction, burnout, and secondary traumatic stress in UK therapists who work with adult trauma clients.

PubMed

Sodeke-Gregson, Ekundayo A; Holttum, Sue; Billings, Jo

2013-01-01

Therapists who work with trauma clients are impacted both positively and negatively. However, most studies have tended to focus on the negative impact of the work, the quantitative evidence has been inconsistent, and the research has primarily been conducted outside the United Kingdom. This study aimed to assess the prevalence of, and identify predictor variables for, compassion satisfaction, burnout, and secondary traumatic stress in a group of UK therapists (N=253) working with adult trauma clients. An online questionnaire was developed which used The Professional Quality of Life Scale (Version 5) to assess compassion satisfaction, burnout, and secondary traumatic stress and collect demographics and other pertinent information. Whilst the majority of therapists scored within the average range for compassion satisfaction and burnout, 70% of scores indicated that therapists were at high risk of secondary traumatic stress. Maturity, time spent engaging in research and development activities, a higher perceived supportiveness of management, and supervision predicted higher potential for compassion satisfaction. Youth and a lower perceived supportiveness of management predicted higher risk of burnout. A higher risk of secondary traumatic stress was predicted in therapists engaging in more individual supervision and self-care activities, as well as those who had a personal trauma history. UK therapists working with trauma clients are at high risk of being negatively impacted by their work, obtaining scores which suggest a risk of developing secondary traumatic stress. Of particular note was that exposure to trauma stories did not significantly predict secondary traumatic stress scores as suggested by theory. However, the negative impact of working with trauma clients was balanced by the potential for a positive outcome from trauma work as a majority indicated an average potential for compassion satisfaction.

Compassion satisfaction, burnout, and secondary traumatic stress in UK therapists who work with adult trauma clients

PubMed Central

Sodeke-Gregson, Ekundayo A.; Holttum, Sue; Billings, Jo

2013-01-01

Background Therapists who work with trauma clients are impacted both positively and negatively. However, most studies have tended to focus on the negative impact of the work, the quantitative evidence has been inconsistent, and the research has primarily been conducted outside the United Kingdom. Objectives This study aimed to assess the prevalence of, and identify predictor variables for, compassion satisfaction, burnout, and secondary traumatic stress in a group of UK therapists (N=253) working with adult trauma clients. Method An online questionnaire was developed which used The Professional Quality of Life Scale (Version 5) to assess compassion satisfaction, burnout, and secondary traumatic stress and collect demographics and other pertinent information. Results Whilst the majority of therapists scored within the average range for compassion satisfaction and burnout, 70% of scores indicated that therapists were at high risk of secondary traumatic stress. Maturity, time spent engaging in research and development activities, a higher perceived supportiveness of management, and supervision predicted higher potential for compassion satisfaction. Youth and a lower perceived supportiveness of management predicted higher risk of burnout. A higher risk of secondary traumatic stress was predicted in therapists engaging in more individual supervision and self-care activities, as well as those who had a personal trauma history. Conclusions UK therapists working with trauma clients are at high risk of being negatively impacted by their work, obtaining scores which suggest a risk of developing secondary traumatic stress. Of particular note was that exposure to trauma stories did not significantly predict secondary traumatic stress scores as suggested by theory. However, the negative impact of working with trauma clients was balanced by the potential for a positive outcome from trauma work as a majority indicated an average potential for compassion satisfaction. PMID:24386550

Towards a parsimonious program theory of return to work intervention.

PubMed

Claudi Jensen, Anne Grete

2013-01-01

Presentation of a salutogenic theory of return to work (RTW). The study group include 118 unskilled Danish public employees and privately employed house-cleaners on sick leave due to musculoskeletal and/or common mental illnesses. Theory of RTW is discussed from a theoretical and empirical viewpoint, using baseline-data from an intervention study in a longitudinal, non-randomized study design with follow-up after one year. High work ability, strong social support from colleagues and over-commitment are the most important prognostic factors for RTW. An active coping style, high self-efficacy and Sense of Coherence (SOC) are found to increase RTW and high hostility and over-commitment to decrease RTW. Besides health elements in work ability are SOC, self-efficacy, social support and physical activity. Work ability and active coping mediate positive associations between RTW and health, and a negative association with stress. Work ability seems to express the intention to work decisive for RTW, reflecting the interpretation of the work/health situation based on comprehensibility, meaningfulness and manageability. It is influenced by the personal view of life, attitudes and interaction with the workplace. An ecological theory, integrating health promotion is proposed. A later paper will present the intervention study and further validation of the theory.

A behavioural approach in the development of work-related interventions for cancer survivors: an exploratory review.

PubMed

Duijts, S F A; Bleiker, E M A; Paalman, C H; van der Beek, A J

2017-09-01

The application of behavioural change models and theories has not been studied, and behavioural determinants have not been considered, in the context of cancer and work. The aim of this study is to assess the relevance of a behavioural approach in the development of work-related interventions for cancer survivors. Two search strategies were conducted to identify studies on (1) lifestyle interventions (exercise, smoking, alcohol intake and diet), based on behavioural models and theories, in cancer survivors; (2) behavioural determinants regarding work. Medline, Embase, PsycInfo, CINAHL and the Cochrane Controlled Trial Register were searched (2000-2015). Studies were assessed on their eligibility, and findings were listed and categorised. Thirty-four studies exploring lifestyle interventions in cancer survivors were retrieved. The behavioural change models and theories most regularly used were the Transtheoretical Model and Social Cognitive Theory. Furthermore, 26 studies on the role of behavioural determinants regarding work were found. The most frequently considered determinants were self-efficacy, social norms, workers' expectations towards work or recovery, attitude, motivation and meaning of work. The results indicate the significance of behavioural change models and theories and of behavioural determinants in related research areas, which encourages a behavioural approach in the development of work-related interventions for cancer survivors. © 2016 John Wiley & Sons Ltd.

My Place or Yours: Theorizing Eclectic Writing Centers.

ERIC Educational Resources Information Center

Rossini, Carol

None of the theories that inform writing center work--Freudian theory, cognitivism, feminism, postmodernism, current-traditionalism, expressivism, social constructionism, and family systems theory--offer an adequate basis for writing center work. Even when Stephen North proposed "The Idea of a Writing Center" in 1984 (still considered to…

Story Immersion of Videogames for Youth Health Promotion: A Review of Literature

PubMed Central

Baranowski, Tom; Thompson, Debbe; Buday, Richard

2012-01-01

Abstract This article reviews research in the fields of psychology, literature, communication, human–computer interaction, public health, and consumer behavior on narrative and its potential relationships with videogames and story immersion. It also reviews a narrative's role in complementing behavioral change theories and the potential of story immersion for health promotion through videogames. Videogames have potential for health promotion and may be especially promising when attempting to reach youth. An understudied characteristic of videogames is that many contain a narrative, or story. Story immersion (transportation) is a mechanism through which a narrative influences players' cognition, affect, and, potentially, health behavior. Immersion promotes the suspension of disbelief and the reduction of counterarguments, enables the story experience as a personal experience, and creates the player's deep affection for narrative protagonists. Story immersion complements behavioral change theories, including the Theory of Planned Behavior, Social Cognitive Theory, and Self-Determination Theory. Systematic investigations are needed to realize the powerful potential of interactive narratives within theory-driven research. PMID:24416639

Story Immersion of Videogames for Youth Health Promotion: A Review of Literature.

PubMed

Lu, Amy Shirong; Baranowski, Tom; Thompson, Debbe; Buday, Richard

2012-06-01

This article reviews research in the fields of psychology, literature, communication, human-computer interaction, public health, and consumer behavior on narrative and its potential relationships with videogames and story immersion. It also reviews a narrative's role in complementing behavioral change theories and the potential of story immersion for health promotion through videogames. Videogames have potential for health promotion and may be especially promising when attempting to reach youth. An understudied characteristic of videogames is that many contain a narrative, or story. Story immersion (transportation) is a mechanism through which a narrative influences players' cognition, affect, and, potentially, health behavior. Immersion promotes the suspension of disbelief and the reduction of counterarguments, enables the story experience as a personal experience, and creates the player's deep affection for narrative protagonists. Story immersion complements behavioral change theories, including the Theory of Planned Behavior, Social Cognitive Theory, and Self-Determination Theory. Systematic investigations are needed to realize the powerful potential of interactive narratives within theory-driven research.

Potential theory of radiation

NASA Technical Reports Server (NTRS)

Chiu, Huei-Huang

1989-01-01

A theoretical method is being developed by which the structure of a radiation field can be predicted by a radiation potential theory, similar to a classical potential theory. The introduction of a scalar potential is justified on the grounds that the spectral intensity vector is irrotational. The vector is also solenoidal in the limits of a radiation field in complete radiative equilibrium or in a vacuum. This method provides an exact, elliptic type equation that will upgrade the accuracy and the efficiency of the current CFD programs required for the prediction of radiation and flow fields. A number of interesting results emerge from the present study. First, a steady state radiation field exhibits an optically modulated inverse square law distribution character. Secondly, the unsteady radiation field is structured with two conjugate scalar potentials. Each is governed by a Klein-Gordon equation with a frictional force and a restoring force. This steady potential field structure and the propagation of radiation potentials are consistent with the well known results of classical electromagnetic theory. The extension of the radiation potential theory for spray combustion and hypersonic flow is also recommended.

Discrete-Layer Piezoelectric Plate and Shell Models for Active Tip-Clearance Control

NASA Technical Reports Server (NTRS)

Heyliger, P. R.; Ramirez, G.; Pei, K. C.

1994-01-01

The objectives of this work were to develop computational tools for the analysis of active-sensory composite structures with added or embedded piezoelectric layers. The targeted application for this class of smart composite laminates and the analytical development is the accomplishment of active tip-clearance control in turbomachinery components. Two distinct theories and analytical models were developed and explored under this contract: (1) a discrete-layer plate theory and corresponding computational models, and (2) a three dimensional general discrete-layer element generated in curvilinear coordinates for modeling laminated composite piezoelectric shells. Both models were developed from the complete electromechanical constitutive relations of piezoelectric materials, and incorporate both displacements and potentials as state variables. This report describes the development and results of these models. The discrete-layer theories imply that the displacement field and electrostatic potential through-the-thickness of the laminate are described over an individual layer rather than as a smeared function over the thickness of the entire plate or shell thickness. This is especially crucial for composites with embedded piezoelectric layers, as the actuating and sensing elements within these layers are poorly represented by effective or smeared properties. Linear Lagrange interpolation polynomials were used to describe the through-thickness laminate behavior. Both analytic and finite element approximations were used in the plane or surface of the structure. In this context, theoretical developments are presented for the discrete-layer plate theory, the discrete-layer shell theory, and the formulation of an exact solution for simply-supported piezoelectric plates. Finally, evaluations and results from a number of separate examples are presented for the static and dynamic analysis of the plate geometry. Comparisons between the different approaches are provided when possible, and initial conclusions regarding the accuracy and limitations of these models are given.

Why hard-nosed executives should care about management theory.

PubMed

Christensen, Clayton M; Raynor, Michael E

2003-09-01

Theory often gets a bum rap among managers because it's associated with the word "theoretical," which connotes "impractical." But it shouldn't. Because experience is solely about the past, solid theories are the only way managers can plan future actions with any degree of confidence. The key word here is "solid." Gravity is a solid theory. As such, it lets us predict that if we step off a cliff we will fall, without actually having to do so. But business literature is replete with theories that don't seem to work in practice or actually contradict each other. How can a manager tell a good business theory from a bad one? The first step is understanding how good theories are built. They develop in three stages: gathering data, organizing it into categories highlighting significant differences, then making generalizations explaining what causes what, under which circumstances. For instance, professor Ananth Raman and his colleagues collected data showing that bar code-scanning systems generated notoriously inaccurate inventory records. These observations led them to classify the types of errors the scanning systems produced and the types of shops in which those errors most often occurred. Recently, some of Raman's doctoral students have worked as clerks to see exactly what kinds of behavior cause the errors. From this foundation, a solid theory predicting under which circumstances bar code systems work, and don't work, is beginning to emerge. Once we forgo one-size-fits-all explanations and insist that a theory describes the circumstances under which it does and doesn't work, we can bring predictable success to the world of management.

Working Together Toward a Common Goal: A Grounded Theory of Nurse-Physician Collaboration.

PubMed

Fewster-Thuente, Lori

2015-01-01

Working together toward a common goal is an empirically derived theory that can guide education and practice to improve patient outcomes while saving money and lives. Grounded theory was used to explore nurses' and physicians' experiences with collaboration in order to understand the process intrinsically.

Grief and the Separation of Home and Work

ERIC Educational Resources Information Center

Walter, Tony

2009-01-01

The division of labor, together with modern transport systems and certain cultural practices, enables the separation of home and work. This creates a setting for mourning very different from pre-urban societies. Three bereavement theories (reminder theory, dual process oscillation theory, and the importance of groups in the construction of…

A Spiking Working Memory Model Based on Hebbian Short-Term Potentiation.

PubMed

Fiebig, Florian; Lansner, Anders

2017-01-04

A dominant theory of working memory (WM), referred to as the persistent activity hypothesis, holds that recurrently connected neural networks, presumably located in the prefrontal cortex, encode and maintain WM memory items through sustained elevated activity. Reexamination of experimental data has shown that prefrontal cortex activity in single units during delay periods is much more variable than predicted by such a theory and associated computational models. Alternative models of WM maintenance based on synaptic plasticity, such as short-term nonassociative (non-Hebbian) synaptic facilitation, have been suggested but cannot account for encoding of novel associations. Here we test the hypothesis that a recently identified fast-expressing form of Hebbian synaptic plasticity (associative short-term potentiation) is a possible mechanism for WM encoding and maintenance. Our simulations using a spiking neural network model of cortex reproduce a range of cognitive memory effects in the classical multi-item WM task of encoding and immediate free recall of word lists. Memory reactivation in the model occurs in discrete oscillatory bursts rather than as sustained activity. We relate dynamic network activity as well as key synaptic characteristics to electrophysiological measurements. Our findings support the hypothesis that fast Hebbian short-term potentiation is a key WM mechanism. Working memory (WM) is a key component of cognition. Hypotheses about the neural mechanism behind WM are currently under revision. Reflecting recent findings of fast Hebbian synaptic plasticity in cortex, we test whether a cortical spiking neural network model with such a mechanism can learn a multi-item WM task (word list learning). We show that our model can reproduce human cognitive phenomena and achieve comparable memory performance in both free and cued recall while being simultaneously compatible with experimental data on structure, connectivity, and neurophysiology of the underlying cortical tissue. These findings are directly relevant to the ongoing paradigm shift in the WM field. Copyright © 2017 Fiebig and Lansner.

A Spiking Working Memory Model Based on Hebbian Short-Term Potentiation

PubMed Central

Fiebig, Florian

2017-01-01

A dominant theory of working memory (WM), referred to as the persistent activity hypothesis, holds that recurrently connected neural networks, presumably located in the prefrontal cortex, encode and maintain WM memory items through sustained elevated activity. Reexamination of experimental data has shown that prefrontal cortex activity in single units during delay periods is much more variable than predicted by such a theory and associated computational models. Alternative models of WM maintenance based on synaptic plasticity, such as short-term nonassociative (non-Hebbian) synaptic facilitation, have been suggested but cannot account for encoding of novel associations. Here we test the hypothesis that a recently identified fast-expressing form of Hebbian synaptic plasticity (associative short-term potentiation) is a possible mechanism for WM encoding and maintenance. Our simulations using a spiking neural network model of cortex reproduce a range of cognitive memory effects in the classical multi-item WM task of encoding and immediate free recall of word lists. Memory reactivation in the model occurs in discrete oscillatory bursts rather than as sustained activity. We relate dynamic network activity as well as key synaptic characteristics to electrophysiological measurements. Our findings support the hypothesis that fast Hebbian short-term potentiation is a key WM mechanism. SIGNIFICANCE STATEMENT Working memory (WM) is a key component of cognition. Hypotheses about the neural mechanism behind WM are currently under revision. Reflecting recent findings of fast Hebbian synaptic plasticity in cortex, we test whether a cortical spiking neural network model with such a mechanism can learn a multi-item WM task (word list learning). We show that our model can reproduce human cognitive phenomena and achieve comparable memory performance in both free and cued recall while being simultaneously compatible with experimental data on structure, connectivity, and neurophysiology of the underlying cortical tissue. These findings are directly relevant to the ongoing paradigm shift in the WM field. PMID:28053032

Explicit polarization (X-Pol) potential using ab initio molecular orbital theory and density functional theory.

PubMed

Song, Lingchun; Han, Jaebeom; Lin, Yen-lin; Xie, Wangshen; Gao, Jiali

2009-10-29

The explicit polarization (X-Pol) method has been examined using ab initio molecular orbital theory and density functional theory. The X-Pol potential was designed to provide a novel theoretical framework for developing next-generation force fields for biomolecular simulations. Importantly, the X-Pol potential is a general method, which can be employed with any level of electronic structure theory. The present study illustrates the implementation of the X-Pol method using ab initio Hartree-Fock theory and hybrid density functional theory. The computational results are illustrated by considering a set of bimolecular complexes of small organic molecules and ions with water. The computed interaction energies and hydrogen bond geometries are in good accord with CCSD(T) calculations and B3LYP/aug-cc-pVDZ optimizations.

Resilience and work-life balance in first-line nurse manager.

PubMed

Kim, Miyoung; Windsor, Carol

2015-03-01

The aim of this study was to explore how first-line nurse managers constructed the meaning of resilience and its relationship to work-life balance for nurses in Korea. Participants were 20 first-line nurse managers working in six university hospitals. Data were collected through in-depth interviews from December 2011 to August 2012, and analyzed using Strauss and Corbin's grounded theory method. Analysis revealed that participants perceived work-life balance and resilience to be shaped by dynamic, reflective processes. The features consisting resilience included "positive thinking", "flexibility", "assuming responsibility", and "separating work and life". This perception of resilience has the potential to facilitate a shift in focus from negative to positive experiences, from rigidity to flexibility, from task-centered to person-centered thinking, and from the organization to life. Recognizing the importance of work-life balance in producing and sustaining resilience in first-line nurse managers could increase retention in the Korean nursing workforce. Copyright © 2015. Published by Elsevier B.V.

The causal theory of the resting potential of cells.

PubMed

Jäckle, Josef

2007-12-07

In this pedagogical article the causal theory of the resting potential of cells is presented, which for given extracellular ion concentrations predicts the intracellular ones simultaneously with the resting potential. In addition to the Na, K-pump, fixed charges on the membrane surfaces are taken into account. The equation determining the resting potential in the causal theory suggests a new explanation of the genesis of the resting potential. The usual criterion for an ion pump to be electrogenic is not relevant for the whole of the resting potential, and may therefore be misleading. The physical meaning of the Goldman-Hodgkin-Katz formula for the membrane potential as a diffusion potential is also explained and tested with numbers for the giant axon of the squid. A significant discrepancy between theory and experiment is found which calls for an experimental re-examination of the constitutive equations for passive potassium and sodium currents.

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

Strauss, Y.; Horwitz, L. P.; Eisenberg, E.

We discuss the quantum Lax-Phillips theory of scattering and unstable systems. In this framework, the decay of an unstable system is described by a semigroup. The spectrum of the generator of the semigroup corresponds to the singularities of the Lax-Phillips S-matrix. In the case of discrete (complex) spectrum of the generator of the semigroup, associated with resonances, the decay law is exactly exponential. The states corresponding to these resonances (eigenfunctions of the generator of the semigroup) lie in the Lax-Phillips Hilbert space, and therefore all physical properties of the resonant states can be computed. We show that the Lax-Phillips S-matrixmore » is unitarily related to the S-matrix of standard scattering theory by a unitary transformation parametrized by the spectral variable σ of the Lax-Phillips theory. Analytic continuation in σ has some of the properties of a method developed some time ago for application to dilation analytic potentials. We work out an illustrative example using a Lee-Friedrichs model for the underlying dynamical system.« less

Formation and evolution of substructures in tidal tails: spherical dark matter haloes

NASA Astrophysics Data System (ADS)

Reinoso, B.; Fellhauer, M.; Véjar, R.

2018-05-01

Recently a theory about the formation of overdensities of stars along tidal tails of globular clusters has been presented. This theory predicts the position and the time of the formation of such overdensities and was successfully tested with N-body simulations of globular clusters in a point-mass galactic potential. In this work, we present a comparison between this theory and our simulations using a dwarf galaxy orbiting two differently shaped dark matter haloes to study the effects of a cored and a cuspy halo on the formation and the evolution of tidal tails. We find no difference using a cuspy or a cored halo, however, we find an intriguing asymmetry between the leading arm and the trailing arm of the tidal tails. The trailing arm grows faster than the leading arm. This asymmetry is seen in the distance to the first overdensity and its size as well. We establish a relation between the distance to the first overdensity and the size of this overdensity.

Theory for plasticity of face-centered cubic metals.

PubMed

Jo, Minho; Koo, Yang Mo; Lee, Byeong-Joo; Johansson, Börje; Vitos, Levente; Kwon, Se Kyun

2014-05-06

The activation of plastic deformation mechanisms determines the mechanical behavior of crystalline materials. However, the complexity of plastic deformation and the lack of a unified theory of plasticity have seriously limited the exploration of the full capacity of metals. Current efforts to design high-strength structural materials in terms of stacking fault energy have not significantly reduced the laborious trial and error works on basic deformation properties. To remedy this situation, here we put forward a comprehensive and transparent theory for plastic deformation of face-centered cubic metals. This is based on a microscopic analysis that, without ambiguity, reveals the various deformation phenomena and elucidates the physical fundaments of the currently used phenomenological correlations. We identify an easily accessible single parameter derived from the intrinsic energy barriers, which fully specifies the potential diversity of metals. Based entirely on this parameter, a simple deformation mode diagram is shown to delineate a series of convenient design criteria, which clarifies a wide area of material functionality by texture control.

Theory for plasticity of face-centered cubic metals

PubMed Central

Jo, Minho; Koo, Yang Mo; Lee, Byeong-Joo; Johansson, Börje; Vitos, Levente; Kwon, Se Kyun

2014-01-01

The activation of plastic deformation mechanisms determines the mechanical behavior of crystalline materials. However, the complexity of plastic deformation and the lack of a unified theory of plasticity have seriously limited the exploration of the full capacity of metals. Current efforts to design high-strength structural materials in terms of stacking fault energy have not significantly reduced the laborious trial and error works on basic deformation properties. To remedy this situation, here we put forward a comprehensive and transparent theory for plastic deformation of face-centered cubic metals. This is based on a microscopic analysis that, without ambiguity, reveals the various deformation phenomena and elucidates the physical fundaments of the currently used phenomenological correlations. We identify an easily accessible single parameter derived from the intrinsic energy barriers, which fully specifies the potential diversity of metals. Based entirely on this parameter, a simple deformation mode diagram is shown to delineate a series of convenient design criteria, which clarifies a wide area of material functionality by texture control. PMID:24753563

Asymptotically free theory with scale invariant thermodynamics

NASA Astrophysics Data System (ADS)

Ferrari, Gabriel N.; Kneur, Jean-Loïc; Pinto, Marcus Benghi; Ramos, Rudnei O.

2017-12-01

A recently developed variational resummation technique, incorporating renormalization group properties consistently, has been shown to solve the scale dependence problem that plagues the evaluation of thermodynamical quantities, e.g., within the framework of approximations such as in the hard-thermal-loop resummed perturbation theory. This method is used in the present work to evaluate thermodynamical quantities within the two-dimensional nonlinear sigma model, which, apart from providing a technically simpler testing ground, shares some common features with Yang-Mills theories, like asymptotic freedom, trace anomaly and the nonperturbative generation of a mass gap. The present application confirms that nonperturbative results can be readily generated solely by considering the lowest-order (quasiparticle) contribution to the thermodynamic effective potential, when this quantity is required to be renormalization group invariant. We also show that when the next-to-leading correction from the method is accounted for, the results indicate convergence, apart from optimally preserving, within the approximations here considered, the sought-after scale invariance.

Gravitational decoupling and the Picard-Lefschetz approach

NASA Astrophysics Data System (ADS)

Brown, Jon; Cole, Alex; Shiu, Gary; Cottrell, William

2018-01-01

In this work, we consider tunneling between nonmetastable states in gravitational theories. Such processes arise in various contexts, e.g., in inflationary scenarios where the inflaton potential involves multiple fields or multiple branches. They are also relevant for bubble wall nucleation in some cosmological settings. However, we show that the transition amplitudes computed using the Euclidean method generally do not approach the corresponding field theory limit as Mp→∞ . This implies that in the Euclidean framework, there is no systematic expansion in powers of GN for such processes. Such considerations also carry over directly to no-boundary scenarios involving Hawking-Turok instantons. In this note, we illustrate this failure of decoupling in the Euclidean approach with a simple model of axion monodromy and then argue that the situation can be remedied with a Lorentzian prescription such as the Picard-Lefschetz theory. As a proof of concept, we illustrate with a simple model how tunneling transition amplitudes can be calculated using the Picard-Lefschetz approach.

Theory of simultaneous excitonic-superconductivity condensation II Experimental evidence and stoichiometric interpretations

NASA Astrophysics Data System (ADS)

Wong, K. W.; Ching, W. Y.

1989-04-01

We discuss a variety of experimental observations which are consistent with theory of the excitonic-enhancement model (EEM) presented earlier. The experimental works discussed are: (1) isotope substitution; (2) fluorinated YBa 2Cu 3O 7- x; (3) infrared optical spectra; (4) specific heat and tunneling gap; (5) Hall effect and nuclear spin relaxation; (6) positron annihilation; (7) utrasound velocity and sound attenuation; (8) Meissner effect and critical current; (9) antiferromagnetism and oxygen deficiency; (10) flux quantization; and (11) photoemission. A simple stoichiometric interpretation on the existing high temperature superconducting oxides based on the specific stacking of chemical subsystems is also presented. It is argued that according to EEM theory, a superconducting oxide must contain two stable oxides, one having excitonic levels such as Cu 2O; the other having intrinsic hole population at the top of the valence band such as CuO. A systematic search for other potential high Tc compounds is also suggested.

Should Psychosocial Safety Climate Theory Be Extended to Include Climate Strength?

PubMed

Afsharian, Ali; Zadow, Amy; Dollard, Maureen F; Dormann, Christian; Ziaian, Tahereh

2017-08-31

Psychosocial safety climate (PSC; climate for psychological health) is an organizational antecedent to work conditions articulated in the job demands-resources model. We responded to calls for broader consideration of organizational climate in terms of both climate level and strength. We tested PSC level and strength as main and interactive predictors of work conditions, psychological health, and engagement. Using multilevel analysis and cross-sectional data, the effects of unit-level PSC constructs were investigated in 21 hospital work units (n = 249 employees) in Australia. The correlation between PSC levels (measured at the unit mean) and PSC strength (measured as unit -1 × SD) was moderate and positive, suggesting that ceiling effects of PSC scores were not problematic. PSC level was a better predictor than PSC strength or their interactions for job demands (psychological and emotional demands), job resources (e.g., skill discretion and organizational support), and health (emotional exhaustion). For engagement, the interaction was significant-improving engagement, therefore, benefits from high levels of PSC and PSC strength within the work units. So, in answer to the research question regarding PSC theory extension, "it depends on the outcome." Research limitations are acknowledged, and the potential of the PSC model to guide the reduction of workplace psychosocial risk factors and the negative consequences is discussed. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Requisites, benefits, and challenges of sustainable HIV/AIDS system-building: where theory meets practice.

PubMed

Indyk, Debbie; Rier, David A

2006-01-01

This paper is the third and final of a series that has previously presented the rationale (Rier and Indyk, this volume) and major program elements (Indyk and Rier, this volume) of an approach to link community and tertiary sociomedical providers, clients/patients, sites, and systems into an integrated response to HIV/AIDS. The primary goal has been to improve sociomedical HIV/AIDS services for a hard-to-reach inner city population. The current paper first summarizes the main advantages (e.g., greater efficiency; more realistic, effective programs with greater credibility among the community; stimulation of knowledge production and dissemination amongst players rarely formally engaged in such activities; creation of a platform useful for other applications) of this work. It then examines some of the main organizational challenges in conducting the work (involving issues such as personnel, coordination, funding, turf conflicts, sustainability). From this discussion emerge organizational requisites to conducting this work (e.g., development of key boundary-spanning figures; attention to the specific interests of potential linkage partners; translation efforts to demonstrate the value of participation; a continuous quality improvement approach featuring wide distribution of feedback in user-friendly form; flexibility, tact and patience), so that others can adapt and apply the linkage approach to manage HIV/AIDS or other problems. Finally, we explain how theory and practice have driven one another in this work.

Engineering Redox Potential of Lithium Clusters for Electrode Material in Lithium-Ion Batteries

DOE PAGES

Kushwaha, Anoop Kumar; Sahoo, Mihir Ranjan; Nanda, Jagjit; ...

2017-07-01

Low negative electrode potential and high reactivity makes lithium (Li) ideal candidate for obtaining highest possible energy density among other materials. Here, we show a novel route with which the overall electrode potential could significantly be enhanced through selection of cluster size. In using first principles density functional theory and continuum dielectric model, we studied free energy and redox potential as well as investigated relative stability of Li n (n ≤ 8) clusters in both gas phase and solution. We found that Li 3 has the lowest negative redox potential (thereby highest overall electrode potential) suggesting that cluster based approachmore » could provide a novel way of engineering the next generation battery technology. The microscopic origin of Li 3 cluster’s superior performance is related to two major factors: gas phase ionization and difference between solvation free energy for neutral and positive ion. Taken together, our study provides insight into the engineering of redox potential in battery and could stimulate further work in this direction.« less

Engineering Redox Potential of Lithium Clusters for Electrode Material in Lithium-Ion Batteries

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

Kushwaha, Anoop Kumar; Sahoo, Mihir Ranjan; Nanda, Jagjit

Low negative electrode potential and high reactivity makes lithium (Li) ideal candidate for obtaining highest possible energy density among other materials. Here, we show a novel route with which the overall electrode potential could significantly be enhanced through selection of cluster size. In using first principles density functional theory and continuum dielectric model, we studied free energy and redox potential as well as investigated relative stability of Li n (n ≤ 8) clusters in both gas phase and solution. We found that Li 3 has the lowest negative redox potential (thereby highest overall electrode potential) suggesting that cluster based approachmore » could provide a novel way of engineering the next generation battery technology. The microscopic origin of Li 3 cluster’s superior performance is related to two major factors: gas phase ionization and difference between solvation free energy for neutral and positive ion. Taken together, our study provides insight into the engineering of redox potential in battery and could stimulate further work in this direction.« less

The Reflective Practitioner: A Contemporary Paradigm's Relevance for Social Work Education.

ERIC Educational Resources Information Center

Papell, Catherine P.; Skolnik, Louise

1992-01-01

A discussion of the role of reflective thinking in the social work professional's training and practice looks at theories on the relationship of reflection and skilled action and at contemporary social work theories. It is suggested that Donald Schon's reflection-in-action model has applications in social work education and practice. (MSE)

The Gender-Differential Impact of Work Values on Prospects in Research Careers

ERIC Educational Resources Information Center

Hüttges, Annett; Fay, Doris

2015-01-01

Women are strongly underrepresented at top positions in research, with some research suggesting the postdoctoral career stage is a critical stage for female researchers. Drawing on role congruity theory and social cognitive career theory, we tested the gender-differential impact of work values (extrinsic rewards-oriented work values and work-life…

Work motivation theory and research at the dawn of the twenty-first century.

PubMed

Latham, Gary P; Pinder, Craig C

2005-01-01

In the first Annual Review of Psychology chapter since 1977 devoted exclusively to work motivation, we examine progress made in theory and research on needs, traits, values, cognition, and affect as well as three bodies of literature dealing with the context of motivation: national culture, job design, and models of person-environment fit. We focus primarily on work reported between 1993 and 2003, concluding that goal-setting, social cognitive, and organizational justice theories are the three most important approaches to work motivation to appear in the last 30 years. We reach 10 generally positive conclusions regarding predicting, understanding, and influencing work motivation in the new millennium.

Utilizing Rogers' Theory of Self-Concept in mental health nursing.

PubMed

Hosking, P

1993-06-01

The work of mental health nurse is interactive in nature, the priority of which is the effective development and maintenance of a therapeutic relationship with clients. This field of nursing bases its practice on theories from many schools of thought in order to provide clients with the highest quality of care. One such theory is that of Carl Rogers whose practice as a psychotherapist was based on his Theory of Self-Concept. This paper examines the development of the Theory of Self-Concept from the works of Cooley, Mead, Allport and Rogers and relates to the therapeutic alliance between a primary nurse and a client who has been medically diagnosed as being 'depressed'. The implications for practice are considered and some of the difficulties of utilizing Rogers' theory on an in-patient unit are explored. The paper emphasizes the need for nurses to be aware of the use of such theories in order to enrich the care that clients receive. It also highlights the need for nurses to be aware of their own 'self' when working with clients, a state that can only be achieved if the nurses themselves have adequate clinical supervision and an environment which is supportive of such work.

A realist review of the partograph: when and how does it work for labour monitoring?

PubMed

Bedwell, Carol; Levin, Karen; Pett, Celia; Lavender, Dame Tina

2017-01-13

The partograph (or partogram) is recommended by the World Health Organisation (WHO), for monitoring labour wellbeing and progress. Concerns about limitations in the way the partograph is used in the clinical context and the potential impact on its effectiveness have led to this realist systematic review of partograph use. This review aimed to answer two key questions, 1) What is it about the partograph that works (or does not work); for whom does it work; and in what circumstances? 2) What are the essential inputs required for the partograph to work? A comprehensive search strategy encompassed key databases; including papers of varying methodologies. Papers were selected for inclusion if the focus of the paper was the partograph and related to context, mechanism or outcome. Ninety five papers were included for data synthesis. Two authors completed data extraction and synthesis. The evidence synthesis relates the evidence to identified theories of health worker acceptability, health system support, effective referral systems, human resources and health worker competence, highlighting barriers and facilitators. This first comprehensive realist synthesis of the partograph, provides the international community of maternity clinicians with a picture of potential issues and solutions related to successful labour recording and management, which is also translatable to other monitoring approaches.

Hidden Symmetries in String Theory

NASA Astrophysics Data System (ADS)

Chervonyi, Iurii

In this thesis we study hidden symmetries within the framework of string theory. Symmetries play a very important role in physics: they lead to drastic simplifications, which allow one to compute various physical quantities without relying on perturbative techniques. There are two kinds of hidden symmetries investigated in this work: the first type is associated with dynamics of quantum fields and the second type is related to integrability of strings on various backgrounds. Integrability is a remarkable property of some theories that allows one to determine all dynamical properties of the system using purely analytical methods. The goals of this thesis are twofold: extension of hidden symmetries known in General Relativity to stringy backgrounds in higher dimensions and construction of new integrable string theories. In the context of the first goal we study hidden symmetries of stringy backgrounds, with and without supersymmetry. For supersymmetric geometries produced by D-branes we identify the backgrounds with solvable equations for geodesics, which can potentially give rise to integrable string theories. Relaxing the requirement of supersymmetry, we also study charged black holes in higher dimensions and identify their hidden symmetries encoded in so-called Killing(-Yano) tensors. We construct the explicit form of the Killing(-Yano) tensors for the charged rotating black hole in arbitrary number of dimensions, study behavior of such tensors under string dualities, and use the analysis of hidden symmetries to explain why exact solutions for black rings (black holes with non-spherical event horizons) in more than five dimensions remain elusive. As a byproduct we identify the standard parameterization of AdSp x Sq backgrounds with elliptic coordinates on a flat base. The second goal of this work is construction of new integrable string theories by applying continuous deformations of known examples. We use the recent developments called (generalized) lambda-deformation to construct new integrable backgrounds depending on several continuous parameters and study analytical properties of the such deformations.

Hierarchies in Quantum Gravity: Large Numbers, Small Numbers, and Axions

NASA Astrophysics Data System (ADS)

Stout, John Eldon

Our knowledge of the physical world is mediated by relatively simple, effective descriptions of complex processes. By their very nature, these effective theories obscure any phenomena outside their finite range of validity, discarding information crucial to understanding the full, quantum gravitational theory. However, we may gain enormous insight into the full theory by understanding how effective theories with extreme characteristics--for example, those which realize large-field inflation or have disparate hierarchies of scales--can be naturally realized in consistent theories of quantum gravity. The work in this dissertation focuses on understanding the quantum gravitational constraints on these "extreme" theories in well-controlled corners of string theory. Axion monodromy provides one mechanism for realizing large-field inflation in quantum gravity. These models spontaneously break an axion's discrete shift symmetry and, assuming that the corrections induced by this breaking remain small throughout the excursion, create a long, quasi-flat direction in field space. This weakly-broken shift symmetry has been used to construct a dynamical solution to the Higgs hierarchy problem, dubbed the "relaxion." We study this relaxion mechanism and show that--without major modifications--it can not be naturally embedded within string theory. In particular, we find corrections to the relaxion potential--due to the ten-dimensional backreaction of monodromy charge--that conflict with naive notions of technical naturalness and render the mechanism ineffective. The super-Planckian field displacements necessary for large-field inflation may also be realized via the collective motion of many aligned axions. However, it is not clear that string theory provides the structures necessary for this to occur. We search for these structures by explicitly constructing the leading order potential for C4 axions and computing the maximum possible field displacement in all compactifications of type IIB string theory on toric Calabi-Yau hypersurfaces with h1,1 ≤ 4 in the Kreuzer-Skarke database. While none of these examples can sustain a super-Planckian displacement--the largest possible is 0.3 Mpl--we find an alignment mechanism responsible for large displacements in random matrix models at large h 1,1 >> 1, indicating that large-field inflation may be feasible in compactifications with tens or hundreds of axions. These results represent a modest step toward a complete understanding of large hierarchies and naturalness in quantum gravity.

Metal-Organic Heat Carrier Nanofluids

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

McGrail, B. Peter; Thallapally, Praveen K.; Blanchard, Jeremy

2013-09-01

Nanofluids, dispersions of metal or oxide nanoparticles in a base working fluid, are being intensively studied due to improvements they offer in thermal properties of the working fluid. However, these benefits have been erratically demonstrated and proven impacts on thermal conductivity are modest and well described from long-established effective medium theory. In this paper, we describe a new class of metal-organic heat carrier (MOHC) nanofluid that offers potential for a larger performance boost in thermal vapor-liquid compression cycles. MOHCs are nanophase porous coordination solids designed to reversibly uptake the working fluid molecules in which the MOHCs are suspended. Additional heatmore » can be extracted in a heat exchanger or solar collector from the endothermic enthalpy of desorption, which is then released as the nanofluid transits through a power generating device such as a turboexpander. Calculations for an R123 MOHC nanofluid indicated potential for up to 15% increase in power output. Capillary tube experiments show that liquid-vapor transitions occur without nanoparticle deposition on the tube walls provided entrance Reynolds number exceeds approximately 100.« less

Discontinuities-free complete-active-space state–specific multi–reference coupled cluster theory for describing bond stretching and dissociation

DOE PAGES

Zaporozhets, Irina A.; Ivanov, Vladimir V.; Lyakh, Dmitry I.; ...

2015-07-13

The earlier proposed multi-reference state-specific coupled-cluster theory with the complete active space reference suffered from a problem of energy discontinuities when the formal reference state was changing in the calculation of the potential energy curve (PEC). A simple remedy to the discontinuity problem is found and is presented in this work. It involves using natural complete active space self-consistent field active orbitals in the complete active space coupled-cluster calculations. As a result, the approach gives smooth PECs for different types of dissociation problems, as illustrated in the calculations of the dissociation of the single bond in the hydrogen fluorine moleculemore » and of the symmetric double-bond dissociation in the water molecule.« less

Charge transport in nanostructured materials: Implementation and verification of constrained density functional theory

DOE PAGES

Goldey, Matthew B.; Brawand, Nicholas P.; Voros, Marton; ...

2017-04-20

The in silico design of novel complex materials for energy conversion requires accurate, ab initio simulation of charge transport. In this work, we present an implementation of constrained density functional theory (CDFT) for the calculation of parameters for charge transport in the hopping regime. We verify our implementation against literature results for molecular systems, and we discuss the dependence of results on numerical parameters and the choice of localization potentials. In addition, we compare CDFT results with those of other commonly used methods for simulating charge transport between nanoscale building blocks. As a result, we show that some of thesemore » methods give unphysical results for thermally disordered configurations, while CDFT proves to be a viable and robust approach.« less

Vibrational spectroscopic investigation of p-, m- and o-nitrobenzonitrile by using Hartree-Fock and density functional theory

NASA Astrophysics Data System (ADS)

Sert, Y.; Ucun, F.

2013-08-01

In the present work, the theoretical vibrational spectra of p-, m- and o-nitrobenzonitrile molecules have been analyzed. The harmonic vibrational frequencies and geometric parameters (bond lengths and bond angles) of these molecules have been calculated using ab initio Hartree-Fock and density functional theory methods with 6-311++G(d,p) basis set by Gaussian 03 W, for the first time. Assignments of the vibrational frequencies have been performed by potential energy distribution by using VEDA 4 program. The optimized geometric parameters and harmonic vibrational frequencies have been compared with the corresponding experimental data and seen to be in a good agreement with each other. Also, the highest occupied molecular orbital and lowest unoccupied molecular orbital energies have been obtained.

Rough Set Theory based prognostication of life expectancy for terminally ill patients.

PubMed

Gil-Herrera, Eleazar; Yalcin, Ali; Tsalatsanis, Athanasios; Barnes, Laura E; Djulbegovic, Benjamin

2011-01-01

We present a novel knowledge discovery methodology that relies on Rough Set Theory to predict the life expectancy of terminally ill patients in an effort to improve the hospice referral process. Life expectancy prognostication is particularly valuable for terminally ill patients since it enables them and their families to initiate end-of-life discussions and choose the most desired management strategy for the remainder of their lives. We utilize retrospective data from 9105 patients to demonstrate the design and implementation details of a series of classifiers developed to identify potential hospice candidates. Preliminary results confirm the efficacy of the proposed methodology. We envision our work as a part of a comprehensive decision support system designed to assist terminally ill patients in making end-of-life care decisions.

Vapor-liquid equilibrium and equation of state of two-dimensional fluids from a discrete perturbation theory

NASA Astrophysics Data System (ADS)

Trejos, Víctor M.; Santos, Andrés; Gámez, Francisco

2018-05-01

The interest in the description of the properties of fluids of restricted dimensionality is growing for theoretical and practical reasons. In this work, we have firstly developed an analytical expression for the Helmholtz free energy of the two-dimensional square-well fluid in the Barker-Henderson framework. This equation of state is based on an approximate analytical radial distribution function for d-dimensional hard-sphere fluids (1 ≤ d ≤ 3) and is validated against existing and new simulation results. The so-obtained equation of state is implemented in a discrete perturbation theory able to account for general potential shapes. The prototypical Lennard-Jones and Yukawa fluids are tested in its two-dimensional version against available and new simulation data with semiquantitative agreement.

Strategies for Limiting Engineers' Potential Liability for Indoor Air Quality Problems.

PubMed

von Oppenfeld, Rolf R; Freeze, Mark E; Sabo, Sean M

1998-10-01

Engineers face indoor air quality (IAQ) issues at the design phase of building construction as well as during the investigation and mitigation of potential indoor air pollution problems during building operation. IAQ issues that can be identified are "building-related illnesses" that may include problems of volatile organic compounds (VOCs). IAQ issues that cannot be identified are termed "sick building syndrome." Frequently, microorganism-caused illnesses are difficult to confirm. Engineers who provide professional services that directly or indirectly impact IAQ face significant potential liability to clients and third parties when performing these duties. Potential theories supporting liability claims for IAQ problems against engineers include breach of contract and various common law tort theories such as negligence and negligent misrepresentation. Furthermore, an increasing number of federal, state, and local regulations affect IAQ issues and can directly increase the potential liability of engineers. A duty to disclose potential or actual air quality concerns to third parties may apply for engineers in given circumstances. Such a duty may arise from judicial precedent, the Model Guide for Professional Conduct for Engineers, or the Code of Ethics for Engineers. Practical strategies engineers can use to protect themselves from liability include regular training and continuing education in relevant regulatory, scientific, and case law developments; detailed documentation and recordkeeping practices; adequate insurance coverage; contractual indemnity clauses; contractual provisions limiting liability to the scope of work performed; and contractual provisions limiting the extent of liability for engineers' negligence. Furthermore, through the proper use of building materials and construction techniques, an engineer or other design professional can effectively limit the potential for IAQ liability.

Active suppression of distractors that match the contents of visual working memory.

PubMed

Sawaki, Risa; Luck, Steven J

2011-08-01

The biased competition theory proposes that items matching the contents of visual working memory will automatically have an advantage in the competition for attention. However, evidence for an automatic effect has been mixed, perhaps because the memory-driven attentional bias can be overcome by top-down suppression. To test this hypothesis, the Pd component of the event-related potential waveform was used as a marker of attentional suppression. While observers maintained a color in working memory, task-irrelevant probe arrays were presented that contained an item matching the color being held in memory. We found that the memory-matching probe elicited a Pd component, indicating that it was being actively suppressed. This result suggests that sensory inputs matching the information being held in visual working memory are automatically detected and generate an "attend-to-me" signal, but this signal can be overridden by an active suppression mechanism to prevent the actual capture of attention.

Current trends in nursing theories.

PubMed

Im, Eun-Ok; Chang, Sun Ju

2012-06-01

To explore current trends in nursing theories through an integrated literature review. The literature related to nursing theories during the past 10 years was searched through multiple databases and reviewed to determine themes reflecting current trends in nursing theories. The trends can be categorized into six themes: (a) foci on specifics; (b) coexistence of various types of theories; (c) close links to research; (d) international collaborative works; (e) integration to practice; and (f) selective evolution. We need to make our continuous efforts to link research and practice to theories, to identify specifics of our theories, to develop diverse types of theories, and to conduct international collaborative works. Our paper gives implications for future theoretical development in diverse clinical areas of nursing research and practice. © 2012 Sigma Theta Tau International.

The application of Signalling Theory to health-related trust problems: The example of herbal clinics in Ghana and Tanzania.

PubMed

Hampshire, Kate; Hamill, Heather; Mariwah, Simon; Mwanga, Joseph; Amoako-Sakyi, Daniel

2017-09-01

In contexts where healthcare regulation is weak and levels of uncertainty high, how do patients decide whom and what to trust? In this paper, we explore the potential for using Signalling Theory (ST, a form of Behavioural Game Theory) to investigate health-related trust problems under conditions of uncertainty, using the empirical example of 'herbal clinics' in Ghana and Tanzania. Qualitative, ethnographic fieldwork was conducted over an eight-month period (2015-2016) in eight herbal clinics in Ghana and ten in Tanzania, including semi-structured interviews with herbalists (N = 18) and patients (N = 68), plus detailed ethnographic observations and twenty additional key informant interviews. The data were used to explore four ST-derived predictions, relating to herbalists' strategic communication ('signalling') of their trustworthiness to patients, and patients' interpretation of those signals. Signalling Theory is shown to provide a useful analytical framework, allowing us to go beyond the primary trust problem addressed by other researchers - cataloguing observable indicators of trustworthiness - and providing tools for tackling the trickier secondary trust problem, where the trustworthiness of those indicators must be ascertained. Signalling Theory also enables a basis for comparative work between different empirical contexts that share the underlying condition of uncertainty. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Diffusion of Magnetized Binary Ionic Mixtures at Ultracold Plasma Conditions

NASA Astrophysics Data System (ADS)

Vidal, Keith R.; Baalrud, Scott D.

2017-10-01

Ultracold plasma experiments offer an accessible means to test transport theories for strongly coupled systems. Application of an external magnetic field might further increase their utility by inhibiting heating mechanisms of ions and electrons and increasing the temperature at which strong coupling effects are observed. We present results focused on developing and validating a transport theory to describe binary ionic mixtures across a wide range of coupling and magnetization strengths relevant to ultracold plasma experiments. The transport theory is an extension of the Effective Potential Theory (EPT), which has been shown to accurately model correlation effects at these conditions, to include magnetization. We focus on diffusion as it can be measured in ultracold plasma experiments. Using EPT within the framework of the Chapman-Enskog expansion, the parallel and perpendicular self and interdiffusion coefficients for binary ionic mixtures with varying mass ratios are calculated and are compared to molecular dynamics simulations. The theory is found to accurately extend Braginskii-like transport to stronger coupling, but to break down when the magnetization strength becomes large enough that the typical gyroradius is smaller than the interaction scale length. This material is based upon work supported by the Air Force Office of Scientific Research under Award Number FA9550-16-1-0221.

Direct measurement of a nonequilibrium system entropy using a feedback trap

NASA Astrophysics Data System (ADS)

Gavrilov, Momčilo; Bechhoefer, John

2017-08-01

Feedback traps are tools for trapping single charged objects in solution. They periodically measure an object's position and apply a feedback force to counteract Brownian motion. The feedback force can be calculated as a gradient of a potential function, effectively creating a "virtual potential." Its flexibility regarding the choice of form of the potential gives an opportunity to explore various fundamental questions in stochastic thermodynamics. Here, we review the theory behind feedback traps and apply it to measuring the average work required to erase a fraction of a bit of information. The results agree with predictions based on the nonequilibrium system entropy. With this example, we also show how a feedback trap can easily implement the complex erasure protocols required to reach ultimate thermodynamic limits.