Numerical implementation of multiple peeling theory and its application to spider web anchorages

PubMed Central

Brely, Lucas; Bosia, Federico; Pugno, Nicola M.

2015-01-01

Adhesion of spider web anchorages has been studied in recent years, including the specific functionalities achieved through different architectures. To better understand the delamination mechanisms of these and other biological or artificial fibrillar adhesives, and how their adhesion can be optimized, we develop a novel numerical model to simulate the multiple peeling of structures with arbitrary branching and adhesion angles, including complex architectures. The numerical model is based on a recently developed multiple peeling theory, which extends the energy-based single peeling theory of Kendall, and can be applied to arbitrarily complex structures. In particular, we numerically show that a multiple peeling problem can be treated as the superposition of single peeling configurations even for complex structures. Finally, we apply the developed numerical approach to study spider web anchorages, showing how their function is achieved through optimal geometrical configurations. PMID:25657835

Statistical theory of combinatorial libraries of folding proteins: energetic discrimination of a target structure.

PubMed

Zou, J; Saven, J G

2000-02-11

A self-consistent theory is presented that can be used to estimate the number and composition of sequences satisfying a predetermined set of constraints. The theory is formulated so as to examine the features of sequences having a particular value of Delta=E(f)-(u), where E(f) is the energy of sequences when in a target structure and (u) is an average energy of non-target structures. The theory yields the probabilities w(i)(alpha) that each position i in the sequence is occupied by a particular monomer type alpha. The theory is applied to a simple lattice model of proteins. Excellent agreement is observed between the theory and the results of exact enumerations. The theory provides a quantitative framework for the design and interpretation of combinatorial experiments involving proteins, where a library of amino acid sequences is searched for sequences that fold to a desired structure. Copyright 2000 Academic Press.

Slits, plates, and Poisson-Boltzmann theory in a local formulation of nonlocal electrostatics

NASA Astrophysics Data System (ADS)

Paillusson, Fabien; Blossey, Ralf

2010-11-01

Polar liquids like water carry a characteristic nanometric length scale, the correlation length of orientation polarizations. Continuum theories that can capture this feature commonly run under the name of “nonlocal” electrostatics since their dielectric response is characterized by a scale-dependent dielectric function ɛ(q) , where q is the wave vector; the Poisson(-Boltzmann) equation then turns into an integro-differential equation. Recently, “local” formulations have been put forward for these theories and applied to water, solvated ions, and proteins. We review the local formalism and show how it can be applied to a structured liquid in slit and plate geometries, and solve the Poisson-Boltzmann theory for a charged plate in a structured solvent with counterions. Our results establish a coherent picture of the local version of nonlocal electrostatics and show its ease of use when compared to the original formulation.

Research in Applied Mathematics Related to Mathematical System Theory.

DTIC Science & Technology

1977-06-01

This report deals with research results obtained in the field of mathematical system theory . Special emphasis was given to the following areas: (1...Linear system theory over a field: parametrization of multi-input, multi-output systems and the geometric structure of classes of systems of...constant dimension. (2) Linear systems over a ring: development of the theory for very general classes of rings. (3) Nonlinear system theory : basic

Proceedings of the Workshop on Identification and Control of Flexible Space Structures, Volume 3

NASA Technical Reports Server (NTRS)

Rodriguez, G. (Editor)

1985-01-01

The results of a workshop on identification and control of flexible space structures are reported. This volume deals mainly with control theory and methodologies as they apply to space stations and large antennas. Integration and dynamics and control experimental findings are reported. Among the areas of control theory discussed were feedback, optimization, and parameter identification.

Flight and analytical investigations of a structural mode excitation system on the YF-12A airplane

NASA Technical Reports Server (NTRS)

Goforth, E. A.; Murphy, R. C.; Beranek, J. A.; Davis, R. A.

1987-01-01

A structural excitation system, using an oscillating canard vane to generate force, was mounted on the forebody of the YF-12A airplane. The canard vane was used to excite the airframe structural modes during flight in the subsonic, transonic, and supersonic regimes. Structural modal responses generated by the canard vane forces were measured at the flight test conditions by airframe-mounted accelerometers. Correlations of analytical and experimental aeroelastic results were made. Doublet lattice, steady state double lattice with uniform lag, Mach box, and piston theory all produced acceptable analytical aerodynamic results within the restrictions that apply to each. In general, the aerodynamic theory methods, carefully applied, were found to predict the dynamic behavior of the YF-12A aircraft adequately.

Finsler geometry of nonlinear elastic solids with internal structure

NASA Astrophysics Data System (ADS)

Clayton, J. D.

2017-02-01

Concepts from Finsler differential geometry are applied towards a theory of deformable continua with internal structure. The general theory accounts for finite deformation, nonlinear elasticity, and various kinds of structural features in a solid body. The general kinematic structure of the theory includes macroscopic and microscopic displacement fields-i.e., a multiscale representation-whereby the latter are represented mathematically by the director vector of pseudo-Finsler space, not necessarily of unit magnitude. A physically appropriate fundamental (metric) tensor is introduced, leading to affine and nonlinear connections. A deformation gradient tensor is defined via differentiation of the macroscopic motion field, and another metric indicative of strain in the body is a function of this gradient. A total energy functional of strain, referential microscopic coordinates, and horizontal covariant derivatives of the latter is introduced. Variational methods are applied to derive Euler-Lagrange equations and Neumann boundary conditions. The theory is shown to encompass existing continuum physics models such as micromorphic, micropolar, strain gradient, phase field, and conventional nonlinear elasticity models, and it can reduce to such models when certain assumptions on geometry, kinematics, and energy functionals are imposed. The theory is applied to analyze two physical problems in crystalline solids: shear localization/fracture in a two-dimensional body and cavitation in a spherical body. In these examples, a conformal or Weyl-type transformation of the fundamental tensor enables a description of dilatation associated, respectively, with cleavage surface roughness and nucleation of voids or vacancies. For the shear localization problem, the Finsler theory is able to accurately reproduce the surface energy of Griffith's fracture mechanics, and it predicts dilatation-induced toughening as observed in experiments on brittle crystals. For the cavitation problem, the Finsler theory is able to accurately reproduce the vacancy formation energy at a nanoscale resolution, and various solutions describe localized cavitation at the core of the body and/or distributed dilatation and softening associated with amorphization as observed in atomic simulations, with relative stability of solutions depending on the regularization length.

Layered synthetic microstructures as Bragg diffractors for X rays and extreme ultraviolet - Theory and predicted performance

NASA Technical Reports Server (NTRS)

Underwood, J. H.; Barbee, T. W., Jr.

1981-01-01

The theory of X-ray diffraction by periodic structures is applied to the layered synthetic microstructures (LSMs) made possible by recent developments in thin film technology, and approximate formulas for estimating their performance are presented. A more complete computation scheme based on optical multilayer theory is also described, and it is shown that the diffracting properties may be tailored to specific applications by adjusting the refractive indices and thicknesses of the component layers. The theory may be modified to take account of imperfections in the LMS structure, and the properties of nonperiodic structures thereby computed. Structures with high integrated reflectivity constructed according to the methods defined have potential application in many areas of X-ray or EUV research and instrumentation.

Catastrophe modelling in the biological sciences.

PubMed

Deakin, M A

1990-03-01

Catastrophe Theory was developed in an attempt to provide a form of Mathematics particularly apt for applications in the biological sciences. It was claimed that while it could be applied in the more conventional "physical" way, it could also be applied in a new "metaphysical" way, derived from the Structuralism of Saussure in Linguistics and Lévi-Strauss in Anthropology. Since those early beginnings there have been many attempts to apply Catastrophe Theory to Biology, but these hopes cannot be said to have been fully realised. This paper will document and classify the work that has been done. It will be argued that, like other applied Mathematics, applied Catastrophe Theory works best where the underlying laws are securely known and precisely quantified, requiring those same guarantees as does any other branch of Mathematics when it confronts a real-life situation.

Understanding PGM-free Catalysts by Linking Density Functional Theory Calculations and Structural Analysis: Perspectives and Challenges

DOE PAGES

Gonzales, Ivana; Artyushkova, Kateryna; Atanassov, Plamen

2018-03-13

Here, we discuss perspectives and challenges in applying density functional theory for the calculation of spectroscopic properties of platinum group metal (PGM)-free electrocatalysts for oxygen reduction. More specifically, we discuss recent advances in the density functional theory calculations of core-level shifts in binding energies of N 1s electrons as measured by X-ray photoelectron spectroscopy. The link between the density functional theory calculations, the electrocatalytic performance of the catalysts, and structural analysis using modern spectroscopic techniques is expected to significantly increase our understanding of PGM-free catalysts at the molecular level.

Understanding PGM-free Catalysts by Linking Density Functional Theory Calculations and Structural Analysis: Perspectives and Challenges

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

Gonzales, Ivana; Artyushkova, Kateryna; Atanassov, Plamen

Here, we discuss perspectives and challenges in applying density functional theory for the calculation of spectroscopic properties of platinum group metal (PGM)-free electrocatalysts for oxygen reduction. More specifically, we discuss recent advances in the density functional theory calculations of core-level shifts in binding energies of N 1s electrons as measured by X-ray photoelectron spectroscopy. The link between the density functional theory calculations, the electrocatalytic performance of the catalysts, and structural analysis using modern spectroscopic techniques is expected to significantly increase our understanding of PGM-free catalysts at the molecular level.

Relativistic theory of tidal Love numbers

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

Binnington, Taylor; Poisson, Eric

In Newtonian gravitational theory, a tidal Love number relates the mass multipole moment created by tidal forces on a spherical body to the applied tidal field. The Love number is dimensionless, and it encodes information about the body's internal structure. We present a relativistic theory of Love numbers, which applies to compact bodies with strong internal gravities; the theory extends and completes a recent work by Flanagan and Hinderer, which revealed that the tidal Love number of a neutron star can be measured by Earth-based gravitational-wave detectors. We consider a spherical body deformed by an external tidal field, and providemore » precise and meaningful definitions for electric-type and magnetic-type Love numbers; and these are computed for polytropic equations of state. The theory applies to black holes as well, and we find that the relativistic Love numbers of a nonrotating black hole are all zero.« less

Gendering Coercive Control.

PubMed

Anderson, Kristin L

2009-12-01

This article examines the theory of gender presented in Stark's Coercive Control: How Men Entrap Women in Personal Life. Stark suggests that gender is a form of structural inequality that makes women more vulnerable than men to the strategies of coercive control. However, Stark assumes rather than demonstrates that gendered structural inequality increases women's vulnerability. In this article, the author applies the multilevel theory of gender as identity, interaction, and social structure to document the multiple ways coercive control is gendered. The author argues that, to understand the gender dynamics of coercive control, researchers must examine the interactions across levels of gender. The author concludes with an assessment of the prospects and pitfalls of applying the concept of coercive control to renew the feminist social movement to end domestic violence.

Integral equation and thermodynamic perturbation theory for a two-dimensional model of dimerising fluid

PubMed Central

Urbic, Tomaz

2016-01-01

In this paper we applied an analytical theory for the two dimensional dimerising fluid. We applied Wertheims thermodynamic perturbation theory (TPT) and integral equation theory (IET) for associative liquids to the dimerising model with arbitrary position of dimerising points from center of the particles. The theory was used to study thermodynamical and structural properties. To check the accuracy of the theories we compared theoretical results with corresponding results obtained by Monte Carlo computer simulations. The theories are accurate for the different positions of patches of the model at all values of the temperature and density studied. IET correctly predicts the pair correlation function of the model. Both TPT and IET are in good agreement with the Monte Carlo values of the energy, pressure, chemical potential, compressibility and ratios of free and bonded particles. PMID:28529396

A Structural Equation Modeling Investigation of the Theory of Planned Behavior Applied to Accounting Professors' Enforcement of Cheating Rules

ERIC Educational Resources Information Center

Brigham, Stephen Scott

2010-01-01

This dissertation concerns factors that influence accounting professors' formal enforcement of academic misconduct rules using the theory of planned behavior ("TPB") as a theoretical framework. The theory posits that intentional behavior, such as enforcement, can be predicted by peoples' perceived behavioral control and…

Educational Interpretations of General Systems Theory.

ERIC Educational Resources Information Center

Hug, William E.; King, James E.

This chapter discusses General Systems Theory as it applies to education, classrooms, innovations, and instructional design. The principles of equifinality, open and closed systems, the individual as the key system, hierarchical structures, optimization, stability, cooperation, and competition are discussed, and their relationship to instructional…

Fuzzy Modal Control Applied to Smart Composite Structure

NASA Astrophysics Data System (ADS)

Koroishi, E. H.; Faria, A. W.; Lara-Molina, F. A.; Steffen, V., Jr.

2015-07-01

This paper proposes an active vibration control technique, which is based on Fuzzy Modal Control, as applied to a piezoelectric actuator bonded to a composite structure forming a so-called smart composite structure. Fuzzy Modal Controllers were found to be well adapted for controlling structures with nonlinear behavior, whose characteristics change considerably with respect to time. The smart composite structure was modelled by using a so called mixed theory. This theory uses a single equivalent layer for the discretization of the mechanical displacement field and a layerwise representation of the electrical field. Temperature effects are neglected. Due to numerical reasons it was necessary to reduce the size of the model of the smart composite structure so that the design of the controllers and the estimator could be performed. The role of the Kalman Estimator in the present contribution is to estimate the modal states of the system, which are used by the Fuzzy Modal controllers. Simulation results illustrate the effectiveness of the proposed vibration control methodology for composite structures.

Modeling micelle formation and interfacial properties with iSAFT classical density functional theory

NASA Astrophysics Data System (ADS)

Wang, Le; Haghmoradi, Amin; Liu, Jinlu; Xi, Shun; Hirasaki, George J.; Miller, Clarence A.; Chapman, Walter G.

2017-03-01

Surfactants reduce the interfacial tension between phases, making them an important additive in a number of industrial and commercial applications from enhanced oil recovery to personal care products (e.g., shampoo and detergents). To help obtain a better understanding of the dependence of surfactant properties on molecular structure, a classical density functional theory, also known as interfacial statistical associating fluid theory, has been applied to study the effects of surfactant architecture on micelle formation and interfacial properties for model nonionic surfactant/water/oil systems. In this approach, hydrogen bonding is explicitly included. To minimize the free energy, the system minimizes interactions between hydrophobic components and hydrophilic components with water molecules hydrating the surfactant head group. The theory predicts micellar structure, effects of surfactant architecture on critical micelle concentration, aggregation number, and interfacial tension isotherm of surfactant/water systems in qualitative agreement with experimental data. Furthermore, this model is applied to study swollen micelles and reverse swollen micelles that are necessary to understand the formation of a middle-phase microemulsion.

Superselection Structure of Massive Quantum Field Theories in 1+1 Dimensions

NASA Astrophysics Data System (ADS)

Müger, Michael

We show that a large class of massive quantum field theories in 1+1 dimensions, characterized by Haag duality and the split property for wedges, does not admit locally generated superselection sectors in the sense of Doplicher, Haag and Roberts. Thereby the extension of DHR theory to 1+1 dimensions due to Fredenhagen, Rehren and Schroer is vacuous for such theories. Even charged representations which are localizable only in wedge regions are ruled out. Furthermore, Haag duality holds in all locally normal representations. These results are applied to the theory of soliton sectors. Furthermore, the extension of localized representations of a non-Haag dual net to the dual net is reconsidered. It must be emphasized that these statements do not apply to massless theories since they do not satisfy the above split property. In particular, it is known that positive energy representations of conformally invariant theories are DHR representations.

Roles of water in protein structure and function studied by molecular liquid theory.

PubMed

Imai, Takashi

2009-01-01

The roles of water in the structure and function of proteins have not been completely elucidated. Although molecular simulation has been widely used for the investigation of protein structure and function, it is not always useful for elucidating the roles of water because the effect of water ranges from atomic to thermodynamic level. The three-dimensional reference interaction site model (3D-RISM) theory, which is a statistical-mechanical theory of molecular liquids, can yield the solvation structure at the atomic level and calculate the thermodynamic quantities from the intermolecular potentials. In the last few years, the author and coworkers have succeeded in applying the 3D-RISM theory to protein aqueous solution systems and demonstrated that the theory is useful for investigating the roles of water. This article reviews some of the recent applications and findings, which are concerned with molecular recognition by protein, protein folding, and the partial molar volume of protein which is related to the pressure effect on protein.

New perspectives on the ecology of tree structure and tree communities through terrestrial laser scanning.

PubMed

Malhi, Yadvinder; Jackson, Tobias; Patrick Bentley, Lisa; Lau, Alvaro; Shenkin, Alexander; Herold, Martin; Calders, Kim; Bartholomeus, Harm; Disney, Mathias I

2018-04-06

Terrestrial laser scanning (TLS) opens up the possibility of describing the three-dimensional structures of trees in natural environments with unprecedented detail and accuracy. It is already being extensively applied to describe how ecosystem biomass and structure vary between sites, but can also facilitate major advances in developing and testing mechanistic theories of tree form and forest structure, thereby enabling us to understand why trees and forests have the biomass and three-dimensional structure they do. Here we focus on the ecological challenges and benefits of understanding tree form, and highlight some advances related to capturing and describing tree shape that are becoming possible with the advent of TLS. We present examples of ongoing work that applies, or could potentially apply, new TLS measurements to better understand the constraints on optimization of tree form. Theories of resource distribution networks, such as metabolic scaling theory, can be tested and further refined. TLS can also provide new approaches to the scaling of woody surface area and crown area, and thereby better quantify the metabolism of trees. Finally, we demonstrate how we can develop a more mechanistic understanding of the effects of avoidance of wind risk on tree form and maximum size. Over the next few years, TLS promises to deliver both major empirical and conceptual advances in the quantitative understanding of trees and tree-dominated ecosystems, leading to advances in understanding the ecology of why trees and ecosystems look and grow the way they do.

On the Relationship between Bonding Theory and Youth Gang Resistance in U.S. 8th Graders: Competing Structural Equation Models with Latent Structure Indirect Effects

ERIC Educational Resources Information Center

Vander Horst, Anthony

2012-01-01

In a study of 5285 8th graders from the Gang Resistance and Education Training (G.R.E.A.T.) research, this study applied Travis Hirschi's social bonding theory to examine the curriculum's efficacy in increasing conventional bonding (friends with positive peers, succeeding at education etc.) and decreasing non-conventional bonding (drug…

Methanol clusters (CH3OH)n, n = 3-6 in external electric fields: density functional theory approach.

PubMed

Rai, Dhurba; Kulkarni, Anant D; Gejji, Shridhar P; Pathak, Rajeev K

2011-07-14

Structural evolution of cyclic and branched-cyclic methanol clusters containing three to six molecules, under the influence of externally applied uniform static electric field is studied within the density functional theory. Akin to the situation for water clusters, the electric field is seen to stretch the intermolecular hydrogen bonds, and eventually break the H-bonded network at certain characteristic threshold field values of field strength in the range 0.009-0.016 a.u., yielding linear or branched structures with a lower energy. These structural transitions are characterized by an abrupt increase in the electric dipole moment riding over its otherwise steady nonlinear increase with the applied field. The field tends to rupture the H-bonded structure; consequently, the number of hydrogen bonds decreases with increasing field strength. Vibrational spectra analyzed for fields applied perpendicular to the cyclic ring structures bring out the shifts in the OH ring vibrations (blueshift) and the CO stretch vibrations (redshift). For a given field strength, the blueshifts increase with the number of molecules in the ring and are found to be generally larger than those in the corresponding water cluster counterparts.

Strain, Attribution, and Traffic Delinquency among Young Drivers: Measuring and Testing General Strain Theory in the Context of Driving

ERIC Educational Resources Information Center

Ellwanger, Steven J.

2007-01-01

This article enhances our knowledge of general strain theory (GST) by applying it to the context of traffic delinquency. It does so by first describing and confirming the development of a social-psychological measure allowing for a test of GST. Structural regression analysis is subsequently employed to test the theory within this context across a…

Teaching organization theory for healthcare management: three applied learning methods.

PubMed

Olden, Peter C

2006-01-01

Organization theory (OT) provides a way of seeing, describing, analyzing, understanding, and improving organizations based on patterns of organizational design and behavior (Daft 2004). It gives managers models, principles, and methods with which to diagnose and fix organization structure, design, and process problems. Health care organizations (HCOs) face serious problems such as fatal medical errors, harmful treatment delays, misuse of scarce nurses, costly inefficiency, and service failures. Some of health care managers' most critical work involves designing and structuring their organizations so their missions, visions, and goals can be achieved-and in some cases so their organizations can survive. Thus, it is imperative that graduate healthcare management programs develop effective approaches for teaching OT to students who will manage HCOs. Guided by principles of education, three applied teaching/learning activities/assignments were created to teach OT in a graduate healthcare management program. These educationalmethods develop students' competency with OT applied to HCOs. The teaching techniques in this article may be useful to faculty teaching graduate courses in organization theory and related subjects such as leadership, quality, and operation management.

Images of Schools: Structures and Roles in Organizational Behavior.

ERIC Educational Resources Information Center

Bacharach, Samuel B., Ed.; Mundell, Bryan, Ed.

This book brings together different analytical perspectives from organizational theory and applies them to examinations of schools. The editors maintain that the current debate over school restructuring is essentially a debate over which strategy of organizing will achieve the best results. Organizational theory suggests that there are two primary…

A classification of ecological boundaries

USGS Publications Warehouse

Strayer, D.L.; Power, M.E.; Fagan, W.F.; Pickett, S.T.A.; Belnap, J.

2003-01-01

Ecologists use the term boundary to refer to a wide range of real and conceptual structures. Because imprecise terminology may impede the search for general patterns and theories about ecological boundaries, we present a classification of the attributes of ecological boundaries to aid in communication and theory development. Ecological boundaries may differ in their origin and maintenance, their spatial structure, their function, and their temporal dynamics. A classification system based on these attributes should help ecologists determine whether boundaries are truly comparable. This system can be applied when comparing empirical studies, comparing theories, and testing theoretical predictions against empirical results.

Ion transport and softening in a polymerized ionic liquid

DOE PAGES

Kumar, Rajeev; Bocharova, Vera; Strelcov, Evgheni; ...

2014-11-13

Polymerized ionic liquids (PolyILs) are promising materials for various solid state electronic applications such as dye-sensitized solar cells, lithium batteries, actuators, field-effect transistors, light emitting electrochemical cells, and electrochromic devices. However, fundamental understanding of interconnection between ionic transport and mechanical properties in PolyILs is far from complete. In this paper, local charge transport and structural changes in films of a PolyIL are studied using an integrated experiment-theory based approach. Experimental data for the kinetics of charging and steady state current–voltage relations can be explained by taking into account the dissociation of ions under an applied electric field (known as themore » Wien effect). Onsager's theory of the Wien effect coupled with the Poisson–Nernst–Planck formalism for the charge transport is found to be in excellent agreement with the experimental results. The agreement between the theory and experiments allows us to predict structural properties of the PolyIL films. We have observed significant softening of the PolyIL films beyond certain threshold voltages and formation of holes under a scanning probe microscopy (SPM) tip, through which an electric field was applied. Finally, the observed softening is explained by the theory of depression in glass transition temperature resulting from enhanced dissociation of ions with an increase in applied electric field.« less

Conductive shield for ultra-low-field magnetic resonance imaging: Theory and measurements of eddy currents.

PubMed

Zevenhoven, Koos C J; Busch, Sarah; Hatridge, Michael; Oisjöen, Fredrik; Ilmoniemi, Risto J; Clarke, John

2014-03-14

Eddy currents induced by applied magnetic-field pulses have been a common issue in ultra-low-field magnetic resonance imaging. In particular, a relatively large prepolarizing field-applied before each signal acquisition sequence to increase the signal-induces currents in the walls of the surrounding conductive shielded room. The magnetic-field transient generated by the eddy currents may cause severe image distortions and signal loss, especially with the large prepolarizing coils designed for in vivo imaging. We derive a theory of eddy currents in thin conducting structures and enclosures to provide intuitive understanding and efficient computations. We present detailed measurements of the eddy-current patterns and their time evolution in a previous-generation shielded room. The analysis led to the design and construction of a new shielded room with symmetrically placed 1.6-mm-thick aluminum sheets that were weakly coupled electrically. The currents flowing around the entire room were heavily damped, resulting in a decay time constant of about 6 ms for both the measured and computed field transients. The measured eddy-current vector maps were in excellent agreement with predictions based on the theory, suggesting that both the experimental methods and the theory were successful and could be applied to a wide variety of thin conducting structures.

Conductive shield for ultra-low-field magnetic resonance imaging: Theory and measurements of eddy currents

PubMed Central

Zevenhoven, Koos C. J.; Busch, Sarah; Hatridge, Michael; Öisjöen, Fredrik; Ilmoniemi, Risto J.; Clarke, John

2014-01-01

Eddy currents induced by applied magnetic-field pulses have been a common issue in ultra-low-field magnetic resonance imaging. In particular, a relatively large prepolarizing field—applied before each signal acquisition sequence to increase the signal—induces currents in the walls of the surrounding conductive shielded room. The magnetic-field transient generated by the eddy currents may cause severe image distortions and signal loss, especially with the large prepolarizing coils designed for in vivo imaging. We derive a theory of eddy currents in thin conducting structures and enclosures to provide intuitive understanding and efficient computations. We present detailed measurements of the eddy-current patterns and their time evolution in a previous-generation shielded room. The analysis led to the design and construction of a new shielded room with symmetrically placed 1.6-mm-thick aluminum sheets that were weakly coupled electrically. The currents flowing around the entire room were heavily damped, resulting in a decay time constant of about 6 ms for both the measured and computed field transients. The measured eddy-current vector maps were in excellent agreement with predictions based on the theory, suggesting that both the experimental methods and the theory were successful and could be applied to a wide variety of thin conducting structures. PMID:24753629

Towards graphical causal structures

NASA Astrophysics Data System (ADS)

Paulsson, K. Johan

2012-12-01

Folowing recent work by R. Spekkens, M. Leifer and B. Coecke we investigate causal settings in a limited categorical version of the conditional density operator formalism. We particularly show how the compact structure for causal and acausal settings apply on the measurements of stabiliser theory.

The Theory of Planned Behavior (TPB) and Pre-Service Teachers' Technology Acceptance: A Validation Study Using Structural Equation Modeling

ERIC Educational Resources Information Center

Teo, Timothy; Tan, Lynde

2012-01-01

This study applies the theory of planned behavior (TPB), a theory that is commonly used in commercial settings, to the educational context to explain pre-service teachers' technology acceptance. It is also interested in examining its validity when used for this purpose. It has found evidence that the TPB is a valid model to explain pre-service…

ECOSYSTEM SUSTAINABILITY INDEX FROM INFORMATON THEORY

EPA Science Inventory

The concept of sustainability applies to integrated systems comprising humans and nature. The structures and operation of the human component must be such that these reinforce or promote the persistence of the structures and operation of the natural component. Thus, one of the ch...

Theoretical Problems in Materials Science

NASA Technical Reports Server (NTRS)

Langer, J. S.; Glicksman, M. E.

1985-01-01

Interactions between theoretical physics and material sciences to identify problems of common interest in which some of the powerful theoretical approaches developed for other branches of physics may be applied to problems in materials science are presented. A unique structure was identified in rapidly quenched Al-14% Mn. The material has long-range directed bonds with icosahedral symmetry which does not form a regular structure but instead forms an amorphous-like quasiperiodic structure. Finite volume fractions of second phase material is advanced and is coupled with nucleation theory to describe the formation and structure of precipitating phases in alloys. Application of the theory of pattern formation to the problem of dendrite formation is studied.

Statistical theory for protein combinatorial libraries. Packing interactions, backbone flexibility, and the sequence variability of a main-chain structure.

PubMed

Kono, H; Saven, J G

2001-02-23

Combinatorial experiments provide new ways to probe the determinants of protein folding and to identify novel folding amino acid sequences. These types of experiments, however, are complicated both by enormous conformational complexity and by large numbers of possible sequences. Therefore, a quantitative computational theory would be helpful in designing and interpreting these types of experiment. Here, we present and apply a statistically based, computational approach for identifying the properties of sequences compatible with a given main-chain structure. Protein side-chain conformations are included in an atom-based fashion. Calculations are performed for a variety of similar backbone structures to identify sequence properties that are robust with respect to minor changes in main-chain structure. Rather than specific sequences, the method yields the likelihood of each of the amino acids at preselected positions in a given protein structure. The theory may be used to quantify the characteristics of sequence space for a chosen structure without explicitly tabulating sequences. To account for hydrophobic effects, we introduce an environmental energy that it is consistent with other simple hydrophobicity scales and show that it is effective for side-chain modeling. We apply the method to calculate the identity probabilities of selected positions of the immunoglobulin light chain-binding domain of protein L, for which many variant folding sequences are available. The calculations compare favorably with the experimentally observed identity probabilities.

The interplay of structure and agency in health promotion: integrating a concept of structural change and the policy dimension into a multi-level model and applying it to health promotion principles and practice.

PubMed

Rütten, Alfred; Gelius, Peter

2011-10-01

The recent debate in public health about the "inequality paradox" mirrors a long-standing dispute between proponents of structuralist approaches and advocates of action theory. Both views are genuine perspectives of health promotion, but so far they have not been adequately linked by health promotion theory. Using Anthony Giddens's concepts of structure and agency seems promising, but his theory has a number of shortcomings that need to be amended if it is to be applied successfully to health promotion. After briefly assessing Giddens's theory of structuration, this paper proposes to add to it both the concept of structural change as proposed by William Sewell and the policy dimension as described by Elinor Ostrom in her distinction between "operational" and "collective choice" level. On this basis, a multi-level model of the interaction of structure and agency in health promotion is proposed. This model is then connected to central claims of the Ottawa Charter, i.e. "build healthy public policy", "create supportive environments", "strengthen community actions", and "develop personal skills". A case study from a local-level health promotion project in Germany is used to illustrate the explanatory power of the model, showing how interaction between structure and agency on the operational and on the collective choice level led to the establishment of women-only hours at the municipal indoor swimming pool as well as to increased physical activity levels and improved general self-efficacy among members of the target group. Copyright © 2011 Elsevier Ltd. All rights reserved.

MOTIVATION INTERNALIZATION AND SIMPLEX STRUCTURE IN SELF-DETERMINATION THEORY.

PubMed

Ünlü, Ali; Dettweiler, Ulrich

2015-12-01

Self-determination theory, as proposed by Deci and Ryan, postulated different types of motivation regulation. As to the introjected and identified regulation of extrinsic motivation, their internalizations were described as "somewhat external" and "somewhat internal" and remained undetermined in the theory. This paper introduces a constrained regression analysis that allows these vaguely expressed motivations to be estimated in an "optimal" manner, in any given empirical context. The approach was even generalized and applied for simplex structure analysis in self-determination theory. The technique was exemplified with an empirical study comparing science teaching in a classical school class versus an expeditionary outdoor program. Based on a sample of 84 German pupils (43 girls, 41 boys, 10 to 12 years old), data were collected using the German version of the Academic Self-Regulation Questionnaire. The science-teaching format was seen to not influence the pupils' internalization of identified regulation. The internalization of introjected regulation differed and shifted more toward the external pole in the outdoor teaching format. The quantification approach supported the simplex structure of self-determination theory, whereas correlations may disconfirm the simplex structure.

Rough Evaluation Structure: Application of Rough Set Theory to Generate Simple Rules for Inconsistent Preference Relation

NASA Astrophysics Data System (ADS)

Gehrmann, Andreas; Nagai, Yoshimitsu; Yoshida, Osamu; Ishizu, Syohei

Since management decision-making becomes complex and preferences of the decision-maker frequently becomes inconsistent, multi-attribute decision-making problems were studied. To represent inconsistent preference relation, the concept of evaluation structure was introduced. We can generate simple rules to represent inconsistent preference relation by the evaluation structures. Further rough set theory for the preference relation was studied and the concept of approximation was introduced. One of our main aims of this paper is to introduce a concept of rough evaluation structure for representing inconsistent preference relation. We apply rough set theory to the evaluation structure, and develop a method for generating simple rules for inconsistent preference relations. In this paper, we introduce concepts of totally ordered information system, similarity class of preference relation, upper and lower approximation of preference relations. We also show the properties of rough evaluation structure and provide a simple example. As an application of rough evaluation structure, we analyze questionnaire survey of customer preferences about audio players.

The application of contraction theory to an iterative formulation of electromagnetic scattering

NASA Technical Reports Server (NTRS)

Brand, J. C.; Kauffman, J. F.

1985-01-01

Contraction theory is applied to an iterative formulation of electromagnetic scattering from periodic structures and a computational method for insuring convergence is developed. A short history of spectral (or k-space) formulation is presented with an emphasis on application to periodic surfaces. To insure a convergent solution of the iterative equation, a process called the contraction corrector method is developed. Convergence properties of previously presented iterative solutions to one-dimensional problems are examined utilizing contraction theory and the general conditions for achieving a convergent solution are explored. The contraction corrector method is then applied to several scattering problems including an infinite grating of thin wires with the solution data compared to previous works.

The Harmony of Physics, Mathematics, and Music: A discovery in mathematical music theory is found to apply in physics

NASA Astrophysics Data System (ADS)

Krantz, Richard; Douthett, Jack

2009-05-01

Although it is common practice to borrow tools from mathematics to apply to physics or music, it is unusual to use tools developed in music theory to mathematically describe physical phenomena. So called ``Maximally Even Set'' theory fits this unusual case. In this poster, we summarize, by example, the theory of Maximally Even (ME) sets and show how this formalism leads to the distribution of black and white keys on the piano keyboard. We then show how ME sets lead to a generalization of the well-known ``Cycle-of-Fifths'' in music theory. Subsequently, we describe ordering in one-dimensional spin-1/2 anti-ferromagnets using ME sets showing that this description leads to a fractal ``Devil's Staircase'' magnetic phase diagram. Finally, we examine an extension of ME sets, ``Iterated Maximally Even Sets'' that describes chord structure in music.

The Harmony of Physics, Mathematics, and Music: A discovery in mathematical music theory is found to apply in physics

NASA Astrophysics Data System (ADS)

Krantz, Richard; Douthett, Jack

2009-10-01

Although it is common practice to borrow tools from mathematics to apply to physics or music, it is unusual to use tools developed in music theory to mathematically describe physical phenomena. So called ``Maximally Even Set'' theory fits this unusual case. In this poster, we summarize, by example, the theory of Maximally Even (ME) sets and show how this formalism leads to the distribution of black and white keys on the piano keyboard. We then show how ME sets lead to a generalization of the well-known ``Cycle-of-Fifths'' in music theory. Subsequently, we describe ordering in one-dimensional spin-1/2 anti-ferromagnets using ME sets showing that this description leads to a fractal ``Devil's Staircase'' magnetic phase diagram. Finally, we examine an extension of ME sets, ``Iterated Maximally Even'' sets that describes chord structure in music.

Keeping patients safe in healthcare organizations: a structuration theory of safety culture.

PubMed

Groves, Patricia S; Meisenbach, Rebecca J; Scott-Cawiezell, Jill

2011-08-01

This paper presents a discussion of the use of structuration theory to facilitate understanding and improvement of safety culture in healthcare organizations. Patient safety in healthcare organizations is an important problem worldwide. Safety culture has been proposed as a means to keep patients safe. However, lack of appropriate theory limits understanding and improvement of safety culture. The proposed structuration theory of safety culture was based on a critique of available English-language literature, resulting in literature published from 1983 to mid-2009. CINAHL, Communication and Mass Media Complete, ABI/Inform and Google Scholar databases were searched using the following terms: nursing, safety, organizational culture and safety culture. When viewed through the lens of structuration theory, safety culture is a system involving both individual actions and organizational structures. Healthcare organization members, particularly nurses, share these values through communication and enact them in practice, (re)producing an organizational safety culture system that reciprocally constrains and enables the actions of the members in terms of patient safety. This structurational viewpoint illuminates multiple opportunities for safety culture improvement. Nurse leaders should be cognizant of competing value-based culture systems in the organization and attend to nursing agency and all forms of communication when attempting to create or strengthen a safety culture. Applying structuration theory to the concept of safety culture reveals a dynamic system of individual action and organizational structure constraining and enabling safety practice. Nurses are central to the (re)production of this safety culture system. © 2011 Blackwell Publishing Ltd.

Graph theory data for topological quantum chemistry.

PubMed

Vergniory, M G; Elcoro, L; Wang, Zhijun; Cano, Jennifer; Felser, C; Aroyo, M I; Bernevig, B Andrei; Bradlyn, Barry

2017-08-01

Topological phases of noninteracting particles are distinguished by the global properties of their band structure and eigenfunctions in momentum space. On the other hand, group theory as conventionally applied to solid-state physics focuses only on properties that are local (at high-symmetry points, lines, and planes) in the Brillouin zone. To bridge this gap, we have previously [Bradlyn et al., Nature (London) 547, 298 (2017)NATUAS0028-083610.1038/nature23268] mapped the problem of constructing global band structures out of local data to a graph construction problem. In this paper, we provide the explicit data and formulate the necessary algorithms to produce all topologically distinct graphs. Furthermore, we show how to apply these algorithms to certain "elementary" band structures highlighted in the aforementioned reference, and thus we identified and tabulated all orbital types and lattices that can give rise to topologically disconnected band structures. Finally, we show how to use the newly developed bandrep program on the Bilbao Crystallographic Server to access the results of our computation.

Folklore: A Foundation for Literary Study.

ERIC Educational Resources Information Center

Galda, S. L.; Pellegrini, A. D.

1981-01-01

Discusses folklore as the basis for literary study. Discusses two major theoretical positions on folklore universals--behaviorism and structuralism--and applies the two theories to literary analysis. (FL)

HBNG: Graph theory based visualization of hydrogen bond networks in protein structures.

PubMed

Tiwari, Abhishek; Tiwari, Vivek

2007-07-09

HBNG is a graph theory based tool for visualization of hydrogen bond network in 2D. Digraphs generated by HBNG facilitate visualization of cooperativity and anticooperativity chains and rings in protein structures. HBNG takes hydrogen bonds list files (output from HBAT, HBEXPLORE, HBPLUS and STRIDE) as input and generates a DOT language script and constructs digraphs using freeware AT and T Graphviz tool. HBNG is useful in the enumeration of favorable topologies of hydrogen bond networks in protein structures and determining the effect of cooperativity and anticooperativity on protein stability and folding. HBNG can be applied to protein structure comparison and in the identification of secondary structural regions in protein structures. Program is available from the authors for non-commercial purposes.

Reliability analysis applied to structural tests

NASA Technical Reports Server (NTRS)

Diamond, P.; Payne, A. O.

1972-01-01

The application of reliability theory to predict, from structural fatigue test data, the risk of failure of a structure under service conditions because its load-carrying capability is progressively reduced by the extension of a fatigue crack, is considered. The procedure is applicable to both safe-life and fail-safe structures and, for a prescribed safety level, it will enable an inspection procedure to be planned or, if inspection is not feasible, it will evaluate the life to replacement. The theory has been further developed to cope with the case of structures with initial cracks, such as can occur in modern high-strength materials which are susceptible to the formation of small flaws during the production process. The method has been applied to a structure of high-strength steel and the results are compared with those obtained by the current life estimation procedures. This has shown that the conventional methods can be unconservative in certain cases, depending on the characteristics of the structure and the design operating conditions. The suitability of the probabilistic approach to the interpretation of the results from full-scale fatigue testing of aircraft structures is discussed and the assumptions involved are examined.

Data exploration systems for databases

NASA Technical Reports Server (NTRS)

Greene, Richard J.; Hield, Christopher

1992-01-01

Data exploration systems apply machine learning techniques, multivariate statistical methods, information theory, and database theory to databases to identify significant relationships among the data and summarize information. The result of applying data exploration systems should be a better understanding of the structure of the data and a perspective of the data enabling an analyst to form hypotheses for interpreting the data. This paper argues that data exploration systems need a minimum amount of domain knowledge to guide both the statistical strategy and the interpretation of the resulting patterns discovered by these systems.

Surveillance theory applied to virus detection: a case for targeted discovery

USGS Publications Warehouse

Bogich, Tiffany L.; Anthony, Simon J.; Nichols, James D.

2013-01-01

Virus detection and mathematical modeling have gone through rapid developments in the past decade. Both offer new insights into the epidemiology of infectious disease and characterization of future risk; however, modeling has not yet been applied to designing the best surveillance strategies for viral and pathogen discovery. We review recent developments and propose methods to integrate viral and pathogen discovery and mathematical modeling through optimal surveillance theory, arguing for a more targeted approach to novel virus detection guided by the principles of adaptive management and structured decision-making.

Factorization and reduction methods for optimal control of distributed parameter systems

NASA Technical Reports Server (NTRS)

Burns, J. A.; Powers, R. K.

1985-01-01

A Chandrasekhar-type factorization method is applied to the linear-quadratic optimal control problem for distributed parameter systems. An aeroelastic control problem is used as a model example to demonstrate that if computationally efficient algorithms, such as those of Chandrasekhar-type, are combined with the special structure often available to a particular problem, then an abstract approximation theory developed for distributed parameter control theory becomes a viable method of solution. A numerical scheme based on averaging approximations is applied to hereditary control problems. Numerical examples are given.

Brønsted acidity of protic ionic liquids: a modern ab initio valence bond theory perspective.

PubMed

Patil, Amol Baliram; Mahadeo Bhanage, Bhalchandra

2016-09-21

Room temperature ionic liquids (ILs), especially protic ionic liquids (PILs), are used in many areas of the chemical sciences. Ionicity, the extent of proton transfer, is a key parameter which determines many physicochemical properties and in turn the suitability of PILs for various applications. The spectrum of computational chemistry techniques applied to investigate ionic liquids includes classical molecular dynamics, Monte Carlo simulations, ab initio molecular dynamics, Density Functional Theory (DFT), CCSD(t) etc. At the other end of the spectrum is another computational approach: modern ab initio Valence Bond Theory (VBT). VBT differs from molecular orbital theory based methods in the expression of the molecular wave function. The molecular wave function in the valence bond ansatz is expressed as a linear combination of valence bond structures. These structures include covalent and ionic structures explicitly. Modern ab initio valence bond theory calculations of representative primary and tertiary ammonium protic ionic liquids indicate that modern ab initio valence bond theory can be employed to assess the acidity and ionicity of protic ionic liquids a priori.

Application of Planned Behavior Theory to Account for College Students' Occupational Intentions in Contingent Employment

ERIC Educational Resources Information Center

Huang, Jie-Tsuen

2011-01-01

The purpose of this study was to apply Ajzen's (1991) theory of planned behavior to examine college students' intentions to engage in contingent employment. Data were collected from 845 students in 8 colleges and universities in Taiwan. The results of structural equation modeling analyses indicated that both attitude and subjective norms were…

What Can Graph Theory Tell Us about Word Learning and Lexical Retrieval?

ERIC Educational Resources Information Center

Vitevitch, Michael S.

2008-01-01

Purpose: Graph theory and the new science of networks provide a mathematically rigorous approach to examine the development and organization of complex systems. These tools were applied to the mental lexicon to examine the organization of words in the lexicon and to explore how that structure might influence the acquisition and retrieval of…

Applying Schema Theory to Mass Media Information Processing: Moving toward a Formal Model.

ERIC Educational Resources Information Center

Wicks, Robert H.

Schema theory may be significant in determining if and how news audiences process information. For any given news topic, people have from none to many schemata (cognitive structures that represent organized knowledge about a given concept or type of stimulus abstracted from prior experience) upon which to draw. Models of how schemata are used…

Organization Theory: Implications for Design.

ERIC Educational Resources Information Center

Young, David A.

1979-01-01

This paper outlines the possibilities for scientific inquiry into the design of the university organization structure. In a theoretical context, bureaucratic management techniques were not refined enough to apply to university structures until the mid-twentieth century. Universities today are bureaucracies in that they have a formal division of…

Approximate Fluid-Structure Interaction Theories for Acoustic Echo Signal Predictions.

DTIC Science & Technology

1981-10-19

mations for Structure-Fluid Interaction Analysis," PA,,e𔃻n:s the Second International Symposium on Tnnovative Nijm,r;-a’ An.ti si in Applied ... Engineering Science, Montreal, Canada, June !,150, pi. 79-88. 8. Junger, M.C. and Feit, D., Sound. Structures and tht ir Tu,>i the MIT Press, Cambridge, MA

Band-gap corrected density functional theory calculations for InAs/GaSb type II superlattices

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

Wang, Jianwei; Zhang, Yong

2014-12-07

We performed pseudopotential based density functional theory (DFT) calculations for GaSb/InAs type II superlattices (T2SLs), with bandgap errors from the local density approximation mitigated by applying an empirical method to correct the bulk bandgaps. Specifically, this work (1) compared the calculated bandgaps with experimental data and non-self-consistent atomistic methods; (2) calculated the T2SL band structures with varying structural parameters; (3) investigated the interfacial effects associated with the no-common-atom heterostructure; and (4) studied the strain effect due to lattice mismatch between the two components. This work demonstrates the feasibility of applying the DFT method to more exotic heterostructures and defect problemsmore » related to this material system.« less

Information Theory Applied to Animal Communication Systems and Its Possible Application to SETI

NASA Astrophysics Data System (ADS)

Hanser, Sean F.; Doyle, Laurance R.; McCowan, Brenda; Jenkins, Jon M.

2004-06-01

Information theory, as first introduced by Claude Shannon (Shannon &Weaver 1949) quantitatively evaluates the organizational complexity of communication systems. At the same time George Zipf was examining linguistic structure in a way that was mathematically similar to the components of the Shannon first-order entropy (Zipf 1949). Both Shannon's and Zipf's mathematical procedures have been applied to animal communication and recently have been providing insightful results. The Zipf plot is a useful tool for a first estimate of the characterization of a communication system's complexity (which can later be examined for complex structure at deeper levels using Shannon entropic analysis). In this paper we shall discuss some of the applications and pitfalls of using the Zipf distribution as a preliminary evaluator of the communication complexity of a signaling system.

Remembering Zoltan Dienes, a Maverick of Mathematics Teaching and Learning: Applying the Variability Principles to Teach Algebra

ERIC Educational Resources Information Center

Gningue, Serigne Mbaye

2016-01-01

This paper is written in honor of Zoltan Paul Dienes, an internationally renowned mathematician and educator, who passed away in January 2014. It is an attempt to describe, analyze and apply Dienes' theory on how mathematical structures can be taught by applying his four principles of learning upon which he believed a teacher can base concept…

BRST Formalism in Self-Dual Chern-Simons Theory with Matter Fields

NASA Astrophysics Data System (ADS)

Dai, Jialiang; Fan, Engui

2018-04-01

We apply BRST method to the self-dual Chern-Simons gauge theory with matter fields and the generators of symmetries of the system from an elegant Lie algebra structure under the operation of Poisson bracket. We discuss four different cases: abelian, nonabelian, relativistic, and nonrelativistic situations and extend the system to the whole phase space including ghost fields. In addition, we obtain the BRST charge of the field system and check its nilpotence of the BRST transformation which plays an important role such as in topological quantum field theory and string theory.

Effect of Structural Heat Conduction on the Performance of Micro-combustors and Micro-thrusters

DTIC Science & Technology

2005-01-01

numerical models lends credence to the principles underlying the modified Mallard- Le Chatelier theory, the quantitative discrepancy between the analytical...employs reasoning similar to that used by Mallard and Le Chatelier to predict the velocity of a freely propagating flame but extends it to include the...equation (2-1). 19 2.2.1. Adiabatic theory The thermal theory of Mallard and Le Chatelier applies to freely propagating flame that does not

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

NASA Astrophysics Data System (ADS)

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

1996-01-01

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

Nursing Clinical Instructor Experiences of Empowerment in Rwanda: Applying Kanter's and Spreitzer's Theories.

PubMed

Thuss, Mary; Babenko-Mould, Yolanda; Andrusyszyn, Mary-Anne; Laschinger, Heather K S

2016-10-15

The purpose of this study was to explore Rwandan nursing clinical instructors' (CIs) experiences of structural and psychological empowerment. CIs play a vital role in students' development by facilitating learning in health care practice environments. Quality nursing education hinges on the CI's ability to enact a professional role. A descriptive qualitative method was used to obtain an understanding of CIs empowerment experiences in practice settings. Kanter's Theory of Structural Power in Organizations and Spreitzer's Psychological Empowerment Theory were used as theoretical frameworks to interpret experiences. Interview data from 21 CIs were used to complete a secondary analysis. Most participants perceived the structural components of informal power, resources, and support while formal power and opportunity were limited, diminishing their sense of structural empowerment. Psychological empowerment for CIs stemmed from a sense of competence, meaning, impact and self-determination they had for their teaching roles and responsibilities in the practice setting.

Can ethnography save the life of medical ethics?

PubMed

Hoffmaster, B

1992-12-01

Since its inception contemporary medical ethics has been regarded by many of its practitioners as 'applied ethics', that is, the application of philosophical theories to the moral problems that arise in health care. This 'applied ethics' model of medical ethics is, however, beset with internal and external difficulties. The internal difficulties point out that the model is intrinsically flawed. The external difficulties arise because the model does not fit work in the field. Indeed, the strengths of that work are its highly nuanced, particularized analyses of cases and issues and its appreciation of the circumstances and contexts that generate and structure these cases and issues. A shift away from a theory-driven 'applied ethics' to a more situational, contextual approach to medical ethics opens the way for ethnographic studies of moral problems in health care as well as a conception of moral theory that is more responsive to the empirical dimensions of those problems.

The Effect of Lesson Structures on Predication and Inference.

ERIC Educational Resources Information Center

Li, Tiancheng; Jonassen, David H.

Theories of situated learning attempt to overcome the ill-structured nature of some domains of learning, and to use students' tendencies to construct knowledge representation on context and prior experience. Success comes when students apply abstract principles to real life. This study compares the effectiveness of two different lesson structures…

School Success as a Process of Structuration

ERIC Educational Resources Information Center

Tubin, Dorit

2015-01-01

Purpose: The purpose of the present study is to explore the process, routines, and structuration at successful schools leading their students to high achievements. Method: The approach of building a theory from case study research together with process perspective and an organizational routines model were applied to analyzing seven successful…

Astrophysical data analysis with information field theory

NASA Astrophysics Data System (ADS)

Enßlin, Torsten

2014-12-01

Non-parametric imaging and data analysis in astrophysics and cosmology can be addressed by information field theory (IFT), a means of Bayesian, data based inference on spatially distributed signal fields. IFT is a statistical field theory, which permits the construction of optimal signal recovery algorithms. It exploits spatial correlations of the signal fields even for nonlinear and non-Gaussian signal inference problems. The alleviation of a perception threshold for recovering signals of unknown correlation structure by using IFT will be discussed in particular as well as a novel improvement on instrumental self-calibration schemes. IFT can be applied to many areas. Here, applications in in cosmology (cosmic microwave background, large-scale structure) and astrophysics (galactic magnetism, radio interferometry) are presented.

A new method for finding the minimum free energy pathway of ions and small molecule transportation through protein based on 3D-RISM theory and the string method

NASA Astrophysics Data System (ADS)

Yoshida, Norio

2018-05-01

A new method for finding the minimum free energy pathway (MFEP) of ions and small molecule transportation through a protein based on the three-dimensional reference interaction site model (3D-RISM) theory combined with the string method has been proposed. The 3D-RISM theory produces the distribution function, or the potential of mean force (PMF), for transporting substances around the given protein structures. By applying the string method to the PMF surface, one can readily determine the MFEP on the PMF surface. The method has been applied to consider the Na+ conduction pathway of channelrhodopsin as an example.

CSM research: Methods and application studies

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.

1989-01-01

Computational mechanics is that discipline of applied science and engineering devoted to the study of physical phenomena by means of computational methods based on mathematical modeling and simulation, utilizing digital computers. The discipline combines theoretical and applied mechanics, approximation theory, numerical analysis, and computer science. Computational mechanics has had a major impact on engineering analysis and design. When applied to structural mechanics, the discipline is referred to herein as computational structural mechanics. Complex structures being considered by NASA for the 1990's include composite primary aircraft structures and the space station. These structures will be much more difficult to analyze than today's structures and necessitate a major upgrade in computerized structural analysis technology. NASA has initiated a research activity in structural analysis called Computational Structural Mechanics (CSM). The broad objective of the CSM activity is to develop advanced structural analysis technology that will exploit modern and emerging computers, such as those with vector and/or parallel processing capabilities. Here, the current research directions for the Methods and Application Studies Team of the Langley CSM activity are described.

Structuring an Adult Learning Environment. Part IV: Establishing an Environment for Problem Solving.

ERIC Educational Resources Information Center

Frankel, Alan; Brennan, James

Through the years, many researchers have advanced theories of problem solving. Probably the best definition of problem solving to apply to adult learning programs is Wallas' (1926) four-stage theory. The stages are (1) a preparation, (2) an incubation period, (3) a moment of illumination, and (4) final application or verification of the solution.…

Applying Hand-Held 3D Printing Technology to the Teaching of VSEPR Theory

ERIC Educational Resources Information Center

Dean, Natalie L.; Ewan, Corrina; McIndoe, J. Scott

2016-01-01

The use of hand-held 3D printing technology provides a unique and engaging approach to learning VSEPR theory by enabling students to draw three-dimensional depictions of different molecular geometries, giving them an appreciation of the shapes of the building blocks of complex molecular structures. Students are provided with 3D printing pens and…

Applying Multidimensional Item Response Theory Models in Validating Test Dimensionality: An Example of K-12 Large-Scale Science Assessment

ERIC Educational Resources Information Center

Li, Ying; Jiao, Hong; Lissitz, Robert W.

2012-01-01

This study investigated the application of multidimensional item response theory (IRT) models to validate test structure and dimensionality. Multiple content areas or domains within a single subject often exist in large-scale achievement tests. Such areas or domains may cause multidimensionality or local item dependence, which both violate the…

Quark Mass Functions and Pion Structure in the Covariant Spectator Theory

DOE PAGES

Biernat, Elmar P.; Gross, Franz; Pena, Teresa; ...

2018-05-24

The Covariant Spectator Theory is applied to the description of quarks and the pion. The dressed quark mass function is calculated dynamically in Minkowski space and used in the calculation of the pion electromagnetic form factor. The effects of the mass function on the pion form factor and the different quark-pole contributions to the triangle diagram then are analyzed.

Quark Mass Functions and Pion Structure in the Covariant Spectator Theory

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

Biernat, Elmar P.; Gross, Franz; Pena, Teresa

The Covariant Spectator Theory is applied to the description of quarks and the pion. The dressed quark mass function is calculated dynamically in Minkowski space and used in the calculation of the pion electromagnetic form factor. The effects of the mass function on the pion form factor and the different quark-pole contributions to the triangle diagram then are analyzed.

Autonomy Support, Need Satisfaction, and Motivation for Support among Adults with Intellectual Disability: Testing a Self-Determination Theory Model

ERIC Educational Resources Information Center

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

2018-01-01

The tenets of self-determination theory as applied to support were tested with structural equation modelling for 186 people with ID with a mild to borderline level of functioning. The results showed that (a) perceived autonomy support was positively associated with autonomous motivation and with satisfaction of need for autonomy, relatedness, and…

Towards the design of novel cuprate-based superconductors

NASA Astrophysics Data System (ADS)

Yee, Chuck-Hou

The rapid maturation of materials databases combined with recent development of theories seeking to quantitatively link chemical properties to superconductivity in the cuprates provide the context to design novel superconductors. In this talk, we describe a framework designed to search for new superconductors, which combines chemical rules-of-thumb, insights of transition temperatures from dynamical mean-field theory, first-principles electronic structure tools, materials databases and structure prediction via evolutionary algorithms. We apply the framework to design a family of copper oxysulfides and evaluate the prospects of superconductivity.

Quantization, Frobenius and Bi algebras from the Categorical Framework of Quantum Mechanics to Natural Language Semantics

NASA Astrophysics Data System (ADS)

Sadrzadeh, Mehrnoosh

2017-07-01

Compact Closed categories and Frobenius and Bi algebras have been applied to model and reason about Quantum protocols. The same constructions have also been applied to reason about natural language semantics under the name: ``categorical distributional compositional'' semantics, or in short, the ``DisCoCat'' model. This model combines the statistical vector models of word meaning with the compositional models of grammatical structure. It has been applied to natural language tasks such as disambiguation, paraphrasing and entailment of phrases and sentences. The passage from the grammatical structure to vectors is provided by a functor, similar to the Quantization functor of Quantum Field Theory. The original DisCoCat model only used compact closed categories. Later, Frobenius algebras were added to it to model long distance dependancies such as relative pronouns. Recently, bialgebras have been added to the pack to reason about quantifiers. This paper reviews these constructions and their application to natural language semantics. We go over the theory and present some of the core experimental results.

Density-functional theory applied to d- and f-electron systems

NASA Astrophysics Data System (ADS)

Wu, Xueyuan

Density functional theory (DFT) has been applied to study the electronic and geometric structures of prototype d- and f-electron systems. For the d-electron system, all electron DFT with gradient corrections to the exchange and correlation functionals has been used to investigate the properties of small neutral and cationic vanadium clusters. Results are in good agreement with available experimental and other theoretical data. For the f-electron system, a hybrid DFT, namely, B3LYP (Becke's 3-parameter hybrid functional using the correlation functional of Lee, Yang and Parr) with relativistic effective core potentials and cluster models has been applied to investigate the nature of chemical bonding of both the bulk and the surfaces of plutonium monoxide and dioxide. Using periodic models, the electronic and geometric structures of PuO2 and its (110) surface, as well as water adsorption on this surface have also been investigated using DFT in both local density approximation (LDA) and generalized gradient approximation (GGA) formalisms.

Brueckner-AMD Study of Light Nuclei

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

Kato, Kiyoshi; Yamamoto, Yuhei; Togashi, Tomoaki

2011-06-28

We applied the Brueckner theory to the Antisymmetrized Molecular Dynamics (AMD) and examined the reliability of the AMD calculations based on realistic nuclear interactions. In this method, the Bethe-Goldstone equation in the Brueckner theory is solved for every nucleon pair described by wave packets of AMD, and the G-matrix is calculated with single-particle orbits in AMD self-consistently. We apply this framework to not only {alpha}-nuclei but also N{ne}Z nuclei with A{approx}10. It is confirmed that these results present the description of reasonable cluster structures and energy-level schemes comparable with the experimental ones in light nuclei.

La Linguistica y el Estructuralismo (Linguistics and Structuralism)

ERIC Educational Resources Information Center

Lugo, Ramon Medina

1976-01-01

This article discusses the relationship between linguistic theory and structuralist philosophy, and explores the possibility of applying structuralist ideas to other human sciences such as anthropology. (Text is in Spanish.) (CLK)

Generalized uncertainty principles and quantum field theory

NASA Astrophysics Data System (ADS)

Husain, Viqar; Kothawala, Dawood; Seahra, Sanjeev S.

2013-01-01

Quantum mechanics with a generalized uncertainty principle arises through a representation of the commutator [x^,p^]=if(p^). We apply this deformed quantization to free scalar field theory for f±=1±βp2. The resulting quantum field theories have a rich fine scale structure. For small wavelength modes, the Green’s function for f+ exhibits a remarkable transition from Lorentz to Galilean invariance, whereas for f- such modes effectively do not propagate. For both cases Lorentz invariance is recovered at long wavelengths.

Complex Adaptive Systems and the Development of Force Structures for the United States Air Force

DTIC Science & Technology

2014-12-01

the ideas of self -organized criticality to the theory of international relations—and by extension to the formation of na- tional policy to interact...and Bak and Paczuski, “Complexity, Contingency, and Criticality,” 6689–96. More recent work applies the theory of self -organized criticality to the... theory of international relations. 15. Mann, “Chaos, Criticality, and Strategic Thought,” 45–50. 16. Brunk, “ Self -Organized Criticality,” 427–45. A

Scaling of the low-energy structure in above-threshold ionization in the tunneling regime: theory and experiment.

PubMed

Guo, L; Han, S S; Liu, X; Cheng, Y; Xu, Z Z; Fan, J; Chen, J; Chen, S G; Becker, W; Blaga, C I; DiChiara, A D; Sistrunk, E; Agostini, P; DiMauro, L F

2013-01-04

A calculation of the second-order (rescattering) term in the S-matrix expansion of above-threshold ionization is presented for the case when the binding potential is the unscreened Coulomb potential. Technical problems related to the divergence of the Coulomb scattering amplitude are avoided in the theory by considering the depletion of the atomic ground state due to the applied laser field, which is well defined and does not require the introduction of a screening constant. We focus on the low-energy structure, which was observed in recent experiments with a midinfrared wavelength laser field. Both the spectra and, in particular, the observed scaling versus the Keldysh parameter and the ponderomotive energy are reproduced. The theory provides evidence that the origin of the structure lies in the long-range Coulomb interaction.

HOTCFGM-1D: A Coupled Higher-Order Theory for Cylindrical Structural Components with Through-Thickness Functionally Graded Microstructures

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Aboudi, Jacob

1998-01-01

The objective of this three-year project was to develop and deliver to NASA Lewis one-dimensional and two-dimensional higher-order theories, and related computer codes, for the analysis, optimization and design of cylindrical functionally graded materials/structural components for use in advanced aircraft engines (e.g., combustor linings, rotor disks, heat shields, blisk blades). To satisfy this objective, a quasi one-dimensional version of the higher-order theory, HOTCFGM-1D, and four computer codes based on this theory, for the analysis, design and optimization of cylindrical structural components functionally graded in the radial direction were developed. The theory is applicable to thin multi-phased composite shell/cylinders subjected to macroscopically axisymmetric thermomechanical and inertial loading applied uniformly along the axial direction such that the overall deformation is characterized by a constant average axial strain. The reinforcement phases are uniformly distributed in the axial and circumferential directions, and arbitrarily distributed in the radial direction, thereby allowing functional grading of the internal reinforcement in this direction.

Music in film and animation: experimental semiotics applied to visual, sound and musical structures

NASA Astrophysics Data System (ADS)

Kendall, Roger A.

2010-02-01

The relationship of music to film has only recently received the attention of experimental psychologists and quantificational musicologists. This paper outlines theory, semiotical analysis, and experimental results using relations among variables of temporally organized visuals and music. 1. A comparison and contrast is developed among the ideas in semiotics and experimental research, including historical and recent developments. 2. Musicological Exploration: The resulting multidimensional structures of associative meanings, iconic meanings, and embodied meanings are applied to the analysis and interpretation of a range of film with music. 3. Experimental Verification: A series of experiments testing the perceptual fit of musical and visual patterns layered together in animations determined goodness of fit between all pattern combinations, results of which confirmed aspects of the theory. However, exceptions were found when the complexity of the stratified stimuli resulted in cognitive overload.

Gravitational tides in the outer planets. I - Implications of classical tidal theory. II - Interior calculations and estimation of the tidal dissipation factor

NASA Technical Reports Server (NTRS)

Ioannou, Petros J.; Lindzen, Richard S.

1993-01-01

Classical tidal theory is applied to the atmospheres of the outer planets. The tidal geopotential due to satellites of the outer planets is discussed, and the solution of Laplace's tidal equation for Hough modes appropriate to tides on the outer planets is examined. The vertical structure of tidal modes is described, noting that only relatively high-order meridional mode numbers can propagate vertically with growing amplitude. Expected magnitudes for tides in the visible atmosphere of Jupiter are discussed. The classical theory is extended to planetary interiors taking the effects of spherically and self-gravity into account. The thermodynamic structure of Jupiter is described and the WKB theory of the vertical structure equation is presented. The regions for which inertial, gravity, and acoustic oscillations are possible are delineated. The case of a planet with a neutral interior is treated, discussing the various atmospheric boundary conditions and showing that the tidal response is small.

Renormalization group method based on the ionization energy theory

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

Arulsamy, Andrew Das, E-mail: sadwerdna@gmail.com; School of Physics, University of Sydney, Sydney, New South Wales 2006

2011-03-15

Proofs are developed to explicitly show that the ionization energy theory is a renormalized theory, which mathematically exactly satisfies the renormalization group formalisms developed by Gell-Mann-Low, Shankar and Zinn-Justin. However, the cutoff parameter for the ionization energy theory relies on the energy-level spacing, instead of lattice point spacing in k-space. Subsequently, we apply the earlier proofs to prove that the mathematical structure of the ionization-energy dressed electron-electron screened Coulomb potential is exactly the same as the ionization-energy dressed electron-phonon interaction potential. The latter proof is proven by means of the second-order time-independent perturbation theory with the heavier effective mass condition,more » as required by the electron-electron screened Coulomb potential. The outcome of this proof is that we can derive the heat capacity and the Debye frequency as a function of ionization energy, which can be applied in strongly correlated matter and nanostructures.« less

Refined gradient theory of scale-dependent superthin rods

NASA Astrophysics Data System (ADS)

Lurie, S. A.; Kuznetsova, E. L.; Rabinskii, L. N.; Popova, E. I.

2015-03-01

A version of the refined nonclassical theory of thin beams whose thickness is comparable with the scale characteristic of the material structure is constructed on the basis of the gradient theory of elasticity which, in contrast to the classical theory, contains some additional physical characteristics depending on the structure scale parameters and is therefore most appropriate for modeling the strains of scale-dependent systems. The fundamental conditions for the well-posedness of the gradient theories are obtained for the first time, and it is shown that some of the known applied gradient theories do not generally satisfy the well-posedness criterion. A version of the well-posed gradient strain theory which satisfies the symmetry condition is proposed. The well-posed gradient theory is then used to implement the method of kinematic hypotheses for constructing a refined theory of scale-dependent beams. The equilibrium equations of the refined theory of scale-dependent Timoshenko and Bernoulli beams are obtained. It is shown that the scale effects are localized near the beam ends, and therefore, taking the scale effects into account does not give any correction to the bending rigidity of long beams as noted in the previously published papers dealing with the scale-dependent beams.

Applying the Theory of Planned Behavior to Explore the Relation between Smoke-Free Air Laws and Quitting Intentions

ERIC Educational Resources Information Center

Macy, Jonathan T.; Middlestadt, Susan E.; Seo, Dong-Chul; Kolbe, Lloyd J.; Jay, Stephen J.

2012-01-01

Smoke-free air policies have been shown to reduce smoking, but the mechanism of behavior change is not well understood. The authors used structural equation modeling to conduct a theory of planned behavior analysis with data from 395 smokers living in seven Texas cities, three with a comprehensive smoke-free air law and four without a…

Non-Price Competition and the Structure of the Online Information Industry: Q-Analysis of Medical Databases and Hosts.

ERIC Educational Resources Information Center

Davies, Roy

1987-01-01

Discussion of the online information industry emphasizes the effects of non-price competition on its structure and the firms involved. Q-analysis is applied to data on medical databases and hosts, changes over a three-year period are identified, and an optimum structure for the industry based on economic theory is considered. (Author/LRW)

Incorporation of Half-Cycle Theory Into Ko Aging Theory for Aerostructural Flight-Life Predictions

NASA Technical Reports Server (NTRS)

Ko, William L.; Tran, Van T.; Chen, Tony

2007-01-01

The half-cycle crack growth theory was incorporated into the Ko closed-form aging theory to improve accuracy in the predictions of operational flight life of failure-critical aerostructural components. A new crack growth computer program was written for reading the maximum and minimum loads of each half-cycle from the random loading spectra for crack growth calculations and generation of in-flight crack growth curves. The unified theories were then applied to calculate the number of flights (operational life) permitted for B-52B pylon hooks and Pegasus adapter pylon hooks to carry the Hyper-X launching vehicle that air launches the X-43 Hyper-X research vehicle. A crack growth curve for each hook was generated for visual observation of the crack growth behavior during the entire air-launching or captive flight. It was found that taxiing and the takeoff run induced a major portion of the total crack growth per flight. The operational life theory presented can be applied to estimate the service life of any failure-critical structural components.

Bonding and Microstructural Stability in Ni55Ti45 Studied by Experimental and Theoretical Methods

NASA Technical Reports Server (NTRS)

Stott, Amanda C.; Brauer, Jonathan I.; Garg, Anita; Pepper, Stephen V.; Abel, Phillip B.; DellaCorte, Christopher; Noebe, Ronald D.; Glennon, Glenn; Bylaska, Eric; Dixon, David A.

2010-01-01

Spiral orbit tribometry friction tests performed on Ni-rich Ni55Ti45 titanium ball bearings indicate that this alloy is a promising candidate for future aerospace bearing applications. Microstructural characterization of the bearing specimens was performed using transmission electron microscopy and energy dispersive spectroscopy, with NiTi, Ni4Ti3, Ni3Ti, and Ni2Ti4Ox phases identified within the microstructure of the alloy. Density functional theory was applied to predict the electronic structure of the NixTiy phases, including the band structure and site projected density of states. Ultraviolet photoemission spectroscopy was used to verify the density of states results from the density functional theory calculations, with good agreement observed between experiment and theory.

Determination of the Shear Stress Distribution in a Laminate from the Applied Shear Resultant--A Simplified Shear Solution

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Aboudi, Jacob; Yarrington, Phillip W.

2007-01-01

The simplified shear solution method is presented for approximating the through-thickness shear stress distribution within a composite laminate based on laminated beam theory. The method does not consider the solution of a particular boundary value problem, rather it requires only knowledge of the global shear loading, geometry, and material properties of the laminate or panel. It is thus analogous to lamination theory in that ply level stresses can be efficiently determined from global load resultants (as determined, for instance, by finite element analysis) at a given location in a structure and used to evaluate the margin of safety on a ply by ply basis. The simplified shear solution stress distribution is zero at free surfaces, continuous at ply boundaries, and integrates to the applied shear load. Comparisons to existing theories are made for a variety of laminates, and design examples are provided illustrating the use of the method for determining through-thickness shear stress margins in several types of composite panels and in the context of a finite element structural analysis.

Remote sensing strategic exploration of large or superlarge gold ore deposits

NASA Astrophysics Data System (ADS)

Yan, Shouxun; Liu, Qingsheng; Wang, Hongmei; Wang, Zhigang; Liu, Suhong

1998-08-01

To prospect large or superlarge gold ore deposits, blending of remote sensing techniques and modern metallogenitic theories is one of the effective measures. The theory of metallogeny plays a director role before and during remote sensing technique applications. The remote sensing data with different platforms and different resolutions can be respectively applied to detect direct or indirect metallogenic information, and to identify the ore-controlling structure, especially, the ore-controlling structural assemblage, which, conversely, usually are the new conditions to study and to modify the metallogenic model, and to further develop the exploration model of large or superlarge ore deposits. Guidance by an academic idea of 'adjustment structure' which is the conceptual model of transverse structure, an obscured ore- controlling transverse structure has been identified on the refined TM imagery in the Hadamengou gold ore deposit, Setai Hyperspectral Geological Remote Sensing Testing Site (SHGRSTS), Wulashan mountains, Inner Mongolia, China. Meanwhile, The MAIS data has been applied to quickly identify the auriferous alteration rocks with Correspondence Analysis method and Spectral Angle Mapping (SAM) technique. The theoretical system and technical method of remote sensing strategic exploration of large or superlarge gold ore deposits have been demonstrated by the practices in the SHGRSTS.

Neural-network-enhanced evolutionary algorithm applied to supported metal nanoparticles

NASA Astrophysics Data System (ADS)

Kolsbjerg, E. L.; Peterson, A. A.; Hammer, B.

2018-05-01

We show that approximate structural relaxation with a neural network enables orders of magnitude faster global optimization with an evolutionary algorithm in a density functional theory framework. The increased speed facilitates reliable identification of global minimum energy structures, as exemplified by our finding of a hollow Pt13 nanoparticle on an MgO support. We highlight the importance of knowing the correct structure when studying the catalytic reactivity of the different particle shapes. The computational speedup further enables screening of hundreds of different pathways in the search for optimum kinetic transitions between low-energy conformers and hence pushes the limits of the insight into thermal ensembles that can be obtained from theory.

Electron transport theory in magnetic nanostructures

NASA Astrophysics Data System (ADS)

Choy, Tat-Sang

Magnetic nanostructure has been a new trend because of its application in making magnetic sensors, magnetic memories, and magnetic reading heads in hard disks drives. Although a variety of nanostructures have been realized in experiments in recent years by innovative sample growth techniques, the theoretical study of these devices remain a challenge. On one hand, atomic scale modeling is often required for studying the magnetic nanostructures; on the other, these structures often have a dimension on the order of one micrometer, which makes the calculation numerically intensive. In this work, we have studied the electron transport theory in magnetic nanostructures, with special attention to the giant magnetoresistance (GMR) structure. We have developed a model that includes the details of the band structure and disorder, both of which are both important in obtaining the conductivity. We have also developed an efficient algorithm to compute the conductivity in magnetic nanostructures. The model and the algorithm are general and can be applied to complicated structures. We have applied the theory to current-perpendicular-to-plane GMR structures and the results agree with experiments. Finally, we have searched for the atomic configuration with the highest GMR using the simulated annealing algorithm. This method is computationally intensive because we have to compute the GMR for 103 to 104 configurations. However it is still very efficient because the number of steps it takes to find the maximum is much smaller than the number of all possible GMR structures. We found that ultra-thin NiCu superlattices have surprisingly large GMR even at the moderate disorder in experiments. This finding may be useful in improving the GMR technology.

Information Theory and Voting Based Consensus Clustering for Combining Multiple Clusterings of Chemical Structures.

PubMed

Saeed, Faisal; Salim, Naomie; Abdo, Ammar

2013-07-01

Many consensus clustering methods have been applied in different areas such as pattern recognition, machine learning, information theory and bioinformatics. However, few methods have been used for chemical compounds clustering. In this paper, an information theory and voting based algorithm (Adaptive Cumulative Voting-based Aggregation Algorithm A-CVAA) was examined for combining multiple clusterings of chemical structures. The effectiveness of clusterings was evaluated based on the ability of the clustering method to separate active from inactive molecules in each cluster, and the results were compared with Ward's method. The chemical dataset MDL Drug Data Report (MDDR) and the Maximum Unbiased Validation (MUV) dataset were used. Experiments suggest that the adaptive cumulative voting-based consensus method can improve the effectiveness of combining multiple clusterings of chemical structures. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Studying complex interventions: reflections from the FEMHealth project on evaluating fee exemption policies in West Africa and Morocco.

PubMed

Marchal, Bruno; Van Belle, Sara; De Brouwere, Vincent; Witter, Sophie

2013-11-08

The importance of complexity in health care policy-making and interventions, as well as research and evaluation is now widely acknowledged, but conceptual confusion reigns and few applications of complexity concepts in research design have been published. Taking user fee exemption policies as an entry point, we explore the methodological consequences of 'complexity' for health policy research and evaluation. We first discuss the difference between simple, complicated and complex and introduce key concepts of complex adaptive systems theory. We then apply these to fee exemption policies. We describe how the FEMHealth research project attempts to address the challenges of complexity in its evaluation of fee exemption policies for maternal care. We present how the development of a programme theory for fee exemption policies was used to structure the overall design. This allowed for structured discussions on the hypotheses held by the researchers and helped to structure, integrate and monitor the sub-studies. We then show how the choice of data collection methods and tools for each sub-study was informed by the overall design. Applying key concepts from complexity theory proved useful in broadening our view on fee exemption policies and in developing the overall research design. However, we encountered a number of challenges, including maintaining adaptiveness of the design during the evaluation, and ensuring cohesion in the disciplinary diversity of the research teams. Whether the programme theory can fulfil its claimed potential to help making sense of the findings is yet to be tested. Experience from other studies allows for some moderate optimism. However, the biggest challenge complexity throws at health system researchers may be to deal with the unknown unknowns and the consequence that complex issues can only be understood in retrospect. From a complexity theory point of view, only plausible explanations can be developed, not predictive theories. Yet here, theory-driven approaches may help.

New developments in social interdependence theory.

PubMed

Johnson, David W; Johnson, Roger T

2005-11-01

Social interdependence theory is a classic example of the interaction of theory, research, and practice. The premise of the theory is the way that goals are structured determines how individuals interact, which in turn creates outcomes. Since its formulation nearly 60 years ago, social interdependence theory has been modified, extended, and refined on the basis of the increasing knowledge about, and application of, the theory. Researchers have conducted over 750 research studies on the relative merits of cooperative, competitive, and individualistic efforts and the conditions under which each is appropriate. Social interdependence theory has been widely applied, especially in education and business. These applications have resulted in revisions of the theory and the generation of considerable new research. The authors critically analyze the new developments resulting from extensive research on, and wide-scale applications of, social interdependence theory.

Comparing Vertical Scales Derived from Dichotomous and Polytomous IRT Models for a Test Composed of Testlets.

ERIC Educational Resources Information Center

Bishop, N. Scott; Omar, Md Hafidz

Previous research has shown that testlet structures often violate important assumptions of dichotomous item response theory (D-IRT) models, applied to item-level scores, that can in turn affect the results of many measurement applications. In this situation, polytomous IRT (P-IRT) models, applied to testlet-level scores, have been used as an…

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

ERIC Educational Resources Information Center

Umarik, Meril; Loogma, Krista; Hinno, Krista

2010-01-01

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

Family Structure and Child Mortality in Sub-Saharan Africa: Cross-National Effects of Polygyny

ERIC Educational Resources Information Center

Omariba, D. Walter Rasugu; Boyle, Michael H.

2007-01-01

This study applies multilevel logistic regression to Demographic and Health Survey data from 22 sub-Saharan African countries to examine whether the relationship between child mortality and family structure, with a specific emphasis on polygyny, varies cross-nationally and over time. Hypotheses were developed on the basis of competing theories on…

Standard Errors of Estimated Latent Variable Scores with Estimated Structural Parameters

ERIC Educational Resources Information Center

Hoshino, Takahiro; Shigemasu, Kazuo

2008-01-01

The authors propose a concise formula to evaluate the standard error of the estimated latent variable score when the true values of the structural parameters are not known and must be estimated. The formula can be applied to factor scores in factor analysis or ability parameters in item response theory, without bootstrap or Markov chain Monte…

The Influence of Gender Structures on Perceptions of Workplace Culture and Climate. AIR 1998 Annual Forum Paper.

ERIC Educational Resources Information Center

Arnold, Gertrude L.; Peterson, Marvin W.

This study applied feminist organizational theory to explore the effects of gender structure on perceptions of organizational culture and climate. The study used data from a 1994 survey of permanent, noninstructional staff at a major midwestern university (n=4,800). The research sought to determine: (1) whether gender-dominated organizational…

Further Development of Ko Displacement Theory for Deformed Shape Predictions of Nonuniform Aerospace Structures

NASA Technical Reports Server (NTRS)

Ko, William L.; Fleischer, Van Tran

2009-01-01

The Ko displacement theory previously formulated for deformed shape predictions of nonuniform beam structures is further developed mathematically. The further-developed displacement equations are expressed explicitly in terms of geometrical parameters of the beam and bending strains at equally spaced strain-sensing stations along the multiplexed fiber-optic sensor line installed on the bottom surface of the beam. The bending strain data can then be input into the displacement equations for calculations of local slopes, deflections, and cross-sectional twist angles for generating the overall deformed shapes of the nonuniform beam. The further-developed displacement theory can also be applied to the deformed shape predictions of nonuniform two-point supported beams, nonuniform panels, nonuniform aircraft wings and fuselages, and so forth. The high degree of accuracy of the further-developed displacement theory for nonuniform beams is validated by finite-element analysis of various nonuniform beam structures. Such structures include tapered tubular beams, depth-tapered unswept and swept wing boxes, width-tapered wing boxes, and double-tapered wing boxes, all under combined bending and torsional loads. The Ko displacement theory, combined with the fiber-optic strain-sensing system, provide a powerful tool for in-flight deformed shape monitoring of unmanned aerospace vehicles by ground-based pilots to maintain safe flights.

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

Bhardwaj, Lakshya; Gaiotto, Davide; Kapustin, Anton

It is possible to describe fermionic phases of matter and spin-topological field theories in 2+1d in terms of bosonic “shadow” theories, which are obtained from the original theory by “gauging fermionic parity”. Furthemore, the fermionic/spin theories are recovered from their shadow by a process of fermionic anyon condensation: gauging a one-form symmetry generated by quasi-particles with fermionic statistics. We apply the formalism to theories which admit gapped boundary conditions. We obtain Turaev-Viro-like and Levin-Wen-like constructions of fermionic phases of matter. Here, we describe the group structure of fermionic SPT phases protected by Z 2f × G. The quaternion group makesmore » a surprise appearance.« less

Novel Approaches to Spectral Properties of Correlated Electron Materials: From Generalized Kohn-Sham Theory to Screened Exchange Dynamical Mean Field Theory

NASA Astrophysics Data System (ADS)

Delange, Pascal; Backes, Steffen; van Roekeghem, Ambroise; Pourovskii, Leonid; Jiang, Hong; Biermann, Silke

2018-04-01

The most intriguing properties of emergent materials are typically consequences of highly correlated quantum states of their electronic degrees of freedom. Describing those materials from first principles remains a challenge for modern condensed matter theory. Here, we review, apply and discuss novel approaches to spectral properties of correlated electron materials, assessing current day predictive capabilities of electronic structure calculations. In particular, we focus on the recent Screened Exchange Dynamical Mean-Field Theory scheme and its relation to generalized Kohn-Sham Theory. These concepts are illustrated on the transition metal pnictide BaCo2As2 and elemental zinc and cadmium.

Applying an Activity Theory Lens to Designing Instruction for Learning about the Structure, Behavior, and Function of a Honeybee System

ERIC Educational Resources Information Center

Danish, Joshua A.

2014-01-01

This article reports on a study in which activity theory was used to design, implement, and analyze a 10-week curriculum unit about how honeybees collect nectar with a particular focus on complex systems concepts. Students (n = 42) in a multi-year kindergarten and 1st-grade classroom participated in this study as part of their 10 regular classroom…

An Introduction to Groups. Abstract Algebra. Modules and Monographs in Undergraduate Mathematics and Its Applications Project. UMAP Unit 461.

ERIC Educational Resources Information Center

Rosenberg, Nancy S.

A group is viewed to be one of the simplest and most interesting algebraic structures. The theory of groups has been applied to many branches of mathematics as well as to crystallography, coding theory, quantum mechanics, and the physics of elementary particles. This material is designed to help the user: 1) understand what groups are and why they…

Superconducting surface impedance under radiofrequency field

DOE PAGES

Xiao, Binping P.; Reece, Charles E.; Kelley, Michael J.

2013-04-26

Based on BCS theory with moving Cooper pairs, the electron states distribution at 0K and the probability of electron occupation with finite temperature have been derived and applied to anomalous skin effect theory to obtain the surface impedance of a superconductor under radiofrequency (RF) field. We present the numerical results for Nb and compare these with representative RF field-dependent effective surface resistance measurements from a 1.5 GHz resonant structure.

The statistical kinematical theory of X-ray diffraction as applied to reciprocal-space mapping

PubMed

Nesterets; Punegov

2000-11-01

The statistical kinematical X-ray diffraction theory is developed to describe reciprocal-space maps (RSMs) from deformed crystals with defects of the structure. The general solutions for coherent and diffuse components of the scattered intensity in reciprocal space are derived. As an example, the explicit expressions for intensity distributions in the case of spherical defects and of a mosaic crystal were obtained. The theory takes into account the instrumental function of the triple-crystal diffractometer and can therefore be used for experimental data analysis.

Applying graph theory to protein structures: an atlas of coiled coils.

PubMed

Heal, Jack W; Bartlett, Gail J; Wood, Christopher W; Thomson, Andrew R; Woolfson, Derek N

2018-05-02

To understand protein structure, folding and function fully and to design proteins de novo reliably, we must learn from natural protein structures that have been characterised experimentally. The number of protein structures available is large and growing exponentially, which makes this task challenging. Indeed, computational resources are becoming increasingly important for classifying and analysing this resource. Here, we use tools from graph theory to define an atlas classification scheme for automatically categorising certain protein substructures. Focusing on the α-helical coiled coils, which are ubiquitous protein-structure and protein-protein interaction motifs, we present a suite of computational resources designed for analysing these assemblies. iSOCKET enables interactive analysis of side-chain packing within proteins to identify coiled coils automatically and with considerable user control. Applying a graph theory-based atlas classification scheme to structures identified by iSOCKET gives the Atlas of Coiled Coils, a fully automated, updated overview of extant coiled coils. The utility of this approach is illustrated with the first formal classification of an emerging subclass of coiled coils called α-helical barrels. Furthermore, in the Atlas, the known coiled-coil universe is presented alongside a partial enumeration of the 'dark matter' of coiled-coil structures; i.e., those coiled-coil architectures that are theoretically possible but have not been observed to date, and thus present defined targets for protein design. iSOCKET is available as part of the open-source GitHub repository associated with this work (https://github.com/woolfson-group/isocket). This repository also contains all the data generated when classifying the protein graphs. The Atlas of Coiled Coils is available at: http://coiledcoils.chm.bris.ac.uk/atlas/app.

Self-interaction correction in multiple scattering theory: application to transition metal oxides

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

Daene, Markus W; Lueders, Martin; Ernst, Arthur

2009-01-01

We apply to transition metal monoxides the self-interaction corrected (SIC) local spin density (LSD) approximation, implemented locally in the multiple scattering theory within the Korringa-Kohn-Rostoker (KKR) band structure method. The calculated electronic structure and in particular magnetic moments and energy gaps are discussed in reference to the earlier SIC results obtained within the LMTO-ASA band structure method, involving transformations between Bloch and Wannier representations to solve the eigenvalue problem and calculate the SIC charge and potential. Since the KKR can be easily extended to treat disordered alloys, by invoking the coherent potential approximation (CPA), in this paper we compare themore » CPA approach and supercell calculations to study the electronic structure of NiO with cation vacancies.« less

Client-controlled case information: a general system theory perspective.

PubMed

Fitch, Dale

2004-07-01

The author proposes a model for client control of case information via the World Wide Web built on principles of general system theory. It incorporates the client into the design, resulting in an information structure that differs from traditional human services information-sharing practices. Referencing general system theory, the concepts of controller and controlled system, as well as entropy and negentropy, are applied to the information flow and autopoietic behavior as they relate to the boundary-maintaining functions of today's organizations. The author's conclusions synthesize general system theory and human services values to lay the foundation for an information-sharing framework for human services in the 21st century.

Entropy in sound and vibration: towards a new paradigm.

PubMed

Le Bot, A

2017-01-01

This paper describes a discussion on the method and the status of a statistical theory of sound and vibration, called statistical energy analysis (SEA). SEA is a simple theory of sound and vibration in elastic structures that applies when the vibrational energy is diffusely distributed. We show that SEA is a thermodynamical theory of sound and vibration, based on a law of exchange of energy analogous to the Clausius principle. We further investigate the notion of entropy in this context and discuss its meaning. We show that entropy is a measure of information lost in the passage from the classical theory of sound and vibration and SEA, its thermodynamical counterpart.

Design of ultra-broadband terahertz polymer waveguide emitters for telecom wavelengths using coupled mode theory.

PubMed

Vallejo, Felipe A; Hayden, L Michael

2013-03-11

We use coupled mode theory, adequately incorporating optical losses, to model ultra-broadband terahertz (THz) waveguide emitters (0.1-20 THz) based on difference frequency generation of femtosecond infrared (IR) optical pulses. We apply the model to a generic, symmetric, five-layer, metal/cladding/core waveguide structure using transfer matrix theory. We provide a design strategy for an efficient ultra-broadband THz emitter and apply it to polymer waveguides with a nonlinear core composed of a poled guest-host electro-optic polymer composite and pumped by a pulsed fiber laser system operating at 1567 nm. The predicted bandwidths are greater than 15 THz and we find a high conversion efficiency of 1.2 × 10(-4) W(-1) by balancing both the modal phase-matching and effective mode attenuation.

New graph polynomials in parametric QED Feynman integrals

NASA Astrophysics Data System (ADS)

Golz, Marcel

2017-10-01

In recent years enormous progress has been made in perturbative quantum field theory by applying methods of algebraic geometry to parametric Feynman integrals for scalar theories. The transition to gauge theories is complicated not only by the fact that their parametric integrand is much larger and more involved. It is, moreover, only implicitly given as the result of certain differential operators applied to the scalar integrand exp(-ΦΓ /ΨΓ) , where ΨΓ and ΦΓ are the Kirchhoff and Symanzik polynomials of the Feynman graph Γ. In the case of quantum electrodynamics we find that the full parametric integrand inherits a rich combinatorial structure from ΨΓ and ΦΓ. In the end, it can be expressed explicitly as a sum over products of new types of graph polynomials which have a combinatoric interpretation via simple cycle subgraphs of Γ.

Applying metapopulation theory to conservation of migratory birds

USGS Publications Warehouse

Esler, Daniel N.

2000-01-01

Metapopulation theory has proven useful for understanding the population structure and dynamics of many species of conservation concern. The metapopulation concept has been applied almost exclusively to nonmigratory species, however, for which subpopulation demographic independence—a requirement for a classically defined metapopulation - is explicitly related to geographic distribution and dispersal probabilities. Defining the degree of demographic independence among subpopulations of migratory animals, and thus the applicability of metapopulation theory as a conceptual framework for understanding population dynamics, is much more difficult. Unlike nonmigratory species, subpopulations of migratory animals cannot be defined as synonymous with geographic areas. Groups of migratory birds that are geographically separate at one part of the annual cycle may occur together at others, but co-occurrence in time and space does not preclude the demographic independence of subpopulations. I suggest that metapopulation theory can be applied to migratory species but that understanding the degree of subpopulation independence may require information about both spatial distribution throughout the annual cycle and behavioral mechanisms that may lead to subpopulation demographic independence. The key for applying metapopulation theory to migratory animals lies in identifying demographically independent subpopulations, even as they move during the annual cycle and potentially co-occur with other subpopulations. Using examples of migratory bird species, I demonstrate that spatial and temporal modes of subpopulation independence can interact with behavioral mechanisms to create demographically independent subpopulations, including cases in which subpopulations are not spatially distinct in some parts of the annual cycle.

Conceptual Problems.

ERIC Educational Resources Information Center

Foley, Walter J.

A systems theory approach to information requirements in education and in evaluation strategies is applied to decision making. Educational decision making itself involves long range planning, system structuring to implement goals, system allocation (cost), and system monitoring which provides the feedback. Each level requires differential…

Distributed control of large space structures

NASA Technical Reports Server (NTRS)

Schaechter, D. B.

1981-01-01

Theoretical developments and the results of laboratory experiments are treated as they apply to active attitude and vibration control, as well as static shape control. Modern control theory was employed throughout as the method for obtaining estimation and control laws.

Projected quasiparticle theory for molecular electronic structure

NASA Astrophysics Data System (ADS)

Scuseria, Gustavo E.; Jiménez-Hoyos, Carlos A.; Henderson, Thomas M.; Samanta, Kousik; Ellis, Jason K.

2011-09-01

We derive and implement symmetry-projected Hartree-Fock-Bogoliubov (HFB) equations and apply them to the molecular electronic structure problem. All symmetries (particle number, spin, spatial, and complex conjugation) are deliberately broken and restored in a self-consistent variation-after-projection approach. We show that the resulting method yields a comprehensive black-box treatment of static correlations with effective one-electron (mean-field) computational cost. The ensuing wave function is of multireference character and permeates the entire Hilbert space of the problem. The energy expression is different from regular HFB theory but remains a functional of an independent quasiparticle density matrix. All reduced density matrices are expressible as an integration of transition density matrices over a gauge grid. We present several proof-of-principle examples demonstrating the compelling power of projected quasiparticle theory for quantum chemistry.

[Scale Relativity Theory in living beings morphogenesis: fratal, determinism and chance].

PubMed

Chaline, J

2012-10-01

The Scale Relativity Theory has many biological applications from linear to non-linear and, from classical mechanics to quantum mechanics. Self-similar laws have been used as model for the description of a huge number of biological systems. Theses laws may explain the origin of basal life structures. Log-periodic behaviors of acceleration or deceleration can be applied to branching macroevolution, to the time sequences of major evolutionary leaps. The existence of such a law does not mean that the role of chance in evolution is reduced, but instead that randomness and contingency may occur within a framework which may itself be structured in a partly statistical way. The scale relativity theory can open new perspectives in evolution. Copyright © 2012 Elsevier Masson SAS. All rights reserved.

Spin Hall Effect in Doped Semiconductor Structures

NASA Astrophysics Data System (ADS)

Tse, Wang-Kong; Das Sarma, S.

2006-02-01

In this Letter we present a microscopic theory of the extrinsic spin Hall effect based on the diagrammatic perturbation theory. Side-jump and skew-scattering contributions are explicitly taken into account to calculate the spin Hall conductivity, and we show that their effects scale as σxySJ/σxySS˜(ℏ/τ)/ɛF, with τ being the transport relaxation time. Motivated by recent experimental work we apply our theory to n- and p-doped 3D and 2D GaAs structures, obtaining σs/σc˜10-3-10-4, where σs(c) is the spin Hall (charge) conductivity, which is in reasonable agreement with the recent experimental results of Kato et al. [Science 306, 1910 (2004)]SCIEAS0036-807510.1126/science.1105514 in n-doped 3D GaAs system.

Multi-Level Discourse Analysis in a Physics Teaching Methods Course from the Psychological Perspective of Activity Theory

ERIC Educational Resources Information Center

Vieira, Rodrigo Drumond; Kelly, Gregory J.

2014-01-01

In this paper, we present and apply a multi-level method for discourse analysis in science classrooms. This method is based on the structure of human activity (activity, actions, and operations) and it was applied to study a pre-service physics teacher methods course. We argue that such an approach, based on a cultural psychological perspective,…

Error analysis and correction of discrete solutions from finite element codes

NASA Technical Reports Server (NTRS)

Thurston, G. A.; Stein, P. A.; Knight, N. F., Jr.; Reissner, J. E.

1984-01-01

Many structures are an assembly of individual shell components. Therefore, results for stresses and deflections from finite element solutions for each shell component should agree with the equations of shell theory. This paper examines the problem of applying shell theory to the error analysis and the correction of finite element results. The general approach to error analysis and correction is discussed first. Relaxation methods are suggested as one approach to correcting finite element results for all or parts of shell structures. Next, the problem of error analysis of plate structures is examined in more detail. The method of successive approximations is adapted to take discrete finite element solutions and to generate continuous approximate solutions for postbuckled plates. Preliminary numerical results are included.

Wing Shape Sensing from Measured Strain

NASA Technical Reports Server (NTRS)

Pak, Chan-Gi

2015-01-01

A new two step theory is investigated for predicting the deflection and slope of an entire structure using strain measurements at discrete locations. In the first step, a measured strain is fitted using a piecewise least squares curve fitting method together with the cubic spline technique. These fitted strains are integrated twice to obtain deflection data along the fibers. In the second step, computed deflection along the fibers are combined with a finite element model of the structure in order to extrapolate the deflection and slope of the entire structure through the use of System Equivalent Reduction and Expansion Process. The theory is first validated on a computational model, a cantilevered rectangular wing. It is then applied to test data from a cantilevered swept wing model.

Valence-bond theory of compounds of transition metals

PubMed Central

Pauling, Linus

1975-01-01

An equation relating the strength (bondforming power) of an spd hybrid bond orbital to the angles it makes with other bond orbitals is formulated and applied in the discussion of the structures of transition-metal carbonyls and other substances by the valence-bond method. The rather simple theory gives results that agree well with those obtained by the complicated and laborious calculation of sets of orthogonal hybrid bond orbitals with maximum strength. PMID:16592279

Correlation, evaluation, and extension of linearized theories for tire motion and wheel shimmy

NASA Technical Reports Server (NTRS)

Smiley, Robert F

1957-01-01

An evaluation is made of the existing theories of a linearized tire motion and wheel shimmy. It is demonstrated that most of the previously published theories represent varying degrees of approximation to a summary theory developed in this report which is a minor modification of the basic theory of Von Schlippe and Dietrich. In most cases where strong differences exist between the previously published theories and summary theory, the previously published theories are shown to possess certain deficiencies. A series of systematic approximations to the summary theory is developed for the treatment of problems too simple to merit the use of the complete summary theory, and procedures are discussed for applying the summary theory and its systematic approximations to the shimmy of more complex landing-gear structures than have previously been considered. Comparisons of the existing experimental data with the predictions of the summary theory and the systematic approximations provide a fair substantiation of the more detailed approximate theories.

Finite element study of scaffold architecture design and culture conditions for tissue engineering.

PubMed

Olivares, Andy L; Marsal, Elia; Planell, Josep A; Lacroix, Damien

2009-10-01

Tissue engineering scaffolds provide temporary mechanical support for tissue regeneration and transfer global mechanical load to mechanical stimuli to cells through its architecture. In this study the interactions between scaffold pore morphology, mechanical stimuli developed at the cell microscopic level, and culture conditions applied at the macroscopic scale are studied on two regular scaffold structures. Gyroid and hexagonal scaffolds of 55% and 70% porosity were modeled in a finite element analysis and were submitted to an inlet fluid flow or compressive strain. A mechanoregulation theory based on scaffold shear strain and fluid shear stress was applied for determining the influence of each structures on the mechanical stimuli on initial conditions. Results indicate that the distribution of shear stress induced by fluid perfusion is very dependent on pore distribution within the scaffold. Gyroid architectures provide a better accessibility of the fluid than hexagonal structures. Based on the mechanoregulation theory, the differentiation process in these structures was more sensitive to inlet fluid flow than axial strain of the scaffold. This study provides a computational approach to determine the mechanical stimuli at the cellular level when cells are cultured in a bioreactor and to relate mechanical stimuli with cell differentiation.

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

PubMed Central

2014-01-01

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

Experimental and Theoretical Results in Output Trajectory Redesign for Flexible Structures

NASA Technical Reports Server (NTRS)

Dewey, J. S.; Leang, K.; Devasia, S.

1998-01-01

In this paper we study the optimal redesign of output trajectories for linear invertible systems. This is particularly important for tracking control of flexible structures because the input-state trajectores, that achieve tracking of the required output may cause excessive vibrations in the structure. We pose and solve this problem, in the context of linear systems, as the minimization of a quadratic cost function. The theory is developed and applied to the output tracking of a flexible structure and experimental results are presented.

Synthesis of the advances in and application of fractal characteristic of traffic flow.

DOT National Transportation Integrated Search

2013-07-01

Fractals are irregular geometric objects that exhibit finite details at all scales, and once magnified, their basic structures remain the same regardless of the scale of magnification. Fractal theory has been successfully applied in different fields ...

Synthesis of the advance in and application of fractal characteristics of traffic flow.

DOT National Transportation Integrated Search

2013-07-01

Fractals are irregular geometric objects that exhibit finite details at all scales, and once magnified, their basic structures remain the same regardless of the scale of magnification. Fractal theory has been successfully applied in different fields ...

Ab Initio Calculations Applied to Problems in Metal Ion Chemistry

NASA Technical Reports Server (NTRS)

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

1994-01-01

Electronic structure calculations can provide accurate spectroscopic data (such as molecular structures) vibrational frequencies, binding energies, etc.) that have been very useful in explaining trends in experimental data and in identifying incorrect experimental measurements. In addition, ab initio calculations. have given considerable insight into the many interactions that make the chemistry of transition metal systems so diverse. In this review we focus on cases where calculations and experiment have been used to solve interesting chemical problems involving metal ions. The examples include cases where theory was used to differentiate between disparate experimental values and cases where theory was used to explain unexpected experimental results.

Dynamics of polymers: A mean-field theory

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

Fredrickson, Glenn H.; Materials Research Laboratory, University of California, Santa Barbara, California 93106; Department of Materials, University of California, Santa Barbara, California 93106

2014-02-28

We derive a general mean-field theory of inhomogeneous polymer dynamics; a theory whose form has been speculated and widely applied, but not heretofore derived. Our approach involves a functional integral representation of a Martin-Siggia-Rose (MSR) type description of the exact many-chain dynamics. A saddle point approximation to the generating functional, involving conditions where the MSR action is stationary with respect to a collective density field ρ and a conjugate MSR response field ϕ, produces the desired dynamical mean-field theory. Besides clarifying the proper structure of mean-field theory out of equilibrium, our results have implications for numerical studies of polymer dynamicsmore » involving hybrid particle-field simulation techniques such as the single-chain in mean-field method.« less

An improved thermodynamic perturbation theory for Mercedes-Benz water

NASA Astrophysics Data System (ADS)

Urbic, T.; Vlachy, V.; Kalyuzhnyi, Yu. V.; Dill, K. A.

2007-11-01

We previously applied Wertheim's thermodynamic perturbation theory for associative fluids to the simple Mercedes-Benz model of water. We found that the theory reproduced well the physical properties of hot water, but was less successful in capturing the more structured hydrogen bonding that occurs in cold water. Here, we propose an improved version of the thermodynamic perturbation theory in which the effective density of the reference system is calculated self-consistently. The new theory is a significant improvement, giving good agreement with Monte Carlo simulations of the model, and predicting key anomalies of cold water, such as minima in the molar volume and large heat capacity, in addition to giving good agreement with the isothermal compressibility and thermal expansion coefficient.

An improved thermodynamic perturbation theory for Mercedes-Benz water.

PubMed

Urbic, T; Vlachy, V; Kalyuzhnyi, Yu V; Dill, K A

2007-11-07

We previously applied Wertheim's thermodynamic perturbation theory for associative fluids to the simple Mercedes-Benz model of water. We found that the theory reproduced well the physical properties of hot water, but was less successful in capturing the more structured hydrogen bonding that occurs in cold water. Here, we propose an improved version of the thermodynamic perturbation theory in which the effective density of the reference system is calculated self-consistently. The new theory is a significant improvement, giving good agreement with Monte Carlo simulations of the model, and predicting key anomalies of cold water, such as minima in the molar volume and large heat capacity, in addition to giving good agreement with the isothermal compressibility and thermal expansion coefficient.

A RECIPE TO PROBE ALTERNATIVE THEORIES OF GRAVITATION VIA N-BODY NUMERICAL SIMULATIONS. I. SPIRAL GALAXIES

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

Brandao, C. S. S.; De Araujo, J. C. N., E-mail: claudiosoriano.uesc@gmail.com, E-mail: jcarlos.dearaujo@inpe.br

2012-05-01

A way to probe alternative theories of gravitation is to study if they could account for the structures of the universe. We therefore modified the well-known Gadget-2 code to probe alternative theories of gravitation through galactic dynamics. As an application, we simulate the evolution of spiral galaxies to probe alternative theories of gravitation whose weak field limits have a Yukawa-like gravitational potential. These simulations show that galactic dynamics can be used to constrain the parameters associated with alternative theories of gravitation. It is worth stressing that the recipe given in this study can be applied to any other alternative theorymore » of gravitation in which the superposition principle is valid.« less

Verification of the Velocity Structure in Mexico Basin Using the H/V Spectral Ratio of Microtremors

NASA Astrophysics Data System (ADS)

Matsushima, S.; Sanchez-Sesma, F. J.; Nagashima, F.; Kawase, H.

2011-12-01

The authors have been proposing a new theory to calculate the Horizontal-to-Vertical (H/V) spectral ratio of microtremors assuming that the wave field is completely diffuse and have attempted to apply the theory to understand the observed microtremor data. It is anticipated that this new theory can be applied to detect the subsurface velocity structure beneath urban area. Precise information about the subsurface velocity structure is essential for predicting strong ground motion accurately, which is necessary to mitigate seismic disaster. Mexico basin, who witnessed severe damage during the 1985 Michoacán Earthquake (Ms 8.1) several hundreds of kilometers away from the source region, is an interesting location in which the reassessment of soil properties is urgent. Because of subsidence, having improved estimates of properties is mandatory. In order to estimate possible changes in the velocity structure in the Mexico basin, we measured microtremors at strong motion observation sites in Mexico City. At those sites, information about the velocity profiles are available. Using the obtained data, we derive observed H/V spectral ratio and compare it with the theoretical H/V spectral ratio to gauge the goodness of our new theory. First we compared the observed H/V spectral ratios for five stations to see the diverse characteristics of this measurement. Then we compared the observed H/V spectral ratios with the theoretical predictions to confirm our theory. We assumed the velocity model of previous surveys at the strong motions observation sites as an initial model. We were able to closely fit both the peak frequency and amplitude of the observed H/V spectral ratio, by the theoretical H/V spectral ratio calculated by our new method. These results show that we have a good initial model. However, the theoretical estimates need some improvement to perfectly fit the observed H/V spectral ratio. This may be an indication that the initial model needs some adjustments. We explore how to improve the velocity model based on the comparison between observations and theory.

Systems theory as a framework for examining a college campus-based support program for the former foster youth.

PubMed

Schelbe, Lisa; Randolph, Karen A; Yelick, Anna; Cheatham, Leah P; Groton, Danielle B

2018-01-01

Increased attention to former foster youth pursuing post-secondary education has resulted in the creation of college campus based support programs to address their need. However, limited empirical evidence and theoretical knowledge exist about these programs. This study seeks to describe the application of systems theory as a framework for examining a college campus based support program for former foster youth. In-depth semi-structured interviews were conducted with 32 program stakeholders including students, mentors, collaborative members, and independent living program staff. Using qualitative data analysis software, holistic coding techniques were employed to analyze interview transcripts. Then applying principles of extended case method using systems theory, data were analyzed. Findings suggest systems theory serves as a framework for understanding the functioning of a college campus based support program. The theory's concepts help delineate program components and roles of stakeholders; outline boundaries between and interactions among stakeholders; and identify program strengths and weakness. Systems theory plays an important role in identifying intervention components and providing a structure through which to identify and understand program elements as a part of the planning process. This study highlights the utility of systems theory as a framework for program planning and evaluation.

Scale-free crystallization of two-dimensional complex plasmas: Domain analysis using Minkowski tensors

NASA Astrophysics Data System (ADS)

Böbel, A.; Knapek, C. A.; Räth, C.

2018-05-01

Experiments of the recrystallization processes in two-dimensional complex plasmas are analyzed to rigorously test a recently developed scale-free phase transition theory. The "fractal-domain-structure" (FDS) theory is based on the kinetic theory of Frenkel. It assumes the formation of homogeneous domains, separated by defect lines, during crystallization and a fractal relationship between domain area and boundary length. For the defect number fraction and system energy a scale-free power-law relation is predicted. The long-range scaling behavior of the bond-order correlation function shows clearly that the complex plasma phase transitions are not of the Kosterlitz, Thouless, Halperin, Nelson, and Young type. Previous preliminary results obtained by counting the number of dislocations and applying a bond-order metric for structural analysis are reproduced. These findings are supplemented by extending the use of the bond-order metric to measure the defect number fraction and furthermore applying state-of-the-art analysis methods, allowing a systematic testing of the FDS theory with unprecedented scrutiny: A morphological analysis of lattice structure is performed via Minkowski tensor methods. Minkowski tensors form a complete family of additive, motion covariant and continuous morphological measures that are sensitive to nonlinear properties. The FDS theory is rigorously confirmed and predictions of the theory are reproduced extremely well. The predicted scale-free power-law relation between defect fraction number and system energy is verified for one more order of magnitude at high energies compared to the inherently discontinuous bond-order metric. It is found that the fractal relation between crystalline domain area and circumference is independent of the experiment, the particular Minkowski tensor method, and the particular choice of parameters. Thus, the fractal relationship seems to be inherent to two-dimensional phase transitions in complex plasmas. Minkowski tensor analysis turns out to be a powerful tool for investigations of crystallization processes. It is capable of revealing nonlinear local topological properties, however, still provides easily interpretable results founded on a solid mathematical framework.

First principle study of transport properties of a graphene nano structure

NASA Astrophysics Data System (ADS)

Kumar, Naveen; Sharma, Munish; Sharma, Jyoti Dhar; Ahluwalia, P. K.

2013-06-01

The first principle quantum transport calculations have been performed for graphene using Tran SIESTA which calculates transport properties using nonequilibrium Green's function method in conjunction with density-functional theory. Transmission functions, electron density of states and current-voltage characteristic have been calculated for a graphene nano structure using graphene electrodes. Transmission function, density of states and projected density of states show a discrete band structure which varies with applied voltage. The value of current is very low for applied voltage between 0.0 V to 5.0 V and lies in the range of pico ampere. In the V-I characteristic current shows non-linear fluctuating pattern with increase in voltage.

Long-Time Asymptotics of a Box-Type Initial Condition in a Viscous Fluid Conduit

NASA Astrophysics Data System (ADS)

Franco, Nevil; Webb, Emily; Maiden, Michelle; Hoefer, Mark; El, Gennady

2017-11-01

The initial value problem for a localized hump disturbance is fundamental to dispersive nonlinear waves, beginning with studies of the celebrated, completely integrable Korteweg-de Vries equation. However, understanding responses to similar disturbances in many realistic dispersive wave systems is more complicated because they lack the mathematical property of complete integrability. This project applies Whitham nonlinear wave modulation theory to estimate how a viscous fluid conduit evolves this classic initial value problem. Comparisons between theory, numerical simulations, and experiments are presented. The conduit system consists of a viscous fluid column (glycerol) and a diluted, dyed version of the same fluid introduced to the column through a nozzle at the bottom. Steady injection and the buoyancy of the injected fluid leads to the eventual formation of a stable fluid conduit. Within this structure, a one hump disturbance is introduced and is observed to break up into a quantifiable number of solitons. This structure's experimental evolution is to Whitham theory and numerical simulations of a long-wave interfacial model equation. The method presented is general and can be applied to other dispersive nonlinear wave systems. Please email me, as I am the submitter.

Development of molecular closures for the reference interaction site model theory with application to square-well and Lennard-Jones homonuclear diatomics.

PubMed

Munaò, Gianmarco; Costa, Dino; Caccamo, Carlo

2016-10-19

Inspired by significant improvements obtained for the performances of the polymer reference interaction site model (PRISM) theory of the fluid phase when coupled with 'molecular closures' (Schweizer and Yethiraj 1993 J. Chem. Phys. 98 9053), we exploit a matrix generalization of this concept, suitable for the more general RISM framework. We report a preliminary test of the formalism, as applied to prototype square-well homonuclear diatomics. As for the structure, comparison with Monte Carlo shows that molecular closures are slightly more predictive than their 'atomic' counterparts, and thermodynamic properties are equally accurate. We also devise an application of molecular closures to models interacting via continuous, soft-core potentials, by using well established prescriptions in liquid state perturbation theories. In the case of Lennard-Jones dimers, our scheme definitely improves over the atomic one, providing semi-quantitative structural results, and quite good estimates of internal energy, pressure and phase coexistence. Our finding paves the way to a systematic employment of molecular closures within the RISM framework to be applied to more complex systems, such as molecules constituted by several non-equivalent interaction sites.

How Could Nurse Researchers Apply Theory to Generate Knowledge More Efficiently?

PubMed

Lor, Maichou; Backonja, Uba; Lauver, Diane R

2017-09-01

Reports of nursing research often do not provide adequate information about whether, and how, researchers applied theory when conducting their studies. Unfortunately, the lack of adequate application and explication of theory in research impedes development of knowledge to guide nursing practice. To clarify and exemplify how to apply theory in research. First we describe how researchers can apply theory in phases of research. Then we share examples of how three research teams applied one theory to these phases of research in three different studies of preventive behaviors. Nurse researchers can review and refine ways in which they apply theory in guiding research and writing publications. Scholars can appreciate how one theory can guide researchers in building knowledge about a given condition such as preventive behaviors. Clinicians and researchers can collaborate to apply and examine the usefulness of theory. If nurses had improved understanding of theory-guided research, they could better assess, select, and apply theory-guided interventions in their practices. © 2017 Sigma Theta Tau International.

Nonassociative differential geometry and gravity with non-geometric fluxes

NASA Astrophysics Data System (ADS)

Aschieri, Paolo; Ćirić, Marija Dimitrijević; Szabo, Richard J.

2018-02-01

We systematically develop the metric aspects of nonassociative differential geometry tailored to the parabolic phase space model of constant locally non-geometric closed string vacua, and use it to construct preliminary steps towards a nonassociative theory of gravity on spacetime. We obtain explicit expressions for the torsion, curvature, Ricci tensor and Levi-Civita connection in nonassociative Riemannian geometry on phase space, and write down Einstein field equations. We apply this formalism to construct R-flux corrections to the Ricci tensor on spacetime, and comment on the potential implications of these structures in non-geometric string theory and double field theory.

On the characteristics of optimal transfers

NASA Astrophysics Data System (ADS)

Iorfida, Elisabetta

In the past 50 years the scientists have been developing and analysing methods and new algorithms that optimise an interplanetary trajectory according to one or more objectives. Within this field, in 1963 Lawden derived, from Pontryagin's minimum principle, the so-called `primer vector theory'. The main goal of this thesis is to develop a theoretical understanding of Lawden's theory, getting an insight into the optimality of a trajectory when mid-course corrections need to be applied. The novelty of the research is represented by a different approach to the primer vector theory, which simplifies the structure of the problem.

Nonlocal theory of beam-driven electron Bernstein waves

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

Jain, V.K.; Tripathi, V.K.

A nonlocal theory of electron Bernstein waves driven unstable by an axial beam (V = V/sub b/z-italic-circumflex) of finite width has been developed. Assuming a parabolic density profile for the background plasma, an equation describing the mode structure of the wave is obtained in the slab geometry. The eigenfunctions are found to be Hermite polynomials. Expressions for the growth rates of the instabilities caused by Cerenkov and slow cyclotron interactions are derived. The results of the theory are applied to explain some of the experimental observations of Jain and Christiansen (Phys. Lett. A 82, 127 (1981)).

Introduction to Command, Control and Communications (C3) Through Comparative Case Analysis

DTIC Science & Technology

1990-03-01

enhancing the process of learning from experience. Case study allows the student to apply concepts , theories, and techniques to an actual incident within...part of the thesis describes selected principles and concepts of 33 related to cormruication management, interoperability, command structure and...The solutions to the cases require applying the principles and concepts presented in the first rart. The four cases are: (1) the Iran hostage rescue

Coherent states, quantum gravity, and the Born-Oppenheimer approximation. I. General considerations

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

Stottmeister, Alexander, E-mail: alexander.stottmeister@gravity.fau.de; Thiemann, Thomas, E-mail: thomas.thiemann@gravity.fau.de

2016-06-15

This article, as the first of three, aims at establishing the (time-dependent) Born-Oppenheimer approximation, in the sense of space adiabatic perturbation theory, for quantum systems constructed by techniques of the loop quantum gravity framework, especially the canonical formulation of the latter. The analysis presented here fits into a rather general framework and offers a solution to the problem of applying the usual Born-Oppenheimer ansatz for molecular (or structurally analogous) systems to more general quantum systems (e.g., spin-orbit models) by means of space adiabatic perturbation theory. The proposed solution is applied to a simple, finite dimensional model of interacting spin systems,more » which serves as a non-trivial, minimal model of the aforesaid problem. Furthermore, it is explained how the content of this article and its companion affect the possible extraction of quantum field theory on curved spacetime from loop quantum gravity (including matter fields).« less

Double field theory at order α'

NASA Astrophysics Data System (ADS)

Hohm, Olaf; Zwiebach, Barton

2014-11-01

We investigate α' corrections of bosonic strings in the framework of double field theory. The previously introduced "doubled α'-geometry" gives α'-deformed gauge transformations arising in the Green-Schwarz anomaly cancellation mechanism but does not apply to bosonic strings. These require a different deformation of the duality-covariantized Courant bracket which governs the gauge structure. This is revealed by examining the α' corrections in the gauge algebra of closed string field theory. We construct a four-derivative cubic double field theory action invariant under the deformed gauge transformations, giving a first glimpse of the gauge principle underlying bosonic string α' corrections. The usual metric and b-field are related to the duality covariant fields by non-covariant field redefinitions.

Entropy in sound and vibration: towards a new paradigm

PubMed Central

2017-01-01

This paper describes a discussion on the method and the status of a statistical theory of sound and vibration, called statistical energy analysis (SEA). SEA is a simple theory of sound and vibration in elastic structures that applies when the vibrational energy is diffusely distributed. We show that SEA is a thermodynamical theory of sound and vibration, based on a law of exchange of energy analogous to the Clausius principle. We further investigate the notion of entropy in this context and discuss its meaning. We show that entropy is a measure of information lost in the passage from the classical theory of sound and vibration and SEA, its thermodynamical counterpart. PMID:28265190

System theory as applied differential geometry. [linear system

NASA Technical Reports Server (NTRS)

Hermann, R.

1979-01-01

The invariants of input-output systems under the action of the feedback group was examined. The approach used the theory of Lie groups and concepts of modern differential geometry, and illustrated how the latter provides a basis for the discussion of the analytic structure of systems. Finite dimensional linear systems in a single independent variable are considered. Lessons of more general situations (e.g., distributed parameter and multidimensional systems) which are increasingly encountered as technology advances are presented.

Application of renormalization group theory to the large-eddy simulation of transitional boundary layers

NASA Technical Reports Server (NTRS)

Piomelli, Ugo; Zang, Thomas A.; Speziale, Charles G.; Lund, Thomas S.

1990-01-01

An eddy viscosity model based on the renormalization group theory of Yakhot and Orszag (1986) is applied to the large-eddy simulation of transition in a flat-plate boundary layer. The simulation predicts with satisfactory accuracy the mean velocity and Reynolds stress profiles, as well as the development of the important scales of motion. The evolution of the structures characteristic of the nonlinear stages of transition is also predicted reasonably well.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Spin Hall Effect in Doped Semiconductor Structures

NASA Astrophysics Data System (ADS)

Tse, Wang-Kong; Das Sarma, Sankar

2006-03-01

We present a microscopic theory of the extrinsic spin Hall effect based on the diagrammatic perturbation theory. Side-jump (SJ) and skew-scattering (SS) contributions are explicitly taken into account to calculate the spin Hall conductivity, and we show their effects scale as σxy^SJ/σxy^SS ˜(/τ)/ɛF, where τ being the transport relaxation time. Motivated by recent experimental work we apply our theory to n-doped and p-doped 3D and 2D GaAs structures, obtaining analytical formulas for the SJ and SS contributions. Moreover, the ratio of the spin Hall conductivity to longitudinal conductivity is found as σs/σc˜10-3-10-4, in reasonable agreement with the recent experimental results of Kato et al. [Science 306, 1910 (2004)] in n-doped 3D GaAs system.

Optical modeling of fiber organic photovoltaic structures using a transmission line method.

PubMed

Moshonas, N; Stathopoulos, N A; O'Connor, B T; Bedeloglu, A Celik; Savaidis, S P; Vasiliadis, S

2017-12-01

An optical model has been developed and evaluated for the calculation of the external quantum efficiency of cylindrical fiber photovoltaic structures. The model is based on the transmission line theory and has been applied on single and bulk heterojunction fiber-photovoltaic cells. Using this model, optimum design characteristics have been proposed for both configurations, and comparison with experimental results has been assessed.

Self-stress control of real civil engineering tensegrity structures

NASA Astrophysics Data System (ADS)

Kłosowska, Joanna; Obara, Paulina; Gilewski, Wojciech

2018-01-01

The paper introduces the impact of the self-stress level on the behaviour of the tensegrity truss structures. Displacements for real civil engineering tensegrity structures are analysed. Full-scale tensegrity tower Warnow Tower which consists of six Simplex trusses is considered in this paper. Three models consisting of one, two and six modules are analysed. The analysis is performed by the second and third order theory. Mathematica software and Sofistik programme is applied to the analysis.

Extensions and evaluations of a general quantitative theory of forest structure and dynamics

PubMed Central

Enquist, Brian J.; West, Geoffrey B.; Brown, James H.

2009-01-01

Here, we present the second part of a quantitative theory for the structure and dynamics of forests under demographic and resource steady state. The theory is based on individual-level allometric scaling relations for how trees use resources, fill space, and grow. These scale up to determine emergent properties of diverse forests, including size–frequency distributions, spacing relations, canopy configurations, mortality rates, population dynamics, successional dynamics, and resource flux rates. The theory uniquely makes quantitative predictions for both stand-level scaling exponents and normalizations. We evaluate these predictions by compiling and analyzing macroecological datasets from several tropical forests. The close match between theoretical predictions and data suggests that forests are organized by a set of very general scaling rules. Our mechanistic theory is based on allometric scaling relations, is complementary to “demographic theory,” but is fundamentally different in approach. It provides a quantitative baseline for understanding deviations from predictions due to other factors, including disturbance, variation in branching architecture, asymmetric competition, resource limitation, and other sources of mortality, which are not included in the deliberately simplified theory. The theory should apply to a wide range of forests despite large differences in abiotic environment, species diversity, and taxonomic and functional composition. PMID:19363161

The good-enough science-and-politics of anthropological collaboration with evidence-based clinical research: Four ethnographic case studies.

PubMed

Messac, Luke; Ciccarone, Dan; Draine, Jeffrey; Bourgois, Philippe

2013-12-01

The apolitical legitimacy of "evidence-based medicine" offers a practical means for ethnography and critical social-science-and-humanities-of-health theory to transfer survival resources to structurally vulnerable populations and to engage policy and services audiences with urgent political problems imposed on the urban poor in the United States that harm health: most notably, homelessness, hyperincarceration, social service cut-backs and the War on Drugs. We present four examples of collaborations between ethnography and clinical research projects that demonstrate the potentials and limits of promoting institutional reform, political debate and action through distinct strategies of cross-methodological dialog with epidemiological and clinical services research. Ethnographic methods alone, however, are simply a technocratic add-on. They must be informed by critical theory to contribute effectively and transformatively to applied health initiatives. Ironically, technocratic, neoliberal logics of cost-effectiveness can sometimes render radical service and policy reform initiatives institutionally credible, fundable and capable of generating wider political support, even though the rhetoric of economic efficacy is a double-edged sword. To extend the impact of ethnography and interdisciplinary theories of political-economic, cultural and disciplinary power relations into applied clinical and public health research, anthropologists - and their fellow travelers - have to be able to strategically, but respectfully learn to see through the positivist logics of clinical services research as well as epidemiological epistemology in order to help clinicians achieve - and extend - their applied priorities. In retrospect, these four very differently-structured collaborations suggest the potential for "good-enough" humble scientific and political strategies to work for, and with, structurally vulnerable populations in a punitive neoliberal era of rising social inequality, cutbacks of survival services, and hyperincarceration of the poor. Copyright © 2013 Elsevier Ltd. All rights reserved.

The Good-Enough Science-and-Politics of Anthropological Collaboration with Evidence-Based Clinical Research: Four Ethnographic Case Studies

PubMed Central

Messac, Luke; Ciccarone, Dan; Draine, Jeffrey; Bourgois, Philippe

2013-01-01

The apolitical legitimacy of "evidence-based medicine" offers a practical means for ethnography and critical social-science-and-humanities-of-health theory to transfer survival resources to structurally vulnerable populations and to engage policy and services audiences with urgent political problems imposed on the urban poor in the United States that harm health: most notably, homelessness, hyperincarceration, social service cut-backs and the War on Drugs. We present four examples of collaborations between ethnography and clinical research projects that demonstrate the potentials and limits of promoting institutional reform, political debate and action through distinct strategies of cross-methodological dialogue with epidemiological and clinical services research. Ethnographic methods alone, however, are simply a technocratic add-on. They must be informed by critical theory to contribute effectively and transformatively to applied health initiatives. Ironically, technocratic, neoliberal logics of cost-effectiveness can sometimes render radical service and policy reform initiatives institutionally credible, fundable and capable of generating wider political support, even though the rhetoric of economic efficacy is a double-edged sword. To extend the impact of ethnography and interdisciplinary theories of political-economic, cultural and disciplinary power relations into applied clinical and public health research, anthropologists--and their fellow travelers--have to be able to strategically, but respectfully learn to see through the positivist logics of clinical services research as well as epidemiological epistemology in order to help clinicians achieve--and extend--their applied priorities. In retrospect, these four very differently-structured collaborations suggest the potential for "good-enough” humble scientific and political strategies to work for, and with, structurally vulnerable populations in a punitive neoliberal era of rising social inequality, cutbacks of survival services, and hyperincarceration of the poor. PMID:23664236

Structure and vibrational spectra of low-energy silicon clusters

NASA Astrophysics Data System (ADS)

Sieck, A.; Porezag, D.; Frauenheim, Th.; Pederson, M. R.; Jackson, K.

1997-12-01

We have identified low-energy structures of silicon clusters with 9 to 14 atoms using a nonorthogonal tight-binding method (TB) based on density-functional theory (DF). We have further investigated the resulting structures with an accurate all-electron first-principles technique. The results for cohesive energies, cluster geometries, and highest occupied to lowest unoccupied molecular orbital (HOMO-LUMO) gaps show an overall good agreement between DF-TB and self-consistent-field (SCF) DF theory. For Si9 and Si14, we have found equilibrium structures, whereas for Si11, Si12, and Si13, we present clusters with energies close to that of the corresponding ground-state structure recently proposed in the literature. The bonding scheme of clusters in this size range is different from the bulk tetrahedral symmetry. The most stable structures, characterized by low energies and large HOMO-LUMO gaps, have similar common subunits. To aid in their experimental identification, we have computed the full vibrational spectra of the structures, along with the Raman activities, IR intensities, and static polarizabilities, using SCF-DF theory within the local-density approximation (LDA). This method has already been successfully applied to the determination of Raman and IR spectra of silicon clusters with 3-8, 10, 13, 20, and 21 atoms.

Wave models for turbulent free shear flows

NASA Technical Reports Server (NTRS)

Liou, W. W.; Morris, P. J.

1991-01-01

New predictive closure models for turbulent free shear flows are presented. They are based on an instability wave description of the dominant large scale structures in these flows using a quasi-linear theory. Three model were developed to study the structural dynamics of turbulent motions of different scales in free shear flows. The local characteristics of the large scale motions are described using linear theory. Their amplitude is determined from an energy integral analysis. The models were applied to the study of an incompressible free mixing layer. In all cases, predictions are made for the development of the mean flow field. In the last model, predictions of the time dependent motion of the large scale structure of the mixing region are made. The predictions show good agreement with experimental observations.

A New Similarity theory for Strongly Unstable Atmospheric Surface Layer

NASA Astrophysics Data System (ADS)

Ji, Yong; She, Zhen-Su

2017-11-01

We apply the structural ensemble dynamics (SED) theory to analyze mean velocity and streamwise turbulence intensity distribution in unstable atmospheric surface layer (ASL). The turbulent kinetic energy balance equation in ASL asserts that above a critical height zL, the buoyancy production cannot be neglected. The SED theory predicts that a stress length function displays a generalized scaling law from z to z 4 / 3. The zL derived from observational data show a two-regime form with Obukhov length L , including a linear dependence for moderate heat flux and a constant regime for large heat flux, extending the Monin-Obukhov similarity theory which is only valid for large | L | . This two-regime description is further extended to model turbulent intensity, with a new similarity coordinate Lz such that the observational data collapse for all L. Finally, we propose a phase diagram for characterizing different ASL flow regimes, and the corresponding flow structures are discussed. In summary, a new similarity theory for unstable atmosphere is constructed, and validated by observational data of the mean velocity and streamwise turbulence intensity distribution for all heat flux regimes.

Molecular Dynamical Simulation of Thermal Conductivity in Amorphous Structures

NASA Astrophysics Data System (ADS)

Deangelis, Freddy; Henry, Asegun

While current descriptions of thermal transport exists for well-ordered materials such as crystal latices, new methods are needed to describe thermal transport in disordered materials, including amorphous solids. Because such structures lack periodic, long-range order, a group velocity cannot be defined for thermal modes of vibration; thus, the phonon gas model cannot be applied to these structures. Instead, a new framework must be applied to analyze such materials. Using a combination of density functional theory and molecular dynamics, we have analyzed thermal transport in amorphous structures, chiefly amorphous germanium. The analysis allows us to categorize vibrational modes as propagons, diffusons, or locons, and to determine how they contribute to thermal conductivity within amorphous structures. This method is also being extended to other disordered structures such as amorphous polymers. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-1148903.

Molecular Modeling of Lipid Aggregates: Theory and Application

NASA Astrophysics Data System (ADS)

Fenner, Joel Stewart

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

The limits of behaviour change theory: condom use and contexts of HIV risk in the Kolkata sex industry.

PubMed

Evans, Catrin; Lambert, Helen

2008-01-01

This paper uses ethnographic data from a sex workers' HIV project in India to consider the appropriateness of individual, social/group and structural theories of health behaviour when applied to HIV-prevention initiatives. Existing theories are critiqued for their modernist representation of behaviour as determined by individual rational decision-making processes or by external structural forces, with inadequate recognition being given to the roles that human agency, subjective meaning and local context play in everyday actions. Analysis of sex workers' accounts of their sexual practices suggests that existing theories of health behaviour can only partially account for sexual behaviour change retrospectively and that they have limited predictive value with respect to the outcomes of individual sexual encounters. Our data show that these outcomes were, in fact, highly context dependent, while possibilities for action were ultimately strongly constrained by structural forces. Findings suggest that interventions need to adopt an integrated, structurally-oriented approach for promoting safer sexual practices in sex work settings. Recognising that no one model of health behaviour is likely to be adequate in explaining or predicting behaviour change encourages responsiveness to local people's agency, recognises the different (health- and non-health-related) registers of risk with which people operate and encourages flexibility according to local contingencies and contexts.

Self-Defeating Behavior Workshops: Systems Approach for Hard-to-Serve Veterans.

ERIC Educational Resources Information Center

Banks, Jerry; And Others

1979-01-01

The self-defeating behavior (SDB) theory was applied to veterans who had problems in job training, vocational placement, and academic settings. A group-therapy structure meeting eight times during a four-week period was the basic approach of the SDB seminar. (Author)

Interactions Dominate the Dynamics of Visual Cognition

ERIC Educational Resources Information Center

Stephen, Damian G.; Mirman, Daniel

2010-01-01

Many cognitive theories have described behavior as the summation of independent contributions from separate components. Contrasting views have emphasized the importance of multiplicative interactions and emergent structure. We describe a statistical approach to distinguishing additive and multiplicative processes and apply it to the dynamics of…

Applying Self-Determination Theory to Adolescent Sexual-Risk Behavior and Knowledge: A Structural Equation Model [Formula: see text].

PubMed

Riley, Bettina H; McDermott, Ryon C

2018-05-01

National health priorities identify adolescent sexual-risk behavior outcomes as research and intervention targets for mental health. Reduce sexual-risk behavioral outcomes by applying self-determination theory to focus on decision-making autonomy. This study examined late adolescents' recollections of parental autonomy support/sexual-risk communication experiences and autonomy motivation as predictors of sexual-risk behaviors/knowledge. A convenience sample ( N = 249) of 19- and 20-year-old university students completed self-report questionnaires. Structural equation modeling with latent variables examined direct/indirect effects in the hypothesized model. Parents contributed uniquely through sexual-risk communication and/or autonomy support to late adolescents' autonomous motivation. The final model evidenced acceptable fit and explained 12% of the variation in adolescent sexual-risk behavior, 7% in adolescent autonomous motivation, and 2% in adolescent sexual-risk knowledge. Psychiatric mental health nurses should conduct further research and design interventions promoting parent autonomy support and adolescent autonomous motivation to reduce sexual risk-behavior and increase sexual-risk knowledge.

Quantization of Poisson Manifolds from the Integrability of the Modular Function

NASA Astrophysics Data System (ADS)

Bonechi, F.; Ciccoli, N.; Qiu, J.; Tarlini, M.

2014-10-01

We discuss a framework for quantizing a Poisson manifold via the quantization of its symplectic groupoid, combining the tools of geometric quantization with the results of Renault's theory of groupoid C*-algebras. This setting allows very singular polarizations. In particular, we consider the case when the modular function is multiplicatively integrable, i.e., when the space of leaves of the polarization inherits a groupoid structure. If suitable regularity conditions are satisfied, then one can define the quantum algebra as the convolution algebra of the subgroupoid of leaves satisfying the Bohr-Sommerfeld conditions. We apply this procedure to the case of a family of Poisson structures on , seen as Poisson homogeneous spaces of the standard Poisson-Lie group SU( n + 1). We show that a bihamiltonian system on defines a multiplicative integrable model on the symplectic groupoid; we compute the Bohr-Sommerfeld groupoid and show that it satisfies the needed properties for applying Renault theory. We recover and extend Sheu's description of quantum homogeneous spaces as groupoid C*-algebras.

State sum constructions of spin-TFTs and string net constructions of fermionic phases of matter

DOE PAGES

Bhardwaj, Lakshya; Gaiotto, Davide; Kapustin, Anton

2017-04-18

It is possible to describe fermionic phases of matter and spin-topological field theories in 2+1d in terms of bosonic “shadow” theories, which are obtained from the original theory by “gauging fermionic parity”. Furthemore, the fermionic/spin theories are recovered from their shadow by a process of fermionic anyon condensation: gauging a one-form symmetry generated by quasi-particles with fermionic statistics. We apply the formalism to theories which admit gapped boundary conditions. We obtain Turaev-Viro-like and Levin-Wen-like constructions of fermionic phases of matter. Here, we describe the group structure of fermionic SPT phases protected by Z 2f × G. The quaternion group makesmore » a surprise appearance.« less

Principal shapes and squeezed limits in the effective field theory of large scale structure

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

Bertolini, Daniele; Solon, Mikhail P., E-mail: dbertolini@lbl.gov, E-mail: mpsolon@lbl.gov

2016-11-01

We apply an orthogonalization procedure on the effective field theory of large scale structure (EFT of LSS) shapes, relevant for the angle-averaged bispectrum and non-Gaussian covariance of the matter power spectrum at one loop. Assuming natural-sized EFT parameters, this identifies a linear combination of EFT shapes—referred to as the principal shape—that gives the dominant contribution for the whole kinematic plane, with subdominant combinations suppressed by a few orders of magnitude. For the covariance, our orthogonal transformation is in excellent agreement with a principal component analysis applied to available data. Additionally we find that, for both observables, the coefficients of themore » principal shapes are well approximated by the EFT coefficients appearing in the squeezed limit, and are thus measurable from power spectrum response functions. Employing data from N-body simulations for the growth-only response, we measure the single EFT coefficient describing the angle-averaged bispectrum with Ο (10%) precision. These methods of shape orthogonalization and measurement of coefficients from response functions are valuable tools for developing the EFT of LSS framework, and can be applied to more general observables.« less

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

NASA Astrophysics Data System (ADS)

Shanahan, P. E.

2016-12-01

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

Laser cooling at resonance

NASA Astrophysics Data System (ADS)

Yudkin, Yaakov; Khaykovich, Lev

2018-05-01

We show experimentally that three-dimensional laser cooling of lithium atoms on the D2 line is possible when the laser light is tuned exactly to resonance with the dominant atomic transition. Qualitatively, it can be understood by applying simple Doppler cooling arguments to the specific hyperfine structure of the excited state of lithium atoms, which is both dense and inverted. However, to build a quantitative theory, we must resolve to a full model which takes into account both the entire atomic structure of all 24 Zeeman sublevels and the laser light polarization. Moreover, by means of Monte Carlo simulations, we show that coherent processes play an important role in showing consistency between the theory and the experimental results.

Surface capillary currents: Rediscovery of fluid-structure interaction by forced evolving boundary theory

NASA Astrophysics Data System (ADS)

Wang, Chunbai; Mitra, Ambar K.

2016-01-01

Any boundary surface evolving in viscous fluid is driven with surface capillary currents. By step function defined for the fluid-structure interface, surface currents are found near a flat wall in a logarithmic form. The general flat-plate boundary layer is demonstrated through the interface kinematics. The dynamics analysis elucidates the relationship of the surface currents with the adhering region as well as the no-slip boundary condition. The wall skin friction coefficient, displacement thickness, and the logarithmic velocity-defect law of the smooth flat-plate boundary-layer flow are derived with the advent of the forced evolving boundary method. This fundamental theory has wide applications in applied science and engineering.

An examination of coherent structures in a lobed mixer using multifractal measures in conjunction with the proper orthogonal decomposition

NASA Technical Reports Server (NTRS)

Ukeiley, L.; Varghese, M.; Glauser, M.; Valentine, D.

1991-01-01

A 'lobed mixer' device that enhances mixing through secondary flows and streamwise vorticity is presently studied within the framework of multifractal-measures theory, in order to deepen understanding of velocity time trace data gathered on its operation. Proper orthogonal decomposition-based knowledge of coherent structures has been applied to obtain the generalized fractal dimensions and multifractal spectrum of several proper eigenmodes for data samples of the velocity time traces; this constitutes a marked departure from previous multifractal theory applications to self-similar cascades. In certain cases, a single dimension may suffice to capture the entire spectrum of scaling exponents for the velocity time trace.

Structural and electronic properties of M-MOF-74 (M = Mg, Co or Mn)

NASA Astrophysics Data System (ADS)

de Oliveira, Aline; de Lima, Guilherme Ferreira; De Abreu, Heitor Avelino

2018-01-01

The Metal-Organic Frameworks M-MOF-74 (M = Mg, Co or Mn) were investigated through Density Functional Theory calculations. Structural parameters and band gap energies were determined in agreement with experimental data, with errors under 2%. The methods Electron Localization Function and Quantum Theory of Atoms in Molecules were applied to the analyses of the electronic density topology of the three solids. These methodologies indicated that the bonds between the metallic cations and the oxygen atoms are predominantly ionic while the other ones are predominantly covalent. Furthermore, non-conventional hydrogen bonds were identified to Mg-MOF-74 and Co-MOF-74, which were not observed to Mn-MOF-74.

Structure and energetics of high index Fe, Al, Cu and Ni surfaces using equivalent crystal theory

NASA Technical Reports Server (NTRS)

Rodriguez, Agustin M.; Bozzolo, Guillermo; Ferrante, John

1993-01-01

Equivalent crystal theory (ECT) is applied to the study of multilayer relaxations and surface energies of high-index faces of Fe, Al, Ni, and Cu. Changes in interplanar spacing as well as registry of planes close to the surface and the ensuing surface energies changes are discussed in reference to available experimental data and other theoretical calculations. Since ECT is a semiempirical method, the dependence of the results on the variation of the input used was investigated.

Turbine blade tip durability analysis

NASA Technical Reports Server (NTRS)

Mcknight, R. L.; Laflen, J. H.; Spamer, G. T.

1981-01-01

An air-cooled turbine blade from an aircraft gas turbine engine chosen for its history of cracking was subjected to advanced analytical and life-prediction techniques. The utility of advanced structural analysis techniques and advanced life-prediction techniques in the life assessment of hot section components are verified. Three dimensional heat transfer and stress analyses were applied to the turbine blade mission cycle and the results were input into advanced life-prediction theories. Shortcut analytical techniques were developed. The proposed life-prediction theories are evaluated.

Calculation of neutral weak nucleon form factors with the AdS/QCD correspondence

NASA Astrophysics Data System (ADS)

Lohmann, Mark

The AdS/QCD (Anti-de Sitter/Quantum Chromodynamics) is a mathematical formalism applied to a theory based on the original AdS/CFT (Anti-de Sitter/ Conformal Field Theory) correspondence. The aim is to describe properties of the strong force in an essentially non-perturbative way. AdS/QCD theories break the conformal symmetry of the AdS metric (a sacrifice) to arrive at a boundary theory which is QCD-like (a payoff). This correspondence has been used to calculate well-known quantities in nucleon spectra and structure like Regge trajectories, form factors, and many others within an error of less than 20% from experiment. This is impressive considering that ordinary perturbation theory in QCD applied to the strongly interacting domain usually obtains an error of about 30%. In this thesis, the AdS/QCD correspondence method of light-front holography established by Brodsky and de Teramond is used in an attempt to calculate the Dirac and Pauli neutral weak form factors, FZ1 (Q2) and FZ2 (Q 2) respectively, for both the proton and the neutron. With this approach, we were able to determine the neutral weak Dirac form factor for both nucleons and the Pauli form factor for the proton, while the method did not succeed at determining the neutral weak Pauli form factor for the neutron. With these we were also able to extract the proton's strange electric and magnetic form factor, which addresses important questions in nucleon sub-structure that are currently being investigated through experiments at the Thomas Jefferson National Accelerator Facility.

The Measurement, Nomological Net, and Theory of Perceived Self-Esteem Instability: Applying the Conservation of Resources Theory to Understand the Construct.

PubMed

Howard, Matt C

2018-01-01

The current article performs the first focused investigation into the construct of perceived self-esteem instability (P-SEI). Four studies investigate the construct's measurement, nomological net, and theoretical dynamics. Study 1 confirms the factor structure of a P-SEI Measure, supporting that P-SEI can be adequately measured. Study 2 identifies an initial nomological net surrounding P-SEI, showing that the construct is strongly related to stable aspects of the self (i.e., neuroticism and core self-evaluations). In Studies 3 and 4, the Conservation of Resources Theory is applied to develop and test five hypotheses. These studies show that P-SEI is predicted by self-esteem level and stressors, and the relationship of certain stressors is moderated by self-esteem contingencies. P-SEI also predicts stress, depression, anxiety, and certain defensive postures. From these studies and the integration of Conservation of Resources Theory, we suggest that P-SEI emerges through an interaction between environmental influences and personal resources, and we provide a theoretical model to better understand the construct of P-SEI. We suggest that this theory-driven model can prompt the initial field of study on P-SEI.

Perturbatively deformed defects in Pöschl-Teller-driven scenarios for quantum mechanics

NASA Astrophysics Data System (ADS)

Bernardini, Alex E.; da Rocha, Roldão

2016-07-01

Pöschl-Teller-driven solutions for quantum mechanical fluctuations are triggered off by single scalar field theories obtained through a systematic perturbative procedure for generating deformed defects. The analytical properties concerning the quantum fluctuations in one-dimension, zero-mode states, first- and second-excited states, and energy density profiles are all obtained from deformed topological and non-topological structures supported by real scalar fields. Results are firstly derived from an integrated λϕ4 theory, with corresponding generalizations applied to starting λχ4 and sine-Gordon theories. By focusing our calculations on structures supported by the λϕ4 theory, the outcome of our study suggests an exact quantitative correspondence to Pöschl-Teller-driven systems. Embedded into the perturbative quantum mechanics framework, such a correspondence turns into a helpful tool for computing excited states and continuous mode solutions, as well as their associated energy spectrum, for quantum fluctuations of perturbatively deformed structures. Perturbative deformations create distinct physical scenarios in the context of exactly solvable quantum systems and may also work as an analytical support for describing novel braneworld universes embedded into a 5-dimensional gravity bulk.

Experimental and Theoretical Results in Output-Trajectory Redesign for Flexible Structures

NASA Technical Reports Server (NTRS)

Dewey, J. S.; Devasia, Santosh

1996-01-01

In this paper we study the optimal redesign of output trajectory for linear invertible systems. This is particularly important for tracking control of flexible structures because the input-state trajectories that achieve the required output may cause excessive vibrations in the structure. A trade-off is then required between tracking and vibrations reduction. We pose and solve this problem as the minimization of a quadratic cost function. The theory is developed and applied to the output tracking of a flexible structure and experimental results are presented.

A Review of Trend of Nursing Theories related Caregivers in Korea

PubMed Central

Hae Kim, Sung; Choi, Yoona; Lee, Ji-Hye; Jang, Da-El; Kim, Sanghee

2018-01-01

Background: The prevalence of chronic diseases has been rapidly increased due to population aging. As the duration of care needs increase, the caregivers’ socioeconomic burdens have also increased. Objective: This review examines the attributes of caregiving experience and quality of life of caregivers in Korea with a focus on the application of nursing theory. Method: We reviewed studies on caregivers’ caring for adult patients published till 2016 in 4 bio-medical research portal websites or data bases. A total of 1,939 studies were identified through the keyword search. One hundred forty five studies were selected by a process; of which, 17 studies were theory-applied. Selected studies were analyzed in accordance with the structured analysis format. Results: Quantitative studies accounted for 76.6%, while 22.1% were qualitative studies and 1.3% were triangulation studies. Caregiver-related studies increased after 2000. Most frequently, the caregivers were spouses (28.4%), and most frequently, care was provided to a recipient affected by stroke (22.5%). The 17 theory-based studies described 20 theories (70% psychology theories, 30% nursing theories). The most frequent nursing theory was the theory of stress, appraisal and coping. Conclusion: This study sought to better understand caregiving through the analysis of Korean studies on the caregiving experience and caregivers’ QOL and this finding helped presenting empirical data for nursing by identifying the nursing theories applied to the caregiving experience and caregivers’ QOL. The results suggest that the need for further expansion of nursing theories and their greater utilization in the studies of caregiving. PMID:29515682

Local Telephone Costs and the Design of Rate Structures,

DTIC Science & Technology

1981-05-01

guide the setting of prices for the multi-product regulated firm. Economic effi- ciency can be increased by designing rate structures that incorporate the... basic principles developed from this theory. These principles call for provisionally pricing each of the firm’s outputs at its marginal cost, testing...rule--prices are increased above marginal costs in inverse proportion to the individual price elasticities of demand. This paper applies ratemaking

Design Methodology for Scarf Repairs to Composite Structures

DTIC Science & Technology

2006-08-01

particularly for laminates containing unidirectional ( tape ) plies, where the variation in stiffness along the scarf is significant. (a) A scarf...London. p. 610-666. 5. Lubkin, J.L., A theory of adhesive scarf joints. Journal of Applied Mechanics, 1956. July 1957: p. 255-260. 6. Erdogan , F

A Worksheet for Ethics Instruction and Exercises in Reason.

ERIC Educational Resources Information Center

Bivins, Thomas H.

1993-01-01

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

Elaborated Metaphors Support Viable Inferences about Difficult Science Concepts

ERIC Educational Resources Information Center

Diehl, Virginia; Reese, Debbie Denise

2010-01-01

Instructional metaphors scaffold learning better when accompanied by an elaboration. Applying structure mapping theory, we developed and used an elaborated instructional metaphor (text and illustrations) for introductory chemistry concepts. In two studies (N[subscript 1] = 44, N[subscript 2] = 57), college students with little chemistry background…

"Applied" Aspects of the Drug Resistance Strategies Project

ERIC Educational Resources Information Center

Hecht, Michael L.; Miller-Day, Michelle A.

2010-01-01

This paper discusses the applied aspects of our Drug Resistance Strategies Project. We argue that a new definitional distinction is needed to expand the notion of "applied" from the traditional notion of utilizing theory, which we call "applied.1," in order to consider theory-grounded, theory testing and theory developing applied research. We…

Economic, demographic and social factors of energy demand in Mexican households, 2008-2014

NASA Astrophysics Data System (ADS)

Perez Pena, Rafael

This research project focuses on estimating the effect of economic, demographic, and social factors in residential energy demand in Mexico from 2008 to 2014. Therefore, it estimates demand equations for electricity, natural gas, liquefied petroleum gas (LPG), coal and natural gas using Mexican household data from 2008 to 2014. It also applies accessibility theory and it estimates energy access indicators using different specifications of demand for LPG in 2014. Sprawl measures, gravity model, and central place theory are the accessibility theory supporting the energy access indicators. Results suggest the greater the household income, the population size, the educational level of the householder, the energy access, and the lower the energy price and the household size, the greater the demand for energy in Mexico from 2008 to 2014. The greater the education, the lower the demand for firewood and coal. LPG and firewood have a monopolistically competitive market structure. Energy access indicators informed by accessibility theory are statistically significant and show the expected sign when applied to LPG in Mexican household in 2014.

Circuit theory and model-based inference for landscape connectivity

USGS Publications Warehouse

Hanks, Ephraim M.; Hooten, Mevin B.

2013-01-01

Circuit theory has seen extensive recent use in the field of ecology, where it is often applied to study functional connectivity. The landscape is typically represented by a network of nodes and resistors, with the resistance between nodes a function of landscape characteristics. The effective distance between two locations on a landscape is represented by the resistance distance between the nodes in the network. Circuit theory has been applied to many other scientific fields for exploratory analyses, but parametric models for circuits are not common in the scientific literature. To model circuits explicitly, we demonstrate a link between Gaussian Markov random fields and contemporary circuit theory using a covariance structure that induces the necessary resistance distance. This provides a parametric model for second-order observations from such a system. In the landscape ecology setting, the proposed model provides a simple framework where inference can be obtained for effects that landscape features have on functional connectivity. We illustrate the approach through a landscape genetics study linking gene flow in alpine chamois (Rupicapra rupicapra) to the underlying landscape.

Asthma management simulation for children: translating theory, methods, and strategies to effect behavior change.

PubMed

Shegog, Ross; Bartholomew, L Kay; Gold, Robert S; Pierrel, Elaine; Parcel, Guy S; Sockrider, Marianna M; Czyzewski, Danita I; Fernandez, Maria E; Berlin, Nina J; Abramson, Stuart

2006-01-01

Translating behavioral theories, models, and strategies to guide the development and structure of computer-based health applications is well recognized, although a continued challenge for program developers. A stepped approach to translate behavioral theory in the design of simulations to teach chronic disease management to children is described. This includes the translation steps to: 1) define target behaviors and their determinants, 2) identify theoretical methods to optimize behavioral change, and 3) choose educational strategies to effectively apply these methods and combine these into a cohesive computer-based simulation for health education. Asthma is used to exemplify a chronic health management problem and a computer-based asthma management simulation (Watch, Discover, Think and Act) that has been evaluated and shown to effect asthma self-management in children is used to exemplify the application of theory to practice. Impact and outcome evaluation studies have indicated the effectiveness of these steps in providing increased rigor and accountability, suggesting their utility for educators and developers seeking to apply simulations to enhance self-management behaviors in patients.

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.

TOPICS IN THEORY OF GENERALIZED PARTON DISTRIBUTIONS

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

Radyushkin, Anatoly V.

Several topics in the theory of generalized parton distributions (GPDs) are reviewed. First, we give a brief overview of the basics of the theory of generalized parton distributions and their relationship with simpler phenomenological functions, viz. form factors, parton densities and distribution amplitudes. Then, we discuss recent developments in building models for GPDs that are based on the formalism of double distributions (DDs). A special attention is given to a careful analysis of the singularity structure of DDs. The DD formalism is applied to construction of a model GPDs with a singular Regge behavior. Within the developed DD-based approach, wemore » discuss the structure of GPD sum rules. It is shown that separation of DDs into the so-called ``plus'' part and the $D$-term part may be treated as a renormalization procedure for the GPD sum rules. This approach is compared with an alternative prescription based on analytic regularization.« less

Multispecies coexistence of trees in tropical forests: spatial signals of topographic niche differentiation increase with environmental heterogeneity.

PubMed

Brown, C; Burslem, D F R P; Illian, J B; Bao, L; Brockelman, W; Cao, M; Chang, L W; Dattaraja, H S; Davies, S; Gunatilleke, C V S; Gunatilleke, I A U N; Huang, J; Kassim, A R; Lafrankie, J V; Lian, J; Lin, L; Ma, K; Mi, X; Nathalang, A; Noor, S; Ong, P; Sukumar, R; Su, S H; Sun, I F; Suresh, H S; Tan, S; Thompson, J; Uriarte, M; Valencia, R; Yap, S L; Ye, W; Law, R

2013-08-07

Neutral and niche theories give contrasting explanations for the maintenance of tropical tree species diversity. Both have some empirical support, but methods to disentangle their effects have not yet been developed. We applied a statistical measure of spatial structure to data from 14 large tropical forest plots to test a prediction of niche theory that is incompatible with neutral theory: that species in heterogeneous environments should separate out in space according to their niche preferences. We chose plots across a range of topographic heterogeneity, and tested whether pairwise spatial associations among species were more variable in more heterogeneous sites. We found strong support for this prediction, based on a strong positive relationship between variance in the spatial structure of species pairs and topographic heterogeneity across sites. We interpret this pattern as evidence of pervasive niche differentiation, which increases in importance with increasing environmental heterogeneity.

The speed of metacognition: taking time to get to know one's structural knowledge.

PubMed

Mealor, Andy D; Dienes, Zoltan

2013-03-01

The time course of different metacognitive experiences of knowledge was investigated using artificial grammar learning. Experiment 1 revealed that when participants are aware of the basis of their judgments (conscious structural knowledge) decisions are made most rapidly, followed by decisions made with conscious judgment but without conscious knowledge of underlying structure (unconscious structural knowledge), and guess responses (unconscious judgment knowledge) were made most slowly, even when controlling for differences in confidence and accuracy. In experiment 2, short response deadlines decreased the accuracy of unconscious but not conscious structural knowledge. Conversely, the deadline decreased the proportion of conscious structural knowledge in favour of guessing. Unconscious structural knowledge can be applied rapidly but becomes more reliable with additional metacognitive processing time whereas conscious structural knowledge is an all-or-nothing response that cannot always be applied rapidly. These dissociations corroborate quite separate theories of recognition (dual-process) and metacognition (higher order thought and cross-order integration). Copyright © 2012 Elsevier Inc. All rights reserved.

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.

Convex decomposition techniques applied to handlebodies

NASA Astrophysics Data System (ADS)

Ortiz, Marcos A.

Contact structures on 3-manifolds are 2-plane fields satisfying a set of conditions. The study of contact structures can be traced back for over two-hundred years, and has been of interest to mathematicians such as Hamilton, Jacobi, Cartan, and Darboux. In the late 1900's, the study of these structures gained momentum as the work of Eliashberg and Bennequin described subtleties in these structures that could be used to find new invariants. In particular, it was discovered that contact structures fell into two classes: tight and overtwisted. While overtwisted contact structures are relatively well understood, tight contact structures remain an area of active research. One area of active study, in particular, is the classification of tight contact structures on 3-manifolds. This began with Eliashberg, who showed that the standard contact structure in real three-dimensional space is unique, and it has been expanded on since. Some major advancements and new techniques were introduced by Kanda, Honda, Etnyre, Kazez, Matic, and others. Convex decomposition theory was one product of these explorations. This technique involves cutting a manifold along convex surfaces (i.e. surfaces arranged in a particular way in relation to the contact structure) and investigating a particular set on these cutting surfaces to say something about the original contact structure. In the cases where the cutting surfaces are fairly nice, in some sense, Honda established a correspondence between information on the cutting surfaces and the tight contact structures supported by the original manifold. In this thesis, convex surface theory is applied to the case of handlebodies with a restricted class of dividing sets. For some cases, classification is achieved, and for others, some interesting patterns arise and are investigated.

Aeroelastic System Development Using Proper Orthogonal Decomposition and Volterra Theory

NASA Technical Reports Server (NTRS)

Lucia, David J.; Beran, Philip S.; Silva, Walter A.

2003-01-01

This research combines Volterra theory and proper orthogonal decomposition (POD) into a hybrid methodology for reduced-order modeling of aeroelastic systems. The out-come of the method is a set of linear ordinary differential equations (ODEs) describing the modal amplitudes associated with both the structural modes and the POD basis functions for the uid. For this research, the structural modes are sine waves of varying frequency, and the Volterra-POD approach is applied to the fluid dynamics equations. The structural modes are treated as forcing terms which are impulsed as part of the uid model realization. Using this approach, structural and uid operators are coupled into a single aeroelastic operator. This coupling converts a free boundary uid problem into an initial value problem, while preserving the parameter (or parameters) of interest for sensitivity analysis. The approach is applied to an elastic panel in supersonic cross ow. The hybrid Volterra-POD approach provides a low-order uid model in state-space form. The linear uid model is tightly coupled with a nonlinear panel model using an implicit integration scheme. The resulting aeroelastic model provides correct limit-cycle oscillation prediction over a wide range of panel dynamic pressure values. Time integration of the reduced-order aeroelastic model is four orders of magnitude faster than the high-order solution procedure developed for this research using traditional uid and structural solvers.

Applications of operant learning theory to the management of challenging behavior after traumatic brain injury.

PubMed

Wood, Rodger Ll; Alderman, Nick

2011-01-01

For more than 3 decades, interventions derived from learning theory have been delivered within a neurobehavioral framework to manage challenging behavior after traumatic brain injury with the aim of promoting engagement in the rehabilitation process and ameliorating social handicap. Learning theory provides a conceptual structure that facilitates our ability to understand the relationship between challenging behavior and environmental contingencies, while accommodating the constraints upon learning imposed by impaired cognition. Interventions derived from operant learning theory have most frequently been described in the literature because this method of associational learning provides good evidence for the effectiveness of differential reinforcement methods. This article therefore examines the efficacy of applying operant learning theory to manage challenging behavior after TBI as well as some of the limitations of this approach. Future developments in the application of learning theory are also considered.

The application of minority stress theory to marijuana use among sexual minority adolescents.

PubMed

Goldbach, Jeremy T; Schrager, Sheree M; Dunlap, Shannon L; Holloway, Ian W

2015-02-01

Previous research indicates that lesbian, gay, and bisexual (LGB) adolescents are at increased risk for substance use, including heightened rates of marijuana use. Minority stress theory suggests that difficult social situations create a state of chronic stress that leads to poor health outcomes for LGB adults; however, the applicability of this model has not been well explored in relation to substance use among LGB adolescents. The current study is a secondary analysis of the OutProud survey, conducted in 2000. The original study used purposive sampling to collect data from 1,911 LGB adolescents (age 12-17) across the United States, and represents the largest known study to explore experiences specific to identifying as LGB, such as homophobia and gay-related victimization. We used structural equation modeling (SEM) to explore the feasibility of applying a minority stress framework to understand marijuana use in this population. The final structural model for marijuana use in the LGB adolescent sample displayed excellent fit and modest explanatory power for marijuana use. Two of the five factors, community connectedness and internalized homophobia, were significantly (p < .05) associated with marijuana use. Findings suggest that minority stress theory may be appropriately applied to marijuana use in this population; however, better measurement of minority stress concepts for LGB adolescents is needed.

Standing spin-wave mode structure and linewidth in partially disordered hexagonal arrays of perpendicularly magnetized sub-micron Permalloy discs

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

Ross, N., E-mail: rossn2282@gmail.com; Kostylev, M., E-mail: mikhail.kostylev@uwa.edu.au; Stamps, R. L.

2014-09-21

Standing spin wave mode frequencies and linewidths in partially disordered perpendicular magnetized arrays of sub-micron Permalloy discs are measured using broadband ferromagnetic resonance and compared to analytical results from a single, isolated disc. The measured mode structure qualitatively reproduces the structure expected from the theory. Fitted demagnetizing parameters decrease with increasing array disorder. The frequency difference between the first and second radial modes is found to be higher in the measured array systems than predicted by theory for an isolated disc. The relative frequencies between successive spin wave modes are unaffected by reduction of the long-range ordering of discs inmore » the array. An increase in standing spin wave resonance linewidth at low applied magnetic fields is observed and grows more severe with increased array disorder.« less

Religion, evolution, and mental health: attachment theory and ETAS theory.

PubMed

Flannelly, Kevin J; Galek, Kathleen

2010-09-01

This article reviews the historical origins of Attachment Theory and Evolutionary Threat Assessment Systems Theory (ETAS Theory), their evolutionary basis and their application in research on religion and mental health. Attachment Theory has been most commonly applied to religion and mental health in research on God as an attachment figure, which has shown that secure attachment to God is positively associated with psychological well-being. Its broader application to religion and mental health is comprehensively discussed by Kirkpatrick (2005). ETAS Theory explains why certain religious beliefs--including beliefs about God and life-after-death--should have an adverse association, an advantageous association, or no association at all with mental health. Moreover, it makes specific predictions to this effect, which have been confirmed, in part. The authors advocate the application of ETAS Theory in research on religion and mental health because it explains how religious and other beliefs related to the dangerousness of the world can directly affect psychiatric symptoms through their affects on specific brain structures.

Ambiguous Loss after Lesbian Couples with Children Break up: A Case for Same-Gender Divorce

ERIC Educational Resources Information Center

Allen, Katherine R.

2007-01-01

The theory of ambiguous loss is applied to structural ambiguity and personal transcendence in the parent-child relationship following a same-gender relational ending. Working recursively through the six guidelines of ambiguous loss (finding meaning, tempering mastery, reconstructing identity, normalizing ambivalence, revising attachment, and…

Critical and Transformative Practices in Professional Learning Communities

ERIC Educational Resources Information Center

Servage, Laura

2008-01-01

Professional learning communities (PLCs) have been held up as powerful structures for teachers' continuing professional development. In this work, the author has applied transformative learning theory to highlight the psychic risks of collaborative teacher learning, as well as the need for practical efforts to improve student learning--the means…

Decision Making Perspectives of Young Children (K-5).

ERIC Educational Resources Information Center

Rogers, Linda J.; McDonald, Linda L.

1999-01-01

Applies Blumer's theory of symbolic interactionism to explore how normal children make meaning of their decision making world, both of their own acts and the labyrinthine world adults structure for them. Schema/narratives on friendship, sports, adults, and school reveal knowledge making strategies defined by immediate experiences and a capacity to…

Transfer of Training: Adding Insight through Social Network Analysis

ERIC Educational Resources Information Center

Van den Bossche, Piet; Segers, Mien

2013-01-01

This article reviews studies which apply a social network perspective to examine transfer of training. The theory behind social networks focuses on the interpersonal mechanisms and social structures that exist among interacting units such as people within an organization. A premise of this perspective is that individual's behaviors and outcomes…

Frameworks for Examining Comprehension and Discourse: An Overview.

ERIC Educational Resources Information Center

Carey, Robert F.; Smith, Sharon L.

Overviews of schema theory, which focuses on the cognitive operations engaged in by the reader, and discourse analysis, which focuses on structural characteristics of the text itself, are presented in this paper. The first section explains the notion of cognitive schemata (patterns of expectations that are applied to incoming information) and…

Discovering Authorities and Hubs in Different Topological Web Graph Structures.

ERIC Educational Resources Information Center

Meghabghab, George

2002-01-01

Discussion of citation analysis on the Web considers Web hyperlinks as a source to analyze citations. Topics include basic graph theory applied to Web pages, including matrices, linear algebra, and Web topology; and hubs and authorities, including a search technique called HITS (Hyperlink Induced Topic Search). (Author/LRW)

Spousal Support and Work--Family Balance in Launching a Family Business

ERIC Educational Resources Information Center

Gudmunson, Clinton G.; Danes, Sharon M.; Werbel, James D.; Loy, Johnben Teik-Cheok

2009-01-01

This study examines whether emotional spousal support contributes to business owners' perceived work-family balance while launching a family business. Hobfoll's Conservation of Resources theory of stress is applied to 109 family business owners and their spouses. Results from structural equation models support several hypotheses. First, reports of…

Lewin's Impact on Education: Instilling Cooperation and Conflict Management Skills in School Children.

ERIC Educational Resources Information Center

Maruyama, Geoffrey

1992-01-01

A Lewinian orientation to educational problems fits current innovative thinking in education (e.g., models for making education multicultural), and provides the bases of important applied work on cooperative learning techniques and constructive ways of structuring conflict within educational settings. Lewinian field theory provides a broad…

"Bildung" and Music Education: A Finnish Perspective

ERIC Educational Resources Information Center

Heimonen, Marja

2014-01-01

The article addresses "Bildung" from a Finnish perspective and asks: Are there specific meanings of Bildung that are typical of a certain time and place? The author applies a multi-layered theory of critical positivism, adapting its three-level structure to music education and the concept of "Bildung." First, she discusses…

The Formal Structure of School Summaries.

ERIC Educational Resources Information Center

Flottum, Kjersti

A study compared text summaries produced by French high school students and those written by experts. The study's objective was to determine how language users distinguish the essential from the peripheral information, to describe the summarizing process, and to apply the macrostructure theory to the process of summarizing. The summarized texts…

Restructuring consciousness -the psychedelic state in light of integrated information theory.

PubMed

Gallimore, Andrew R

2015-01-01

The psychological state elicited by the classic psychedelics drugs, such as LSD and psilocybin, is one of the most fascinating and yet least understood states of consciousness. However, with the advent of modern functional neuroimaging techniques, the effect of these drugs on neural activity is now being revealed, although many of the varied phenomenological features of the psychedelic state remain challenging to explain. Integrated information theory (IIT) is one of the foremost contemporary theories of consciousness, providing a mathematical formalization of both the quantity and quality of conscious experience. This theory can be applied to all known states of consciousness, including the psychedelic state. Using the results of functional neuroimaging data on the psychedelic state, the effects of psychedelic drugs on both the level and structure of consciousness can be explained in terms of the conceptual framework of IIT. This new IIT-based model of the psychedelic state provides an explanation for many of its phenomenological features, including unconstrained cognition, alterations in the structure and meaning of concepts and a sense of expanded awareness. This model also suggests that whilst cognitive flexibility, creativity, and imagination are enhanced during the psychedelic state, this occurs at the expense of cause-effect information, as well as degrading the brain's ability to organize, categorize, and differentiate the constituents of conscious experience. Furthermore, the model generates specific predictions that can be tested using a combination of functional imaging techniques, as has been applied to the study of levels of consciousness during anesthesia and following brain injury.

On Nomological Validity and Auxiliary Assumptions: The Importance of Simultaneously Testing Effects in Social Cognitive Theories Applied to Health Behavior and Some Guidelines

PubMed Central

Hagger, Martin S.; Gucciardi, Daniel F.; Chatzisarantis, Nikos L. D.

2017-01-01

Tests of social cognitive theories provide informative data on the factors that relate to health behavior, and the processes and mechanisms involved. In the present article, we contend that tests of social cognitive theories should adhere to the principles of nomological validity, defined as the degree to which predictions in a formal theoretical network are confirmed. We highlight the importance of nomological validity tests to ensure theory predictions can be disconfirmed through observation. We argue that researchers should be explicit on the conditions that lead to theory disconfirmation, and identify any auxiliary assumptions on which theory effects may be conditional. We contend that few researchers formally test the nomological validity of theories, or outline conditions that lead to model rejection and the auxiliary assumptions that may explain findings that run counter to hypotheses, raising potential for ‘falsification evasion.’ We present a brief analysis of studies (k = 122) testing four key social cognitive theories in health behavior to illustrate deficiencies in reporting theory tests and evaluations of nomological validity. Our analysis revealed that few articles report explicit statements suggesting that their findings support or reject the hypotheses of the theories tested, even when findings point to rejection. We illustrate the importance of explicit a priori specification of fundamental theory hypotheses and associated auxiliary assumptions, and identification of the conditions which would lead to rejection of theory predictions. We also demonstrate the value of confirmatory analytic techniques, meta-analytic structural equation modeling, and Bayesian analyses in providing robust converging evidence for nomological validity. We provide a set of guidelines for researchers on how to adopt and apply the nomological validity approach to testing health behavior models. PMID:29163307

Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations.

PubMed

van de Streek, Jacco; Neumann, Marcus A

2010-10-01

This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 Å (0.084 Å for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 A either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect.

Pawlak Algebra and Approximate Structure on Fuzzy Lattice

PubMed Central

Zhuang, Ying; Liu, Wenqi; Wu, Chin-Chia; Li, Jinhai

2014-01-01

The aim of this paper is to investigate the general approximation structure, weak approximation operators, and Pawlak algebra in the framework of fuzzy lattice, lattice topology, and auxiliary ordering. First, we prove that the weak approximation operator space forms a complete distributive lattice. Then we study the properties of transitive closure of approximation operators and apply them to rough set theory. We also investigate molecule Pawlak algebra and obtain some related properties. PMID:25152922

Pawlak algebra and approximate structure on fuzzy lattice.

PubMed

Zhuang, Ying; Liu, Wenqi; Wu, Chin-Chia; Li, Jinhai

2014-01-01

The aim of this paper is to investigate the general approximation structure, weak approximation operators, and Pawlak algebra in the framework of fuzzy lattice, lattice topology, and auxiliary ordering. First, we prove that the weak approximation operator space forms a complete distributive lattice. Then we study the properties of transitive closure of approximation operators and apply them to rough set theory. We also investigate molecule Pawlak algebra and obtain some related properties.

Integrated Force Method for Indeterminate Structures

NASA Technical Reports Server (NTRS)

Hopkins, Dale A.; Halford, Gary R.; Patnaik, Surya N.

2008-01-01

Two methods of solving indeterminate structural-mechanics problems have been developed as products of research on the theory of strain compatibility. In these methods, stresses are considered to be the primary unknowns (in contrast to strains and displacements being considered as the primary unknowns in some prior methods). One of these methods, denoted the integrated force method (IFM), makes it possible to compute stresses, strains, and displacements with high fidelity by use of modest finite-element models that entail relatively small amounts of computation. The other method, denoted the completed Beltrami Mitchell formulation (CBMF), enables direct determination of stresses in an elastic continuum with general boundary conditions, without the need to first calculate displacements as in traditional methods. The equilibrium equation, the compatibility condition, and the material law are the three fundamental concepts of the theory of structures. For almost 150 years, it has been commonly supposed that the theory is complete. However, until now, the understanding of the compatibility condition remained incomplete, and the compatibility condition was confused with the continuity condition. Furthermore, the compatibility condition as applied to structures in its previous incomplete form was inconsistent with the strain formulation in elasticity.

Island phytophagy: explaining the remarkable diversity of plant-feeding insects

PubMed Central

Joy, Jeffrey B.; Crespi, Bernard J.

2012-01-01

Plant-feeding insects have undergone unparalleled diversification among different plant taxa, yet explanations for variation in their diversity lack a quantitative, predictive framework. Island biogeographic theory has been applied to spatially discrete habitats but not to habitats, such as host plants, separated by genetic distance. We show that relationships between the diversity of gall-inducing flies and their host plants meet several fundamental predictions from island biogeographic theory. First, plant-taxon genetic distinctiveness, an integrator for long-term evolutionary history of plant lineages, is a significant predictor of variance in the diversity of gall-inducing flies among host-plant taxa. Second, range size and structural complexity also explain significant proportions of the variance in diversity of gall-inducing flies among different host-plant taxa. Third, as with other island systems, plant-lineage age does not predict species diversity. Island biogeographic theory, applied to habitats defined by genetic distance, provides a novel, comprehensive framework for analysing and explaining the diversity of plant-feeding insects and other host-specific taxa. PMID:22553094

Island phytophagy: explaining the remarkable diversity of plant-feeding insects.

PubMed

Joy, Jeffrey B; Crespi, Bernard J

2012-08-22

Plant-feeding insects have undergone unparalleled diversification among different plant taxa, yet explanations for variation in their diversity lack a quantitative, predictive framework. Island biogeographic theory has been applied to spatially discrete habitats but not to habitats, such as host plants, separated by genetic distance. We show that relationships between the diversity of gall-inducing flies and their host plants meet several fundamental predictions from island biogeographic theory. First, plant-taxon genetic distinctiveness, an integrator for long-term evolutionary history of plant lineages, is a significant predictor of variance in the diversity of gall-inducing flies among host-plant taxa. Second, range size and structural complexity also explain significant proportions of the variance in diversity of gall-inducing flies among different host-plant taxa. Third, as with other island systems, plant-lineage age does not predict species diversity. Island biogeographic theory, applied to habitats defined by genetic distance, provides a novel, comprehensive framework for analysing and explaining the diversity of plant-feeding insects and other host-specific taxa.

Can Burt's Theory of Structural Holes be Applied to Study Social Support Among Mid-Age Female Sex Workers? A Multi-Site Egocentric Network Study in China.

PubMed

Liu, Hongjie

2017-12-01

The epidemic of HIV/AIDS continues to spread among older adults and mid-age female sex workers (FSWs) over 35 years old. We used egocentric network data collected from three study sites in China to examine the applicability of Burt's Theory of Social Holes to study social support among mid-age FSWs. Using respondent-driven sampling, 1245 eligible mid-age FSWs were interviewed. Network structural holes were measured by network constraint and effective size. Three types of social networks were identified: family networks, workplace networks, and non-FSW networks. A larger effective size was significantly associated with a higher level of social support [regression coefficient (β) 5.43-10.59] across the three study samples. In contrast, a greater constraint was significantly associated with a lower level of social support (β -9.33 to -66.76). This study documents the applicability of the Theory of Structural Holes in studying network support among marginalized populations, such as FSWs.

Electronic-structure theory of plutonium chalcogenides

NASA Astrophysics Data System (ADS)

Shick, Alexander; Havela, Ladislav; Gouder, Thomas; Rebizant, Jean

2009-03-01

The correlated band theory methods, the around-mean-field LDA + U and dynamical LDA + HIA (Hubbard-I), are applied to investigate the electronic structure of Pu chalcogenides. The LDA + U calculations for PuX (X = S, Se, Te) provide non-magnetic ground state in agreement with the experimental data. Non-integer filling of 5 f-manifold (from approx. 5.6 in PuS to 5.7 PuTe). indicates a mixed valence ground state which combines f5 and f6 multiplets. Making use of the dynamical LDA+HIA method the photoelectron spectra are calculated in good agreement with experimental data. The three-peak feature near EF attributed to 5 f-manifold is well reproduced by LDA + HIA, and follows from mixed valence character of the ground state.

Thermal expansion in FeCrCoNiGa high-entropy alloy from theory and experiment

NASA Astrophysics Data System (ADS)

Huang, Shuo; Vida, Ádám; Li, Wei; Molnár, Dávid; Kyun Kwon, Se; Holmström, Erik; Varga, Béla; Károly Varga, Lajos; Vitos, Levente

2017-06-01

First-principle alloy theory and key experimental techniques are applied to determine the thermal expansion of FeCrCoNiGa high-entropy alloy. The magnetic transition, observed at 649 K, is accompanied by a significant increase in the thermal expansion coefficient. The phase stability is analyzed as a function of temperature via the calculated free energies accounting for the structural, magnetic, electronic, vibrational and configurational contributions. The single- and polycrystal elastic modulus for the ferro- and paramagnetic states of the face-centered and body-centered cubic phases are presented. By combining the measured and theoretically predicted temperature-dependent lattice parameters, we reveal the structural and magnetic origin of the observed anomalous thermal expansion behavior.

A theory-based curriculum design for remediation of residents' communication skills.

PubMed

Leung, Fok-Han; Martin, Dawn; Batty, Helen

2009-12-01

Residents requiring remediation are often deficient in communication skills, namely clinical interviewing skills. Residents have to digest large amounts of knowledge, and then apply it in a clinical interview. The patient-centered approach, as demonstrated in the Calgary-Cambridge model and Martin's Map, can be difficult to teach. Before implementing a remediation curriculum, the theoretical educational underpinnings must be sound; curriculum evaluation is often expensive. Before establishing metrics for curriculum evaluation, a starting point is to perform a mental experiment to test theoretical adherence. This article describes an experiential remedial curriculum for communication skills. Educational theories of Kolb, Knowles, Bandura, and Bloom are used to design the curriculum into theory-based design components. Kolb's experiential cycle models the natural sequence of experiencing, teaching, and learning interviewing skills. A curriculum structured around this cycle has multiple intercalations with the above educational theories. The design is strengthened by appropriately timed use of education strategies such as learning contracts, taped interviews, simulations, structured reflection, and teacher role modeling. Importantly, it also models the form of the clinical interview format desired. Through understanding and application of contemporary educational theories, a program to remediate interviewing skills can increase its potential for success.

“Applied” Aspects of the Drug Resistance Strategies Project

PubMed Central

Hecht, Michael L.; Miller-Day, Michelle A.

2010-01-01

This paper discusses the applied aspects of our Drug Resistance Strategies Project. We argue that a new definitional distinction is needed to expand the notion of “applied” from the traditional notion of utilizing theory, which we call “applied.1”, in order to consider theory-grounded, theory testing and theory developing applied research. We label this new definition “applied.2” research. We then explain that our descriptive work describing the social processes of adolescent substance use, identity and use, and drug norms, as well as the subsequent development and dissemination of our keepin’ it REAL middle school substance use curriculum are examples of “applied.1” work. In the “applied.2” realm, we include our theory testing (e.g., tests of multiculturalism, narrative and performance theories, the Focus Theory of Norms) and theory-developing (e.g., parent-child communication, cultural grounding) research as well our new directions in theory development (e.g., adaptation processes). We conclude with a call for space in the discipline for “applied.2” work that builds and tests theory through application to significant social issues that contribute to our communities. We note obstacles in departmental and scholarly norms but express optimism about the prospects for “applied.2” research in the future of communication research. PMID:20711485

Science, School Science, and School: Looking at Science Learning in Classrooms from the Perspective of Basil Bernstein's Theory of the Structure of Pedagogic Discourse

NASA Astrophysics Data System (ADS)

Campbell, Ralph Ian

This analytic paper asks one question: How does Basil Bernstein's concept of the structure of pedagogic discourse (SPD) contribute to our understanding of the role of teacher-student interactions in science learning in the classroom? Applying Bernstein's theory of the SPD to an analysis of current research in science education explores the structure of Bernstein's theory as a tool for understanding the challenges and questions related to current concerns about classroom science learning. This analysis applies Bernstein's theory of the SPD as a heuristic through a secondary reading of selected research from the past fifteen years and prompts further consideration of Bernstein's ideas. This leads to a reevaluation of the categories of regulative discourse (RD) and instructional discourse (ID) as structures that frame learning environments and the dynamics of student-teacher interactions, which determine learning outcomes. The SPD becomes a simple but flexible heuristic, offering a useful deconstruction of teaching and learning dynamics in three different classroom environments. Understanding the framing interactions of RD and ID provides perspectives on the balance of agency and expectation, suggesting some causal explanations for the student learning outcomes described by the authors. On one hand, forms of open inquiry and student-driven instruction may lack the structure to ensure the appropriation of desired forms of scientific thinking. On the other hand, well-designed pathways towards the understanding of fundamental concepts in science may lack the forms of more open-ended inquiry that develop transferable understanding. Important ideas emerge about the complex dynamics of learning communities, the materials of learning, and the dynamic role of the teacher as facilitator and expert. Simultaneously, the SPD as a flexible heuristic proves ambiguous, prompting a reevaluation of Bernstein's organization of RD and ID. The hierarchical structure of pedagogic discourse becomes a problematic distinction. Regulative discourse is often more instructional and instructional discourse more instrumental in shaping roles and relationships within the learning community. This analysis suggests an agenda for future classroom research and the education of teachers, capitalizing on the SPD as heuristic and reevaluating the ways that social dynamics and structures for domain-specific learning interact in the realization of classroom learning.

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.

Deformation bands, the LEDS theory, and their importance in texture development: Part II. Theoretical conclusions

NASA Astrophysics Data System (ADS)

Kuhlmann-Wilsdorf, D.

1999-09-01

The facts regarding “regular” deformation bands (DBs) outlined in Part I of this series of articles are related to the low-energy dislocation structure (LEDS) theory of dislocation-based plasticity. They prompt an expansion of the theory by including the stresses due to strain gradients on account of changing selections of slip systems to the previously known dislocation driving forces. This last and until now neglected driving force is much smaller than the components considered hitherto, principally due to the applied stress and to mutual stress-screening among neighbor dislocations. As a result, it permits a near-proof of the LEDS hypothesis, to wit that among all structures which, in principle, are accessible to the dislocations, that one is realized which has the lowest free energy. Specifically, the temperature rises that would result from annihilating the largest DBs amount to only several millidegrees Centigrade, meaning that they, and by implication the entire dislocation structures, are close to thermodynamical equilibrium. This is in stark contrast to the assumption of the presently widespread self-organizing dislocation structures (SODS) modeling that plastic deformation occurs far from equilibrium and is subject to Prigogine’s thermodynamics of energy-flow-through systems. It also holds out promise for future rapid advances in the construction of constitutive equations, since the LEDS hypothesis is the principal basis of the LEDS theory of plastic deformation and follows directly from the second law of thermodynamics in conjunction with Newton’s third law. By contrast, all other known models of metal plasticity are in conflict with the LEDS hypothesis. In regard to texture modeling, the present analysis shows that Taylor’s criterion of minimum plastic work is incorrect and should be replaced by the criterion of minimum free energy in the stressed state. Last, the LEDS hypothesis is but a special case of the more general low-energy structure (LES) hypothesis, applying to plastic deformation independent of the deformation mechanism. It is thus seen that plastic deformation is one of nature’s means to generate order, as a byproduct of the entropy generation when mechanical work is largely converted into heat.

Negative refraction angular characterization in one-dimensional photonic crystals.

PubMed

Lugo, Jesus Eduardo; Doti, Rafael; Faubert, Jocelyn

2011-04-06

Photonic crystals are artificial structures that have periodic dielectric components with different refractive indices. Under certain conditions, they abnormally refract the light, a phenomenon called negative refraction. Here we experimentally characterize negative refraction in a one dimensional photonic crystal structure; near the low frequency edge of the fourth photonic bandgap. We compare the experimental results with current theory and a theory based on the group velocity developed here. We also analytically derived the negative refraction correctness condition that gives the angular region where negative refraction occurs. By using standard photonic techniques we experimentally determined the relationship between incidence and negative refraction angles and found the negative refraction range by applying the correctness condition. In order to compare both theories with experimental results an output refraction correction was utilized. The correction uses Snell's law and an effective refractive index based on two effective dielectric constants. We found good agreement between experiment and both theories in the negative refraction zone. Since both theories and the experimental observations agreed well in the negative refraction region, we can use both negative refraction theories plus the output correction to predict negative refraction angles. This can be very useful from a practical point of view for space filtering applications such as a photonic demultiplexer or for sensing applications.

Negative Refraction Angular Characterization in One-Dimensional Photonic Crystals

PubMed Central

Lugo, Jesus Eduardo; Doti, Rafael; Faubert, Jocelyn

2011-01-01

Background Photonic crystals are artificial structures that have periodic dielectric components with different refractive indices. Under certain conditions, they abnormally refract the light, a phenomenon called negative refraction. Here we experimentally characterize negative refraction in a one dimensional photonic crystal structure; near the low frequency edge of the fourth photonic bandgap. We compare the experimental results with current theory and a theory based on the group velocity developed here. We also analytically derived the negative refraction correctness condition that gives the angular region where negative refraction occurs. Methodology/Principal Findings By using standard photonic techniques we experimentally determined the relationship between incidence and negative refraction angles and found the negative refraction range by applying the correctness condition. In order to compare both theories with experimental results an output refraction correction was utilized. The correction uses Snell's law and an effective refractive index based on two effective dielectric constants. We found good agreement between experiment and both theories in the negative refraction zone. Conclusions/Significance Since both theories and the experimental observations agreed well in the negative refraction region, we can use both negative refraction theories plus the output correction to predict negative refraction angles. This can be very useful from a practical point of view for space filtering applications such as a photonic demultiplexer or for sensing applications. PMID:21494332

Ambulatory Morning Report: A Case-Based Method of Teaching EBM Through Experiential Learning.

PubMed

Luciano, Gina L; Visintainer, Paul F; Kleppel, Reva; Rothberg, Michael B

2016-02-01

Evidence-based medicine (EBM) skills are important to daily practice, but residents generally feel unskilled incorporating EBM into practice. The Kolb experiential learning theory, as applied to curricular planning, offers a unique methodology to help learners build an EBM skill set based on clinical experiences. We sought to blend the learner-centered, case-based merits of the morning report with an experientially based EBM curriculum. We describe and evaluate a patient-centered ambulatory morning report combining the User's Guides to the Medical Literature approach to EBM and experiential learning theory in the internal medicine department at Baystate Medical Center. The Kolb experiential learning theory postulates that experience transforms knowledge; within that premise we designed a curriculum to build EBM skills incorporating residents' patient encounters. By developing structured clinical questions based on recent clinical problems, residents activate prior knowledge. Residents acquire new knowledge through selection and evaluation of an article that addresses the structured clinical questions. Residents then apply and use new knowledge in future patient encounters. To assess the curriculum, we designed an 18-question EBM test, which addressed applied knowledge and EBM skills based on the User's Guides approach. Of the 66 residents who could participate in the curriculum, 61 (92%) completed the test. There was a modest improvement in EBM knowledge, primarily during the first year of training. Our experiential curriculum teaches EBM skills essential to clinical practice. The curriculum differs from traditional EBM curricula in that ours blends experiential learning with an EBM skill set; learners use new knowledge in real time.

Brouwer Award Lecture: Anelastic tides of close-in satellites and exoplanets

NASA Astrophysics Data System (ADS)

Ferraz-Mello, Sylvio

2016-05-01

This lecture reviews a new theory of the anelastic tides of celestial bodies in which the deformation of the body is the result of a Newtonian creep inversely proportional to the viscosity of the body and, along each radius, directly proportional to the distance from the actual surface of the body to the equilibrium. The first version of the theory (AAS/DDA 2012; CeMDA 2013), was restricted to homogeneous bodies. It was applied to many different bodies as the Moon, Mercury, super-Earths and hot Jupiters. An improved version (AAS/DDA 2014) included also the loss of angular momentum due to stellar winds and was applied to the study of the rotational evolution of active stars hosting massive companions. One more recent version (Folonier et al. AAS/DDA 2013; DPS 2015) allowed for the consideration of layered structures and was applied to Titan and Mercury. The resulting anelastic tides depend on the nature of the considered body. In the case of low-viscosity bodies (high relaxation factor), as gaseous planets and stars, the results are nearly the same of Darwin's theory. For instance, in these cases the dissipation grows proportionally to the tidal frequency. In the case of high-viscosity rocky satellites and planets (low relaxation factor), the results are structurally different: the dissipation varies with the tidal frequency following an inverse power law and the rotation may be driven to several attractors whose frequencies are 1/2, 1, 3/2, 2, 5/2,… times the orbital mean-motion, even when no permanent triaxiality exists.

Uncovering the structure of (super)conformal field theories

NASA Astrophysics Data System (ADS)

Liendo, Pedro

Conformal field theories (CFTs) are of central importance in modern theoretical physics, with applications that range from condensed matter physics to particle theory phenomenology. In this Ph.D. thesis we study CFTs from two somehow orthogonal (but complementary) points of view. In the first approach we concentrate our efforts in two specific examples: the Veneziano limit of N = 2 and N = 1 superconformal QCD. The addition of supersymmetry makes these theories amenable to analytical analysis. In particular, we use the correspondence between single trace operators and states of a spin chain to study the integrability properties of each theory. Our results indicate that these theories are not completely integrable, but they do contain some subsectors in which integrability might hold. In the second approach, we consider the so-called "bootstrap program'', which is the ambitious idea that the restrictions imposed by conformal symmetry (crossing symmetry in particular) are so powerful that starting from a few basic assumptions one should be able to fix the form of a theory. In this thesis we apply bootstrap techniques to CFTs in the presence of a boundary. We study two-point functions using analytical and numerical methods. One-loop results were re-obtained from crossing symmetry alone and a variety of numerical bounds for conformal dimensions of operators were obtained. These bounds are quite general and valid for any CFT in the presence of a boundary, in contrast to our first approach where a specific set of theories was studied. A natural continuation of this work is to apply bootstrap techniques to supersymmetric theories. Some preliminary results along these lines are presented.

Applying the expectancy disconfirmation and regret theories to online consumer behavior.

PubMed

Liao, Chechen; Liu, Chuang-Chun; Liu, Yu-Ping; To, Pui-Lai; Lin, Hong-Nan

2011-04-01

This study synthesizes the expectancy disconfirmation theory with empirical theories pertaining to customer regret in an e-commerce environment. The study begins by examining the roles that information quality (IQ), system quality (SYQ), and service quality (SEQ) play in determining customer regret and satisfaction. Then the consequences of regret and satisfaction on reuse intention are examined. Survey data collected from 445 respondents are analyzed using structural equation modeling with partial least squares (PLS-Graph 3.0) to provide support for the hypothesized links. Results show that IQ disconfirmation, SYQ disconfirmation and SEQ disconfirmation are related to regret and satisfaction. Both regret and satisfaction are related to reuse intention. In addition, satisfaction mediates the effect of regret on reuse intention. Based on these results, implications for theory and practice are discussed.

Differences in game reading between selected and non-selected youth soccer players.

PubMed

Den Hartigh, Ruud J R; Van Der Steen, Steffie; Hakvoort, Bas; Frencken, Wouter G P; Lemmink, Koen A P M

2018-02-01

Applying an established theory of cognitive development-Skill Theory-the current study compares the game-reading skills of youth players selected for a soccer school of a professional soccer club (n = 49) and their non-selected peers (n = 38). Participants described the actions taking place in videos of soccer game plays, and their verbalisations were coded using Skill Theory. Compared to the non-selected players, the selected players generally demonstrated higher levels of complexity in their game-reading, and structured the information of game elements-primarily the player, teammate and field-at higher complexity levels. These results demonstrate how Skill Theory can be used to assess, and distinguish game-reading of youth players with different expertise, a skill important for soccer, but also for other sports.

The analytic structure of conformal blocks and the generalized Wilson-Fisher fixed points

DOE PAGES

Gliozzi, Ferdinando; Guerrieri, Andrea L.; Petkou, Anastasios C.; ...

2017-04-11

Here, we describe in detail the method used in our previous work arXiv:1611.10344 to study the Wilson-Fisher critical points nearby generalized free CFTs, exploiting the analytic structure of conformal blocks as functions of the conformal dimension of the exchanged operator. Our method is equivalent to the mechanism of conformal multiplet recombination set up by null states. We also compute, to the first non-trivial order in the ε-expansion, the anomalous dimensions and the OPE coefficients of infinite classes of scalar local operators using just CFT data. We study single-scalar and O(N)-invariant theories, as well as theories with multiple deformations. When availablemore » we agree with older results, but we also produce a wealth of new ones. Furthermore, unitarity and crossing symmetry are not used in our approach and we are able to apply our method to non-unitary theories as well. Some implications of our results for the study of the non-unitary theories containing partially conserved higher-spin currents are briefly mentioned.« less

A general mixture equation of state for double bonding carboxylic acids with ≥2 association sites

NASA Astrophysics Data System (ADS)

Marshall, Bennett D.

2018-05-01

In this paper, we obtain the first general multi-component solution to Wertheim's thermodynamic perturbation theory for the case that molecules can participate in cyclic double bonds. In contrast to previous authors, we do not restrict double bonding molecules to a 2-site association scheme. Each molecule in a multi-component mixture can have an arbitrary number of donor and acceptor association sites. The one restriction on the theory is that molecules can have at most one pair of double bonding sites. We also incorporate the effect of hydrogen bond cooperativity in cyclic double bonds. We then apply this new association theory to 2-site and 3-site models for carboxylic acids within the polar perturbed chain statistical associating fluid theory equation of state. We demonstrate the accuracy of the approach by comparison to both pure and multi-component phase equilibria data. It is demonstrated that the 3-site association model gives substantially a different hydrogen bonding structure than a 2-site approach. We also demonstrate that inclusion of hydrogen bond cooperativity has a substantial effect on a liquid phase hydrogen bonding structure.

An Algebraic Approach to the Study and Optimization of the Set of Rules of a Conditional Rewrite System

NASA Astrophysics Data System (ADS)

Makhortov, S. D.

2018-03-01

An algebraic system containing the semantics of a set of rules of the conditional equational theory (or the conditional term rewriting system) is introduced. The following basic questions are considered for the given model: existence of logical closure, structure of logical closure, possibility of equivalent transformations, and construction of logical reduction. The obtained results can be applied to the analysis and automatic optimization of the corresponding set of rules. The basis for the given research is the theory of lattices and binary relations.

Calculating degree-based topological indices of dominating David derived networks

NASA Astrophysics Data System (ADS)

Ahmad, Muhammad Saeed; Nazeer, Waqas; Kang, Shin Min; Imran, Muhammad; Gao, Wei

2017-12-01

An important area of applied mathematics is the Chemical reaction network theory. The behavior of real world problems can be modeled by using this theory. Due to applications in theoretical chemistry and biochemistry, it has attracted researchers since its foundation. It also attracts pure mathematicians because it involves interesting mathematical structures. In this report, we compute newly defined topological indices, namely, Arithmetic-Geometric index (AG1 index), SK index, SK1 index, and SK2 index of the dominating David derived networks [1, 2, 3, 4, 5].

Theory of the special Smith-Purcell radiation from a rectangular grating

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

Liu, Weihao, E-mail: liuwhao@ustc.edu.cn; He, Zhigang, E-mail: hezhg@ustc.edu.cn; Jia, Qika

2015-12-15

The recently uncovered special Smith-Purcell radiation (S-SPR) from the rectangular grating has significantly higher intensity than the ordinary Smith-Purcell radiation (SPR). Its monochromaticity and directivity are also much better. Here we explored the mechanism of the S-SPR by applying the fundamental electromagnetic theory and simulations. We have confirmed that the S-SPR is exactly from the radiating eigen modes of the grating. Its frequency and direction are well correlated with the beam velocity and structure parameters, which indicates its promising applications in tunable wave generation and beam diagnostic.

Experimental evidence and structural modeling of nonstoichiometric (010) surfaces coexisting in hydroxyapatite nano-crystals.

PubMed

Ospina, C A; Terra, J; Ramirez, A J; Farina, M; Ellis, D E; Rossi, A M

2012-01-01

High-resolution transmission electron microscopy (HRTEM) and ab initio quantum-mechanical calculations of electronic structure were combined to investigate the structure of the hydroxyapatite (HA) (010) surface, which plays an important role in HA interactions with biological media. HA was synthesized by in vitro precipitation at 37°C. HRTEM images revealed thin elongated rod nanoparticles with preferential growth along the [001] direction and terminations parallel to the (010) plane. The focal series reconstruction (FSR) technique was applied to develop an atomic-scale structural model of the high-resolution images. The HRTEM simulations identified the coexistence of two structurally distinct terminations for (010) surfaces: a rather flat Ca(II)-terminated surface and a zig-zag structure with open OH channels. Density functional theory (DFT) was applied in a periodic slab plane-wave pseudopotential approach to refine details of atomic coordination and bond lengths of Ca(I) and Ca(II) sites in hydrated HA (010) surfaces, starting from the HRTEM model. Copyright © 2011 Elsevier B.V. All rights reserved.

Optical application of electrowetting

NASA Astrophysics Data System (ADS)

He, Mei; Peng, Runling; Chen, Jiabi

2017-02-01

Since electrowetting has been proposed, researchers began to apply eletrowetting into different fields, such as lab-on-chip systems, display technologies, printings and optics etc. This paper mainly introduced structure, theory and application of optical devices based on electrowetting. The optical devices include liquid optical prism, liquid optical lens and display. The paper introduced their principle, specific application and many advantages in optical applications. When they are applied to optical system, production and experiment, they can reduce mechanical moving parts, simplify the structure, operate easily, decrease manufacturing cost and energy consumption, improve working efficiency, and so on. We learn and research them in detail that will contribute to research and develop optical eletrowetting in the future.

Registering Cortical Surfaces Based on Whole-Brain Structural Connectivity and Continuous Connectivity Analysis

PubMed Central

Gutman, Boris; Leonardo, Cassandra; Jahanshad, Neda; Hibar, Derrek; Eschen-burg, Kristian; Nir, Talia; Villalon, Julio; Thompson, Paul

2014-01-01

We present a framework for registering cortical surfaces based on tractography-informed structural connectivity. We define connectivity as a continuous kernel on the product space of the cortex, and develop a method for estimating this kernel from tractography fiber models. Next, we formulate the kernel registration problem, and present a means to non-linearly register two brains’ continuous connectivity profiles. We apply theoretical results from operator theory to develop an algorithm for decomposing the connectome into its shared and individual components. Lastly, we extend two discrete connectivity measures to the continuous case, and apply our framework to 98 Alzheimer’s patients and controls. Our measures show significant differences between the two groups. PMID:25320795

Nonlocal description of sound propagation through an array of Helmholtz resonators

NASA Astrophysics Data System (ADS)

Nemati, Navid; Kumar, Anshuman; Lafarge, Denis; Fang, Nicholas X.

2015-12-01

A generalized macroscopic nonlocal theory of sound propagation in rigid-framed porous media saturated with a viscothermal fluid has been recently proposed, which takes into account both temporal and spatial dispersion. Here, we consider applying this theory, which enables the description of resonance effects, to the case of sound propagation through an array of Helmholtz resonators whose unusual metamaterial properties, such as negative bulk moduli, have been experimentally demonstrated. Three different calculations are performed, validating the results of the nonlocal theory, related to the frequency-dependent Bloch wavenumber and bulk modulus of the first normal mode, for 1D propagation in 2D or 3D periodic structures. xml:lang="fr"

Analysis of continuously rotating quadrupole focusing channels using generalized Courant-Snyder theory

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

Chung, Moses; Qin, Hong; Gilson, Erik

2013-01-01

By extending the recently developed generalized Courant-Snyder theory for coupled transverse beam dynamics, we have constructed the Gaussian beam distribution and its projections with arbitrary mode emittance ratios. The new formulation has been applied to a continuously-rotating quadrupole focusing channel because the basic properties of this channel are known theoretically and could also be investigated experimentally in a compact setup such as the linear Paul trap configuration. The new formulation retains a remarkably similar mathematical structure to the original Courant-Snyder theory, and thus provides a powerful theoretical tool to investigate coupled transverse beam dynamics in general and more complex linearmore » focusing channels.« less

Analysis of continuously rotating quadrupole focusing channels using generalized Courant-Snyder theory

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

Chung, Moses; Qin, Hong; Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026

2013-08-15

By extending the recently developed generalized Courant-Snyder theory for coupled transverse beam dynamics, we have constructed the Gaussian beam distribution and its projections with arbitrary mode emittance ratios. The new formulation has been applied to a continuously rotating quadrupole focusing channel because the basic properties of this channel are known theoretically and could also be investigated experimentally in a compact setup such as the linear Paul trap configuration. The new formulation retains a remarkably similar mathematical structure to the original Courant-Snyder theory, and thus, provides a powerful theoretical tool to investigate coupled transverse beam dynamics in general and more complexmore » linear focusing channels.« less

First-principles predictions of structural, mechanical and electronic properties of βTiNb under high pressure

NASA Astrophysics Data System (ADS)

Wang, Z. P.; Fang, Q. H.; Li, J.; Liu, B.

2018-04-01

Structural, mechanical and electronic properties of βTiNb alloy under high pressure have been investigated based on the density functional theory (DFT). The dependences of dimensionless volume ratio, elastic constants, bulk modulus, Young's modulus, shear modulus, ductile/brittle, anisotropy and Poisson's ratio on applied pressure are all calculated successfully. The results reveal that βTiNb alloy is mechanically stable under pressure below 23.45 GPa, and the pressure-induced phase transformation could occur beyond this critical value. Meanwhile, the applied pressure can effectively promote the mechanical properties of βTiNb alloy, including the resistances to volume change, elastic deformation and shear deformation, as well as the material ductility and metallicity. Furthermore, the calculated electronic structures testify that βTiNb alloy performs the metallicity and the higher pressure reduces the structural stability of unit cell.

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

PubMed

Kirschbaum, Kristin

2012-01-01

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

Newly-graduated midwives transcending barriers: a grounded theory study.

PubMed

Barry, Michele J; Hauck, Yvonne L; O'Donoghue, Thomas; Clarke, Simon

2013-12-01

Midwifery has developed its own philosophy to formalise its unique identity as a profession. Newly-graduated midwives are taught, and ideally embrace, this philosophy during their education. However, embarking in their career within a predominantly institutionalised and the medically focused health-care model may challenge this application. The research question guiding this study was as follows: 'How do newly graduated midwives deal with applying the philosophy of midwifery in their first six months of practice?' The aim was to generate a grounded theory around this social process. This Western Australian grounded theory study is conceptualised within the social theory of symbolic interactionism. Data were collected by means of in-depth, semi-structured interviews with 11 recent midwifery graduates. Participant and interviewer's journals provided supplementary data. The 'constant comparison' approach was used for data analysis. The substantive theory of transcending barriers was generated. Three stages in transcending barriers were identified: Addressing personal attributes, Understanding the 'bigger picture', and finally, 'Evaluating, planning and acting' to provide woman-centred care. An overview of these three stages provides the focus of this article. The theory of transcending barriers provides a new perspective on how newly-graduated midwives deal with applying the philosophy of midwifery in their first six months of practice. A number of implications for pre and post registration midwifery education and policy development are suggested, as well as recommendations for future research. Copyright © 2013 Elsevier Ltd. All rights reserved.

Uncertainties in Forecasting Streamflow using Entropy Theory

NASA Astrophysics Data System (ADS)

Cui, H.; Singh, V. P.

2017-12-01

Streamflow forecasting is essential in river restoration, reservoir operation, power generation, irrigation, navigation, and water management. However, there is always uncertainties accompanied in forecast, which may affect the forecasting results and lead to large variations. Therefore, uncertainties must be considered and be assessed properly when forecasting streamflow for water management. The aim of our work is to quantify the uncertainties involved in forecasting streamflow and provide reliable streamflow forecast. Despite that streamflow time series are stochastic, they exhibit seasonal and periodic patterns. Therefore, streamflow forecasting entails modeling seasonality, periodicity, and its correlation structure, and assessing uncertainties. This study applies entropy theory to forecast streamflow and measure uncertainties during the forecasting process. To apply entropy theory for streamflow forecasting, spectral analysis is combined to time series analysis, as spectral analysis can be employed to characterize patterns of streamflow variation and identify the periodicity of streamflow. That is, it permits to extract significant information for understanding the streamflow process and prediction thereof. Application of entropy theory for streamflow forecasting involves determination of spectral density, determination of parameters, and extension of autocorrelation function. The uncertainties brought by precipitation input, forecasting model and forecasted results are measured separately using entropy. With information theory, how these uncertainties transported and aggregated during these processes will be described.

Generalization of the Kohn-Sham system that can represent arbitrary one-electron density matrices

DOE PAGES

Hubertus J. J. van Dam

2016-04-27

Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of noninteracting particles, is the workhorse of the theory. The particular form of the Kohn-Sham wave function admits only idempotent one-electron density matrices whereas wave functions of correlated electrons in post-Hartree-Fock methods invariably have fractional occupation numbers. Here we show that by generalizing the orbital concept and introducing a suitable dot product as well as a probability density, a noninteracting system can be chosen that can represent the one-electron density matrix of any system, even one with fractionalmore » occupation numbers. This fictitious system ensures that the exact electron density is accessible within density functional theory. It can also serve as the basis for reduced density matrix functional theory. Moreover, to aid the analysis of the results the orbitals may be assigned energies from a mean-field Hamiltonian. This produces energy levels that are akin to Hartree-Fock orbital energies such that conventional analyses based on Koopmans' theorem are available. Lastly, this system is convenient in formalisms that depend on creation and annihilation operators as they are trivially applied to single-determinant wave functions.« less

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

PubMed

Alleva, Karina; Díez, José; Federico, Lucia

2017-06-01

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

Structures for Facilitating Student Reflection

ERIC Educational Resources Information Center

Grossman, Robert

2009-01-01

The goal of this article is to describe a continuum of levels of reflection. It briefly focuses on Deanna Kuhn's research into the development of scientific thinking and Robert Kegan's Object-Subject Theory of Development applied to the problems of inspiring students to be able to reflect. Assignments for improving students' ability to reflect are…

Application of Rough Sets to Information Retrieval.

ERIC Educational Resources Information Center

Miyamoto, Sadaaki

1998-01-01

Develops a method of rough retrieval, an application of the rough set theory to information retrieval. The aim is to: (1) show that rough sets are naturally applied to information retrieval in which categorized information structure is used; and (2) show that a fuzzy retrieval scheme is induced from the rough retrieval. (AEF)

Neurolinguistic Foundations to Methods of Teaching a Second Language.

ERIC Educational Resources Information Center

Walsh, Terrence M.; Diller, Karl C.

Applied linguistic theory is examined in light of neuroscientific knowledge, especially in regard to the structure and function of the cerebral cortex, in order to illuminate the process and methods of teaching or learning language. Wernicke's Area and Broca's Area are parts of the brain that have been associated with language function.…

A Cybernetic Approach To Study the Learnability of the LOGO Turtle World.

ERIC Educational Resources Information Center

Ippel, Martin J.; Meulemans, Caroline J. M.

1998-01-01

This study of second- and third-grade students in the Netherlands tests the hypothesis that simplification of the semantic structure will facilitate semantic understanding and acquisition of syntax knowledge within the LOGO Turtle World. Two microworlds were designed applying the theory of automata and abstract languages. (Author/LRW)

The Effect of the Cultural Revolution on Educational Homogamy in Urban China

ERIC Educational Resources Information Center

Song, Lijun

2009-01-01

This article demonstrates that the Cultural Revolution led to a temporary decline in educational homogamy in urban China, which was reversed when the Cultural Revolution ended. Previous studies on educational homogamy in China have paid incomplete attention to China's shifting institutional structures. This research applies institutional theory to…

Seeding Evolutionary Thinking by Engaging Children in Modeling Its Foundations

ERIC Educational Resources Information Center

Lehrer, Richard; Schauble, Leona

2012-01-01

Although the core work of science is oriented toward constructing, revising, applying, and defending models of the natural world, models appear only rarely in school science, and usually only as illustrations, rather than theory building tools. We describe the rationale and structure for a learning progression to understand the development of…

Skill Acquisition: Compilation of Weak-Method Problem Solutions.

ERIC Educational Resources Information Center

Anderson, John R.

According to the ACT theory of skill acquisition, cognitive skills are encoded by a set of productions, which are organized according to a hierarchical goal structure. People solve problems in new domains by applying weak problem-solving procedures to declarative knowledge they have about this domain. From these initial problem solutions,…

The Pedagogical Benefits of "SimCity" in Urban Geography Education

ERIC Educational Resources Information Center

Kim, Minsung; Shin, Jungyeop

2016-01-01

This article investigated the pedagogical potential of the "SimCity" simulation game in an urban geography course. University students used "SimCity" to build their own cities and applied a wide range of theories to support their urban structures. Moreover, the students critically evaluated the logic and functioning of the…

Social Change and Anomie: A Cross-National Study

ERIC Educational Resources Information Center

Zhao, Ruohui; Cao, Liqun

2010-01-01

We apply Durkheim's social transitional theory to explain the variation of anomie in 30 nations in the world. Combining data from two sources--the 1995 "World Values Survey and the United Nations University's World Income Inequality Database" or WIID--we test the hypothesis that rapid sociopolitical change at the structural level disrupts social…

"No One Taught Me the Steps": Latinos' Experiences Applying to Graduate School

ERIC Educational Resources Information Center

Ramirez, Elvia

2011-01-01

Based on in-depth qualitative interviews, this study examined Latinos' graduate school choice process. Grounded in intersectionality and social and cultural capital theories, this study examined barriers and support structures encountered by Latinos as they navigate through the graduate school application phase. Findings reveal that lack of access…

Psychometric Evaluation of the Overexcitability Questionnaire-Two Applying Bayesian Structural Equation Modeling (BSEM) and Multiple-Group BSEM-Based Alignment with Approximate Measurement Invariance

PubMed Central

De Bondt, Niki; Van Petegem, Peter

2015-01-01

The Overexcitability Questionnaire-Two (OEQ-II) measures the degree and nature of overexcitability, which assists in determining the developmental potential of an individual according to Dabrowski's Theory of Positive Disintegration. Previous validation studies using frequentist confirmatory factor analysis, which postulates exact parameter constraints, led to model rejection and a long series of model modifications. Bayesian structural equation modeling (BSEM) allows the application of zero-mean, small-variance priors for cross-loadings, residual covariances, and differences in measurement parameters across groups, better reflecting substantive theory and leading to better model fit and less overestimation of factor correlations. Our BSEM analysis with a sample of 516 students in higher education yields positive results regarding the factorial validity of the OEQ-II. Likewise, applying BSEM-based alignment with approximate measurement invariance, the absence of non-invariant factor loadings and intercepts across gender is supportive of the psychometric quality of the OEQ-II. Compared to males, females scored significantly higher on emotional and sensual overexcitability, and significantly lower on psychomotor overexcitability. PMID:26733931

Psychometric Evaluation of the Overexcitability Questionnaire-Two Applying Bayesian Structural Equation Modeling (BSEM) and Multiple-Group BSEM-Based Alignment with Approximate Measurement Invariance.

PubMed

De Bondt, Niki; Van Petegem, Peter

2015-01-01

The Overexcitability Questionnaire-Two (OEQ-II) measures the degree and nature of overexcitability, which assists in determining the developmental potential of an individual according to Dabrowski's Theory of Positive Disintegration. Previous validation studies using frequentist confirmatory factor analysis, which postulates exact parameter constraints, led to model rejection and a long series of model modifications. Bayesian structural equation modeling (BSEM) allows the application of zero-mean, small-variance priors for cross-loadings, residual covariances, and differences in measurement parameters across groups, better reflecting substantive theory and leading to better model fit and less overestimation of factor correlations. Our BSEM analysis with a sample of 516 students in higher education yields positive results regarding the factorial validity of the OEQ-II. Likewise, applying BSEM-based alignment with approximate measurement invariance, the absence of non-invariant factor loadings and intercepts across gender is supportive of the psychometric quality of the OEQ-II. Compared to males, females scored significantly higher on emotional and sensual overexcitability, and significantly lower on psychomotor overexcitability.

On the Opening of Thick Walled Elastic Tubes: A Fluid-Structure Model for Acid Reflux

NASA Astrophysics Data System (ADS)

Ghosh, Sudip; Kahrilas, Peter

2005-11-01

A coupled fluid-structure mathematical model was developed to quantify rapid opening of thick-walled elastic tubes, a phenomenon underlying biological flows such as gastroesophageal reflux disease (GERD). The wall was modeled using non-linear finite deformation theory to predict space-time radial distention of an axisymmetric tube with luminal fluid flow. Anisotropic azimuthal and longitudinal muscle-induced stresses were incorporated, and interstitial material properties were assumed isotropic and linearly elastic. Fluid flow was modeled using lubrication theory with inertial correction. Opening and flow were driven by a specified inflow pressure and zero pressure gradient was specified at outflow. No-slip and surface force balance were applied at the fluid-wall interface. Viscoelasticity was modeled with ad hoc damping and the evolution of the tube geometry was predicted at mid-layer. A potentially important discovery was made when applied to studies of initiation of opening with GERD: while material stiffness is of minor consequence, small changes in resting lumen distension (˜2 mm diameter) may be a sensitive distinguishing feature of the disease.

Unique sodium phosphosilicate glasses designed through extended topological constraint theory.

PubMed

Zeng, Huidan; Jiang, Qi; Liu, Zhao; Li, Xiang; Ren, Jing; Chen, Guorong; Liu, Fude; Peng, Shou

2014-05-15

Sodium phosphosilicate glasses exhibit unique properties with mixed network formers, and have various potential applications. However, proper understanding on the network structures and property-oriented methodology based on compositional changes are lacking. In this study, we have developed an extended topological constraint theory and applied it successfully to analyze the composition dependence of glass transition temperature (Tg) and hardness of sodium phosphosilicate glasses. It was found that the hardness and Tg of glasses do not always increase with the content of SiO2, and there exist maximum hardness and Tg at a certain content of SiO2. In particular, a unique glass (20Na2O-17SiO2-63P2O5) exhibits a low glass transition temperature (589 K) but still has relatively high hardness (4.42 GPa) mainly due to the high fraction of highly coordinated network former Si((6)). Because of its convenient forming and manufacturing, such kind of phosphosilicate glasses has a lot of valuable applications in optical fibers, optical amplifiers, biomaterials, and fuel cells. Also, such methodology can be applied to other types of phosphosilicate glasses with similar structures.

Long-range dipolar order and dispersion forces in polar liquids

NASA Astrophysics Data System (ADS)

Besford, Quinn Alexander; Christofferson, Andrew Joseph; Liu, Maoyuan; Yarovsky, Irene

2017-11-01

Complex solvation phenomena, such as specific ion effects, occur in polar liquids. Interpretation of these effects in terms of structure and dispersion forces will lead to a greater understanding of solvation. Herein, using molecular dynamics, we probe the structure of polar liquids through specific dipolar pair correlation functions that contribute to the potential of mean force that is "felt" between thermally rotating dipole moments. It is shown that unique dipolar order exists at separations at least up to 20 Å for all liquids studied. When the structural order is compared with a dipolar dispersion force that arises from local co-operative enhancement of dipole moments, a strong agreement is found. Lifshitz theory of dispersion forces was compared with the structural order, where the theory is validated for all liquids that do not have significant local dipole correlations. For liquids that do have significant local dipole correlations, specifically liquid water, Lifshitz theory underestimates the dispersion force by a factor of 5-10, demonstrating that the force that leads to the increased structure in liquid water is missed by Lifshitz theory of van der Waals forces. We apply similar correlation functions to an ionic aqueous system, where long-range order between water's dipole moment and a single chloride ion is found to exist at 20 Å of separation, revealing a long-range perturbation of water's structure by an ion. Furthermore, we found that waters within the 1st, 2nd, and 3rd solvation shells of a chloride ion exhibit significantly enhanced dipolar interactions, particularly with waters at larger distances of separation. Our results provide a link between structures, dispersion forces, and specific ion effects, which may lead to a more robust understanding of solvation.

Implicit leadership theories in applied settings: factor structure, generalizability, and stability over time.

PubMed

Epitropaki, Olga; Martin, Robin

2004-04-01

The present empirical investigation had a 3-fold purpose: (a) to cross-validate L. R. Offermann, J. K. Kennedy, and P. W. Wirtz's (1994) scale of Implicit Leadership Theories (ILTs) in several organizational settings and to further provide a shorter scale of ILTs in organizations; (b) to assess the generalizability of ILTs across different employee groups, and (c) to evaluate ILTs' change over time. Two independent samples were used for the scale validation (N1 = 500 and N2 = 439). A 6-factor structure (Sensitivity, Intelligence, Dedication, Dynamism, Tyranny, and Masculinity) was found to most accurately represent ELTs in organizational settings. Regarding the generalizability of ILTs, although the 6-factor structure was consistent across different employee groups, there was only partial support for total factorial invariance. Finally, evaluation of gamma, beta, and alpha change provided support for ILTs' stability over time.

Curvature-driven morphing of non-Euclidean shells

NASA Astrophysics Data System (ADS)

Pezzulla, Matteo; Stoop, Norbert; Jiang, Xin; Holmes, D. P.

2017-05-01

We investigate how thin structures change their shape in response to non-mechanical stimuli that can be interpreted as variations in the structure's natural curvature. Starting from the theory of non-Euclidean plates and shells, we derive an effective model that reduces a three-dimensional stimulus to the natural fundamental forms of the mid-surface of the structure, incorporating expansion, or growth, in the thickness. Then, we apply the model to a variety of thin bodies, from flat plates to spherical shells, obtaining excellent agreement between theory and numerics. We show how cylinders and cones can either bend more or unroll, and eventually snap and rotate. We also study the nearly isometric deformations of a spherical shell and describe how this shape change is ruled by the geometry of a spindle. As the derived results stem from a purely geometrical model, they are general and scalable.

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

NASA Technical Reports Server (NTRS)

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

2013-01-01

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

Spin structure of electron subbands in (110)-grown quantum wells

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

Nestoklon, M. O.; Tarasenko, S. A.; Jancu, J.-M.

We present the theory of fine structure of electron states in symmetric and asymmetric zinc-blende-type quantum wells with the (110) crystallographic orientation. By combining the symmetry analysis, sp{sup 3}d{sup 5}s* tight-binding method, and envelope-function approach we obtain quantitative description of in-plane wave vector, well width and applied electric field dependencies of the zero-magnetic-field spin splitting of electron subbands and extract spin-orbit-coupling parameters.

Scale-covariant theory of gravitation and astrophysical applications

NASA Technical Reports Server (NTRS)

Canuto, V.; Adams, P. J.; Hsieh, S.-H.; Tsiang, E.

1977-01-01

A scale-covariant theory of gravitation is presented which is characterized by a set of equations that are complete only after a choice of the scale function is made. Special attention is given to gauge conditions and units which allow gravitational phenomena to be described in atomic units. The generalized gravitational-field equations are derived by performing a direct scale transformation, by extending Riemannian geometry to Weyl geometry through the introduction of the notion of cotensors, and from a variation principle. Modified conservation laws are provided, a set of dynamical equations is obtained, and astrophysical consequences are considered. The theory is applied to examine certain homogeneous cosmological solutions, perihelion shifts, light deflections, secular variations of planetary orbital elements, stellar structure equations for a star in quasi-static equilibrium, and the past thermal history of earth. The possible relation of the scale-covariant theory to gauge field theories and their predictions of cosmological constants is discussed.

A reflection on theories of light

NASA Astrophysics Data System (ADS)

Quehenberger, R. C. Z.

2012-12-01

Insights into the foundations of quantum theory, including the wave-particle duality of light as developed in the last century, raise several questions. How can we imagine light both as wave and particle? What is a particle? How can we make comprehensible the phenomenon of light as elec-tromagnetic distortion, incorporating the ideas of Maxwell, Faraday and especially Theodor Kaluza, who placed light in 5-dimensional space? We investigate a 3D digital dynamic geometrical model applied to theories of light in order to provide a visual access for a better mathematical understanding. Hence to achieve this convergence of theories, we examine experimental facts of the famous entangled photon picture and theories of lines of force with AR methods to bring together the notion of "light quanta" and their connection to a discrete space structure in 5D. Examples of 3D animation are here depicted as still frames.

How do Small Groups Promote Behaviour Change? An Integrative Conceptual Review of Explanatory Mechanisms.

PubMed

Borek, Aleksandra J; Abraham, Charles

2018-03-01

Small groups are used to promote health, well-being, and personal change by altering members' perceptions, beliefs, expectations, and behaviour patterns. An extensive cross-disciplinary literature has articulated and tested theories explaining how such groups develop, function, and facilitate change. Yet these theoretical understandings are rarely applied in the development, description, and evaluation of health-promotion, group-based, behaviour-change interventions. Medline database, library catalogues, search engines, specific journals and reference lists were searched for relevant texts. Texts were reviewed for explanatory concepts or theories describing change processes in groups, which were integrated into the developing conceptual structure. This was designed to be a parsimonious conceptual framework that could be applied to design and delivery. Five categories of interacting processes and concepts were identified and defined: (1) group development processes, (2) dynamic group processes, (3) social change processes, (4) personal change processes, and (5) group design and operating parameters. Each of these categories encompasses a variety of theorised mechanisms explaining individual change in small groups. The final conceptual model, together with the design issues and practical recommendations derived from it, provides a practical basis for linking research and theory explaining group functioning to optimal design of group-based, behaviour-change interventions. © 2018 The Authors. Applied Psychology: Health and Well-Being published by John Wiley & Sons Ltd on behalf of International Association of Applied Psychology.

Active Vibration Control of a Railway Vehicle Carbody Using Piezoelectric Elements

NASA Astrophysics Data System (ADS)

Molatefi, Habibollah; Ayoubi, Pejman; Mozafari, Hozhabr

2017-07-01

In recent years and according to modern transportation development, rail vehicles are manufactured lighter to achieve higher speed and lower transportation costs. On the other hand, weight reduction of rail vehicles leads to increase the structural vibration. In this study, Active Vibration Control of a rail vehicle using piezoelectric elements is investigated. The optimal control employed as the control approach regard to the first two modes of vibration. A simplified Car body structure is modeled in Matlab using the finite element theory by considering six DOF beam element and then the Eigen functions and mode shapes are derived. The surface roughness of different classes of rail tracks have been obtained using random vibration theory and applied to the secondary suspension as the excitation of the structure; Then piezoelectric mounted where the greatest moments were captured. The effectiveness of Piezoelectric in structural vibrations attenuation of car body is demonstrated through the state space equations and its effect on modal coefficient.

Dual coding: a cognitive model for psychoanalytic research.

PubMed

Bucci, W

1985-01-01

Four theories of mental representation derived from current experimental work in cognitive psychology have been discussed in relation to psychoanalytic theory. These are: verbal mediation theory, in which language determines or mediates thought; perceptual dominance theory, in which imagistic structures are dominant; common code or propositional models, in which all information, perceptual or linguistic, is represented in an abstract, amodal code; and dual coding, in which nonverbal and verbal information are each encoded, in symbolic form, in separate systems specialized for such representation, and connected by a complex system of referential relations. The weight of current empirical evidence supports the dual code theory. However, psychoanalysis has implicitly accepted a mixed model-perceptual dominance theory applying to unconscious representation, and verbal mediation characterizing mature conscious waking thought. The characterization of psychoanalysis, by Schafer, Spence, and others, as a domain in which reality is constructed rather than discovered, reflects the application of this incomplete mixed model. The representations of experience in the patient's mind are seen as without structure of their own, needing to be organized by words, thus vulnerable to distortion or dissolution by the language of the analyst or the patient himself. In these terms, hypothesis testing becomes a meaningless pursuit; the propositions of the theory are no longer falsifiable; the analyst is always more or less "right." This paper suggests that the integrated dual code formulation provides a more coherent theoretical framework for psychoanalysis than the mixed model, with important implications for theory and technique. In terms of dual coding, the problem is not that the nonverbal representations are vulnerable to distortion by words, but that the words that pass back and forth between analyst and patient will not affect the nonverbal schemata at all. Using the dual code formulation, and applying an investigative methodology derived from experimental cognitive psychology, a new approach to the verification of interpretations is possible. Some constructions of a patient's story may be seen as more accurate than others, by virtue of their linkage to stored perceptual representations in long-term memory. We can demonstrate that such linking has occurred in functional or operational terms--through evaluating the representation of imagistic content in the patient's speech.

Master equation theory applied to the redistribution of polarized radiation in the weak radiation field limit. IV. Application to the second solar spectrum of the Na I D1 and D2 lines

NASA Astrophysics Data System (ADS)

Bommier, Véronique

2016-06-01

Context. The spectrum of the linear polarization, which is formed by scattering and observed on the solar disk close to the limb, is very different from the intensity spectrum and thus able to provide new information, in particular about anisotropies in the solar surface plasma and magnetic fields. In addition, a large number of lines show far wing polarization structures assigned to partial redistribution (PRD), which we prefer to denote as Rayleigh/Raman scattering. The two-level or two-term atom approximation without any lower level polarization is insufficient for many lines. Aims: In the previous paper of this series, we presented our theory generalized to the multilevel and multiline atom and comprised of statistical equilibrium equations for the atomic density matrix elements and radiative transfer equation for the polarized radiation. The present paper is devoted to applying this theory to model the second solar spectrum of the Na I D1 and D2 lines. Methods: The solution method is iterative, of the lambda-iteration type. The usual acceleration techniques were considered or even applied, but we found these to be unsuccessful, in particular because of nonlinearity or large number of quantities determining the radiation at each depth. Results: The observed spectrum is qualitatively reproduced in line center, but the convergence is yet to be reached in the far wings and the observed spectrum is not totally reproduced there. Conclusions: We need to investigate noniterative resolution methods. The other limitation lies in the one-dimensional (1D) atmosphere model, which is unable to reproduce the intermittent matter structure formed of small loops or spicules in the chromosphere. This modeling is rough, but the computing time in the presence of hyperfine structure and PRD prevents us from envisaging a three-dimensional (3D) model at this instant.

Applying network theory to animal movements to identify properties of landscape space use.

PubMed

Bastille-Rousseau, Guillaume; Douglas-Hamilton, Iain; Blake, Stephen; Northrup, Joseph M; Wittemyer, George

2018-04-01

Network (graph) theory is a popular analytical framework to characterize the structure and dynamics among discrete objects and is particularly effective at identifying critical hubs and patterns of connectivity. The identification of such attributes is a fundamental objective of animal movement research, yet network theory has rarely been applied directly to animal relocation data. We develop an approach that allows the analysis of movement data using network theory by defining occupied pixels as nodes and connection among these pixels as edges. We first quantify node-level (local) metrics and graph-level (system) metrics on simulated movement trajectories to assess the ability of these metrics to pull out known properties in movement paths. We then apply our framework to empirical data from African elephants (Loxodonta africana), giant Galapagos tortoises (Chelonoidis spp.), and mule deer (Odocoileous hemionus). Our results indicate that certain node-level metrics, namely degree, weight, and betweenness, perform well in capturing local patterns of space use, such as the definition of core areas and paths used for inter-patch movement. These metrics were generally applicable across data sets, indicating their robustness to assumptions structuring analysis or strategies of movement. Other metrics capture local patterns effectively, but were sensitive to specified graph properties, indicating case specific applications. Our analysis indicates that graph-level metrics are unlikely to outperform other approaches for the categorization of general movement strategies (central place foraging, migration, nomadism). By identifying critical nodes, our approach provides a robust quantitative framework to identify local properties of space use that can be used to evaluate the effect of the loss of specific nodes on range wide connectivity. Our network approach is intuitive, and can be implemented across imperfectly sampled or large-scale data sets efficiently, providing a framework for conservationists to analyze movement data. Functions created for the analyses are available within the R package moveNT. © 2018 by the Ecological Society of America.

Reformulating Non-Monotonic Theories for Inference and Updating

NASA Technical Reports Server (NTRS)

Grosof, Benjamin N.

1992-01-01

We aim to help build programs that do large-scale, expressive non-monotonic reasoning (NMR): especially, 'learning agents' that store, and revise, a body of conclusions while continually acquiring new, possibly defeasible, premise beliefs. Currently available procedures for forward inference and belief revision are exhaustive, and thus impractical: they compute the entire non-monotonic theory, then re-compute from scratch upon updating with new axioms. These methods are thus badly intractable. In most theories of interest, even backward reasoning is combinatoric (at least NP-hard). Here, we give theoretical results for prioritized circumscription that show how to reformulate default theories so as to make forward inference be selective, as well as concurrent; and to restrict belief revision to a part of the theory. We elaborate a detailed divide-and-conquer strategy. We develop concepts of structure in NM theories, by showing how to reformulate them in a particular fashion: to be conjunctively decomposed into a collection of smaller 'part' theories. We identify two well-behaved special cases that are easily recognized in terms of syntactic properties: disjoint appearances of predicates, and disjoint appearances of individuals (terms). As part of this, we also definitionally reformulate the global axioms, one by one, in addition to applying decomposition. We identify a broad class of prioritized default theories, generalizing default inheritance, for which our results especially bear fruit. For this asocially monadic class, decomposition permits reasoning to be localized to individuals (ground terms), and reduced to propositional. Our reformulation methods are implementable in polynomial time, and apply to several other NM formalisms beyond circumscription.

Advanced Learning Theories Applied to Leadership Development

DTIC Science & Technology

2006-11-01

Theory . We combined the cognitive , experiential and motivational components of advanced learning theories to develop a training application...Center for Army Leadership Technical Report 2006-2 Advanced Learning Theories Applied to Leadership Development Christina Curnow...2006 5a. CONTRACT NUMBER W91QF4-05-F-0026 5b. GRANT NUMBER 4. TITLE AND SUBTITLE Advanced Learning Theories Applied to Leadership Development 5c

Restructuring consciousness –the psychedelic state in light of integrated information theory

PubMed Central

Gallimore, Andrew R.

2015-01-01

The psychological state elicited by the classic psychedelics drugs, such as LSD and psilocybin, is one of the most fascinating and yet least understood states of consciousness. However, with the advent of modern functional neuroimaging techniques, the effect of these drugs on neural activity is now being revealed, although many of the varied phenomenological features of the psychedelic state remain challenging to explain. Integrated information theory (IIT) is one of the foremost contemporary theories of consciousness, providing a mathematical formalization of both the quantity and quality of conscious experience. This theory can be applied to all known states of consciousness, including the psychedelic state. Using the results of functional neuroimaging data on the psychedelic state, the effects of psychedelic drugs on both the level and structure of consciousness can be explained in terms of the conceptual framework of IIT. This new IIT-based model of the psychedelic state provides an explanation for many of its phenomenological features, including unconstrained cognition, alterations in the structure and meaning of concepts and a sense of expanded awareness. This model also suggests that whilst cognitive flexibility, creativity, and imagination are enhanced during the psychedelic state, this occurs at the expense of cause-effect information, as well as degrading the brain's ability to organize, categorize, and differentiate the constituents of conscious experience. Furthermore, the model generates specific predictions that can be tested using a combination of functional imaging techniques, as has been applied to the study of levels of consciousness during anesthesia and following brain injury. PMID:26124719

Structural Behavioral Study on the General Aviation Network Based on Complex Network

NASA Astrophysics Data System (ADS)

Zhang, Liang; Lu, Na

2017-12-01

The general aviation system is an open and dissipative system with complex structures and behavioral features. This paper has established the system model and network model for general aviation. We have analyzed integral attributes and individual attributes by applying the complex network theory and concluded that the general aviation network has influential enterprise factors and node relations. We have checked whether the network has small world effect, scale-free property and network centrality property which a complex network should have by applying degree distribution of functions and proved that the general aviation network system is a complex network. Therefore, we propose to achieve the evolution process of the general aviation industrial chain to collaborative innovation cluster of advanced-form industries by strengthening network multiplication effect, stimulating innovation performance and spanning the structural hole path.

Application of network methods for understanding evolutionary dynamics in discrete habitats.

PubMed

Greenbaum, Gili; Fefferman, Nina H

2017-06-01

In populations occupying discrete habitat patches, gene flow between habitat patches may form an intricate population structure. In such structures, the evolutionary dynamics resulting from interaction of gene-flow patterns with other evolutionary forces may be exceedingly complex. Several models describing gene flow between discrete habitat patches have been presented in the population-genetics literature; however, these models have usually addressed relatively simple settings of habitable patches and have stopped short of providing general methodologies for addressing nontrivial gene-flow patterns. In the last decades, network theory - a branch of discrete mathematics concerned with complex interactions between discrete elements - has been applied to address several problems in population genetics by modelling gene flow between habitat patches using networks. Here, we present the idea and concepts of modelling complex gene flows in discrete habitats using networks. Our goal is to raise awareness to existing network theory applications in molecular ecology studies, as well as to outline the current and potential contribution of network methods to the understanding of evolutionary dynamics in discrete habitats. We review the main branches of network theory that have been, or that we believe potentially could be, applied to population genetics and molecular ecology research. We address applications to theoretical modelling and to empirical population-genetic studies, and we highlight future directions for extending the integration of network science with molecular ecology. © 2017 John Wiley & Sons Ltd.

Bootstrapping non-commutative gauge theories from L∞ algebras

NASA Astrophysics Data System (ADS)

Blumenhagen, Ralph; Brunner, Ilka; Kupriyanov, Vladislav; Lüst, Dieter

2018-05-01

Non-commutative gauge theories with a non-constant NC-parameter are investigated. As a novel approach, we propose that such theories should admit an underlying L∞ algebra, that governs not only the action of the symmetries but also the dynamics of the theory. Our approach is well motivated from string theory. We recall that such field theories arise in the context of branes in WZW models and briefly comment on its appearance for integrable deformations of AdS5 sigma models. For the SU(2) WZW model, we show that the earlier proposed matrix valued gauge theory on the fuzzy 2-sphere can be bootstrapped via an L∞ algebra. We then apply this approach to the construction of non-commutative Chern-Simons and Yang-Mills theories on flat and curved backgrounds with non-constant NC-structure. More concretely, up to the second order, we demonstrate how derivative and curvature corrections to the equations of motion can be bootstrapped in an algebraic way from the L∞ algebra. The appearance of a non-trivial A∞ algebra is discussed, as well.

Advancing the expectancy concept via the interplay between theory and research.

PubMed

Del Boca, Frances K; Darkes, Jack; Goldman, Mark S; Smith, Gregory T

2002-06-01

Four papers from a 2001 Research Society on Alcoholism symposium on expectancy theory and research are summarized. The symposium contributors describe recent advances in expectancy theory and discuss their implications for assessment and for understanding the processes of development and change in the behavioral domain of alcohol use. First, findings are integrated across the diverse domains in which the expectancy concept has been applied. Second, the implications of expectancy theory for the measurement of expectancy structure and process are examined. Third, research and theory regarding alcohol expectancy development and change are presented, with an emphasis on the role of expectancies as mediators of known antecedents of drinking. Finally, an experimental procedure for investigating the causal role of expectancies is described, together with its implications for theory testing and prevention or intervention programming. Collectively, the symposium contributions demonstrate the utility of an integrated expectancy theory for the generation of innovative research operations and new insights regarding behavior development and change. Consistent with the notion of consilience, expectancy theory has demonstrated a convergence of findings across different levels of analysis, as well as across different operations, methods, and research designs.

Testing a social cognitive theory-based model of indoor tanning: implications for skin cancer prevention messages.

PubMed

Noar, Seth M; Myrick, Jessica Gall; Zeitany, Alexandra; Kelley, Dannielle; Morales-Pico, Brenda; Thomas, Nancy E

2015-01-01

The lack of a theory-based understanding of indoor tanning is a major impediment to the development of effective messages to prevent or reduce this behavior. This study applied the Comprehensive Indoor Tanning Expectations (CITE) scale in an analysis of indoor tanning behavior among sorority women (total N = 775). Confirmatory factor analyses indicated that CITE positive and negative expectations were robust, multidimensional factors and that a hierarchical structure fit the data well. Social cognitive theory-based structural equation models demonstrated that appearance-oriented variables were significantly associated with outcome expectations. Outcome expectations were, in turn, significantly associated with temptations to tan, intention to tan indoors, and indoor tanning behavior. The implications of these findings for the development of messages to prevent and reduce indoor tanning behavior are discussed in two domains: (a) messages that attempt to change broader societal perceptions about tan skin, and (b) messages that focus more narrowly on indoor tanning-challenging positive expectations, enhancing negative expectations, and encouraging substitution of sunless tanning products.

Partial molar volume of proteins studied by the three-dimensional reference interaction site model theory.

PubMed

Imai, Takashi; Kovalenko, Andriy; Hirata, Fumio

2005-04-14

The three-dimensional reference interaction site model (3D-RISM) theory is applied to the analysis of hydration effects on the partial molar volume of proteins. For the native structure of some proteins, the partial molar volume is decomposed into geometric and hydration contributions using the 3D-RISM theory combined with the geometric volume calculation. The hydration contributions are correlated with the surface properties of the protein. The thermal volume, which is the volume of voids around the protein induced by the thermal fluctuation of water molecules, is directly proportional to the accessible surface area of the protein. The interaction volume, which is the contribution of electrostatic interactions between the protein and water molecules, is apparently governed by the charged atomic groups on the protein surface. The polar atomic groups do not make any contribution to the interaction volume. The volume differences between low- and high-pressure structures of lysozyme are also analyzed by the present method.

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

PubMed

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

2014-07-08

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

Hamiltonian analysis for linearly acceleration-dependent Lagrangians

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

Cruz, Miguel, E-mail: miguelcruz02@uv.mx, E-mail: roussjgc@gmail.com, E-mail: molgado@fc.uaslp.mx, E-mail: efrojas@uv.mx; Gómez-Cortés, Rosario, E-mail: miguelcruz02@uv.mx, E-mail: roussjgc@gmail.com, E-mail: molgado@fc.uaslp.mx, E-mail: efrojas@uv.mx; Rojas, Efraín, E-mail: miguelcruz02@uv.mx, E-mail: roussjgc@gmail.com, E-mail: molgado@fc.uaslp.mx, E-mail: efrojas@uv.mx

2016-06-15

We study the constrained Ostrogradski-Hamilton framework for the equations of motion provided by mechanical systems described by second-order derivative actions with a linear dependence in the accelerations. We stress out the peculiar features provided by the surface terms arising for this type of theories and we discuss some important properties for this kind of actions in order to pave the way for the construction of a well defined quantum counterpart by means of canonical methods. In particular, we analyse in detail the constraint structure for these theories and its relation to the inherent conserved quantities where the associated energies togethermore » with a Noether charge may be identified. The constraint structure is fully analyzed without the introduction of auxiliary variables, as proposed in recent works involving higher order Lagrangians. Finally, we also provide some examples where our approach is explicitly applied and emphasize the way in which our original arrangement results in propitious for the Hamiltonian formulation of covariant field theories.« less

Generalized Wall Function for Complex Turbulent Flows

NASA Technical Reports Server (NTRS)

Shih, Tsan-Hsing; Povinelli, Louis A.; Liu, Nan-Suey; Chen, Kuo-Huey

2000-01-01

A generalized wall function was proposed by Shih et al., (1999). It accounts the effect of pressure gradients on the flow near the wall. Theory shows that the effect of pressure gradients on the flow in the inertial sublayer is very significant and the standard wall function should be replaced by a generalized wall function. Since the theory is also valid for boundary layer flows toward separation, the generalized wall function may be applied to complex turbulent flows with acceleration, deceleration, separation and recirculation. This paper is to verify the generalized wall function with numerical simulations for boundary layer flows with various adverse and favorable pressure gradients, including flows about to separate. Furthermore, a general procedure of implementation of the generalized wall function for National Combustion Code (NCC) is described, it can be applied to both structured and unstructured CFD codes.

Scale Dependend Investigations of the Dynamic State Index Concerning the QG-Theory

NASA Astrophysics Data System (ADS)

Mueller, Annette; Névir, Peter

2017-04-01

The Dynamic State Index (DSI) indicates local deviations of the atmospheric flow field from a steady wind solution based on the primitive equations under adiabatic and inviscid conditions. We represent generalizations of the DSI for reduced models given by the quasi-geostrophic theory and the Rossby-model. By applying a Fourier transformation to the circumpolar geopotential height field we demonstrate the characteristic dipole structure of the DSI-field related to atmospheric waves. Furthermore, by applying data of the COSMO-DE model of the German Weather Service (DWD), we compare the vertical profile of all three DSI-parameters concerning classes with and without precipitation. We work out that the relation to precipitation decreases with increasing approximation, but in all scales, it can be shown that the DSI is highly correlated to diabatic processes.

A dynamic gain equalizer based on holographic polymer dispersed liquid crystal gratings

NASA Astrophysics Data System (ADS)

Xin, Zhaohui; Cai, Jiguang; Shen, Guotu; Yang, Baocheng; Zheng, Jihong; Gu, Lingjuan; Zhuang, Songlin

2006-12-01

The dynamic gain equalizer consisting of gratings made of holographic polymer dispersed liquid crystal is explored and the structure and principle presented. The properties of the holographic polymer dispersed liquid crystal grating are analyzed in light of the rigorous coupled-wave theory. Experimental study is also conducted in which a beam of infrared laser was incident to the grating sample and an alternating current electric field applied. The electro-optical properties of the grating and the influence of the applied field were observed. The results of the experiment agree with that of the theory quite well. The design method of the dynamic gain equalizer with the help of numerical simulation is presented too. The study shows that holographic polymer dispersed liquid crystal gratings have great potential to play a role in fiber optics communication.

Hamiltonian vs Lagrangian Embedding of a Massive Spin-One Theory Involving Two-Form Field

NASA Astrophysics Data System (ADS)

Harikumar, E.; Sivakumar, M.

We consider the Hamiltonian and Lagrangian embedding of a first-order, massive spin-one, gauge noninvariant theory involving antisymmetric tensor field. We apply the BFV-BRST generalized canonical approach to convert the model to a first class system and construct nilpotent BFV-BRST charge and a unitarizing Hamiltonian. The canonical analysis of the Stückelberg formulation of this model is presented. We bring out the contrasting feature in the constraint structure, specifically with respect to the reducibility aspect, of the Hamiltonian and the Lagrangian embedded model. We show that to obtain manifestly covariant Stückelberg Lagrangian from the BFV embedded Hamiltonian, phase space has to be further enlarged and show how the reducible gauge structure emerges in the embedded model.

The theory and application of space microbiology: China's experiences in space experiments and beyond.

PubMed

Liu, Changting

2017-02-01

Microorganisms exhibit high adaptability to extreme environments of outer space via phenotypic and genetic changes. These changes may affect astronauts in the space environment as well as on Earth because mutant microbes will inevitably return with the spacecraft. However, the role and significance of these phenotypic changes and the underlying mechanisms are important unresolved questions in the field of space biology. By reviewing, especially the Chinese studies, we propose a space microbial molecular effect theory, that is, the space environment affects the nature of genes and the molecular structure of microorganisms to produce phenotypic changes. In this review, we discussed three basic theories for the research of space microbiology, including (1) space microbial pathogenicity and virulence mutations and the human mutualism theory; (2) space microbial drug-resistance mutations and metabolism associated with space pharmaceuticals theory; (3) space corrosion, microbial decontamination, and new materials technology theory. © 2016 Society for Applied Microbiology and John Wiley & Sons Ltd.

Tribute to Julian Schwinger

NASA Astrophysics Data System (ADS)

Kohn, Walter

It is a melancholy privilege for me to take part in this symposium in honor of my venerated teacher, Julian Schwinger. All of us here know that his brilliant scientific insights and methodologies have l deep imprints across the entire spectrum of theoretical physics, both pure and applied. No doubt his most outstanding work was his monumental relativistically covariant renormalization theory of quantum electrodynamics; other areas which he substantially reshaped include quantum gauge theories, whose significance he was one of the first to realize; nuclear physics — beginning with his first papers written as a teenager and in which he offered perhaps the first comprehensive lecture course; the theory of waveguides, a powerful reformulation during World War II in terms of tensor Green's functions and variational principles; scattering theory; particle accelerators; and, very broadly, the structure of elementary particle theory…

Liquid Sloshing Dynamics

NASA Astrophysics Data System (ADS)

Ibrahim, Raouf A.

2005-06-01

The problem of liquid sloshing in moving or stationary containers remains of great concern to aerospace, civil, and nuclear engineers; physicists; designers of road tankers and ship tankers; and mathematicians. Beginning with the fundamentals of liquid sloshing theory, this book takes the reader systematically from basic theory to advanced analytical and experimental results in a self-contained and coherent format. The book is divided into four sections. Part I deals with the theory of linear liquid sloshing dynamics; Part II addresses the nonlinear theory of liquid sloshing dynamics, Faraday waves, and sloshing impacts; Part III presents the problem of linear and nonlinear interaction of liquid sloshing dynamics with elastic containers and supported structures; and Part IV considers the fluid dynamics in spinning containers and microgravity sloshing. This book will be invaluable to researchers and graduate students in mechanical and aeronautical engineering, designers of liquid containers, and applied mathematicians.

Gravitational Lenses and the Structure and Evolution of Galaxies

NASA Technical Reports Server (NTRS)

Kochanek, Christopher

2003-01-01

The grant has supported the completion of 16 papers and 4 conference proceedings to date. During the first year of the project we completed five papers, each of which represents a new direction in the theory and interpretation of gravitational lenses. In the first paper, "The Importance of Einstein Rings", we developed the first theory for the formation and structure of the Einstein rings formed by lensing extended sources like the host galaxies of quasar and radio sources. We applied the theory to three lenses with lensed host galaxies. For the time delay lens PG 1115+080 we found that the structure of the Einstein ring ruled out models of the gravitational potential which permitted a large Hubble constant (70 km/s Mpc). In the second paper, :Cusped Mass Models Of Gravitational Lenses", we introduced a new class of lens models where the central density is characterized by a cusp ( rho proportional to tau(sup -gamma), 1 less than gamma less than 2) as in most modern models and theories of galaxies rather than a finite core radius. In the third paper, "Global Probes of the Impact of Baryons on Dark Matter Halos", we made the first globally consistent models for the separation distribution of gravitational lenses including both galaxy and cluster lenses. We show that the key physics for the origin of the sharp separation cutoff in the separation distribution near 3 arc sec is the effect of the cooling baryons in galaxies on the density structure of the system.

DFT applied to the study of carbon-doped zinc-blende (cubic) GaN

NASA Astrophysics Data System (ADS)

Espitia R, M. J.; Ortega-López, C.; Rodríguez Martínez, J. A.

2016-08-01

Employing first principles within the framework of density functional theory, the structural properties, electronic structure, and magnetism of C-doped zincblende (cubic) GaN were investigated. The calculations were carried out using the pseudopotential method, employed exactly as implemented in Quantum ESPRESSO code. For GaC0.0625N0.9375 concentration, a metallic behavior was found. This metallic property comes from the hybridization and polarization of C-2p states and their neighboring N-2p and G-4p states.

Geometrical optics in the near field: local plane-interface approach with evanescent waves.

PubMed

Bose, Gaurav; Hyvärinen, Heikki J; Tervo, Jani; Turunen, Jari

2015-01-12

We show that geometrical models may provide useful information on light propagation in wavelength-scale structures even if evanescent fields are present. We apply a so-called local plane-wave and local plane-interface methods to study a geometry that resembles a scanning near-field microscope. We show that fair agreement between the geometrical approach and rigorous electromagnetic theory can be achieved in the case where evanescent waves are required to predict any transmission through the structure.

To the theory of hybrid modes of the discrete spectrum in finite structures with nanocrystalline films

NASA Astrophysics Data System (ADS)

Kireeva, Anastassiya I.; Rudenok, Igor P.

2018-04-01

The profound research and physical applications of interactions of different types of waves with medium are very important. Particularly the most interesting sphere is for complex environments, which may be characterized by the increasing number of methods. Their objective analysis increased because of great applied significance. For the optical range it comes to considering the structure, the dimensions of the spatial inhomogeneity of which are comparable to the wavelength of the radiation.

The stability of coupled renewal-differential equations with econometric applications

NASA Technical Reports Server (NTRS)

Rhoten, R. P.; Aggarwal, J. K.

1969-01-01

Concepts and results are presented in the fields of mathematical modeling, economics, and stability analysis. A coupled renewal-differential equation structure is presented as a modeling form for systems possessing hereditary characteristics, and this structure is applied to a model of the Austrian theory of business cycles. For realistic conditions, the system is shown to have an infinite number of poles, and conditions are presented which are both necessary and sufficient for all poles to lie strictly in the left half plane.

First-Principles Study of the Electronic Structure and Bonding Properties of X8C46 and X8B6C40 (X: Li, Na, Mg, Ca) Carbon Clathrates

NASA Astrophysics Data System (ADS)

KoleŻyński, Andrzej; Szczypka, Wojciech

2016-03-01

Results from theoretical analysis of the crystal structure, electronic structure, and bonding properties of C46 and B6C40 carbon clathrates doped with selected alkali and alkaline earth metals cations (Li, Na, Mg, Ca) are presented. The ab initio calculations were performed by means of the WIEN2k package (full potential linearized augmented plane wave method (FP-LAPW) within density functional theory (DFT)) with PBESol and modified Becke-Johnson exchange-correlation potentials used in geometry optimization and electronic structure calculations, respectively. The bonding properties were analyzed by applying Bader's quantum theory of atoms in molecules formalism to the topological properties of total electron density obtained from ab initio calculations. Analysis of the results obtained (i.a. equilibrium geometry, equation of state, cohesive energy, band structure, density of states—both total and projected on to particular atoms, and topological properties of bond critical points and net charges of topological atoms) is presented in detail.

Are Public-Private Partnerships an Appropriate Governance Structure for Power Plants? A Transaction Cost Analysis

NASA Astrophysics Data System (ADS)

Ho, S. Ping; Hsu, Yaowen

2015-04-01

In order to meet the requirements of the rapid economic growth, many countries demand an increasing number of power plants to meet the increasing electricity usage. Since high capital requirements of power plants present a big issue for these countries, PPPs have been considered an alternative to provide power plant infrastructure. In particular, in emerging or developing countries, PPPs may be the fastest way to provide the infrastructure needed. However, while PPPs are a promising alternative to providing various types of infrastructure, many failed power plant PPP projects have made it evident that PPPs, under certain situations, can be very costly or even a wrong choice of governance structure. While the higher efficiency due to better pooling of resources is greatly emphasized in Public-Private Partnerships (PPPs), the embedded transaction inefficiencies are often understated or even ignored. Through the lens of Transaction Cost Economics (TCE), this paper aims to answer why and when PPPs may become a costly governance structure for power plants. Specifically, we develop a TCE-based theory of PPPs as a governance structure. This theory suggests that three major opportunism problems embedded in infrastructure PPPs are possible to cause substantial transaction costs and render PPPs a costly governance structure. The three main opportunism problems are principal-principal problem, firm's hold-up problem, and government-led hold-up problem. Moreover, project and institutional characteristics that may lead to opportunism problems are identified. Based on these characteristics, an opportunism-focused transaction cost analysis (OTCA) for PPPs as a governance structure is proposed to supplement the current practice of PPP feasibility analysis. As a part of theory development, a case study of PPP power plants is performed to evaluate the proposed theory and to illustrate how the proposed OTCA can be applied in practice. Policies and administration strategies for power plant PPPs are derived based on the proposed theory.

Compensation for Coarticulation: Disentangling Auditory and Gestural Theories of Perception of Coarticulatory Effects in Speech

ERIC Educational Resources Information Center

Viswanathan, Navin; Magnuson, James S.; Fowler, Carol A.

2010-01-01

According to one approach to speech perception, listeners perceive speech by applying general pattern matching mechanisms to the acoustic signal (e.g., Diehl, Lotto, & Holt, 2004). An alternative is that listeners perceive the phonetic gestures that structured the acoustic signal (e.g., Fowler, 1986). The two accounts have offered different…

Evolutionary Functions of Social Play: Life Histories, Sex Differences, and Emotion Regulation

ERIC Educational Resources Information Center

LaFreniere, Peter

2011-01-01

Many research findings about animal play apply to children's play, revealing structural and functional similarities with mammals in general and primates in particular. After an introduction to life-history theory, and before turning to humans, the author reviews research about the two mammals in which play has been studied the most extensively:…

Deformation Analysis of Wing Structures

DTIC Science & Technology

1947-07-01

34 >*•’’.••• s ; *„".• B4CA IN So. 1351 7 Advanced stress theories of torsion and bending In shells have teen developed by s number of authors, striking...the applied torque to the Internal vorfc. The following equivalent procedure ia convenient for practical application. ffa ASS «*, äV^SS: s, ^ *£i

Perspectives on Leadership. Current Issues in Higher Education No. 1, 1979.

ERIC Educational Resources Information Center

American Association for Higher Education, Washington, DC.

Perspectives on leadership, the workplace, and changing values are presented in three papers. In "Changing the Shape of Work: Reform in Academe," Rosabeth Moss Kanter discusses the structure of academic career paths and ways to improve the quality of worklife for individuals employed in academe, applying theories she developed in her study on work…

The Reciprocal Influence of Organizational Culture and Training and Development Programs: Building the Case for a Culture Analysis within Program Planning

ERIC Educational Resources Information Center

Kissack, Heather C.; Callahan, Jamie L.

2010-01-01

Purpose: The purpose of this paper is to demonstrate that training designers can, and should, account for organizational culture during training needs assessments. Design/methodology/approach: Utilizing the approach and arguments in Giddens' structuration theory, the paper conceptually applies these tenets to training and development programs…

Developmental Growth in Students' Concept of Energy: Analysis of Selected Items from the TIMSS Database

ERIC Educational Resources Information Center

Liu, Xiufeng; McKeough, Anne

2005-01-01

The aim of this study was to develop a model of students' energy concept development. Applying Case's (1985, 1992) structural theory of cognitive development, we hypothesized that students' concept of energy undergoes a series of transitions, corresponding to systematic increases in working memory capacity. The US national sample from the Third…

Global Citizenship Education in Context: Teacher Perceptions at an International School and a Local Israeli School

ERIC Educational Resources Information Center

Goren, Heela; Yemini, Miri

2016-01-01

We apply semi-structured interviews to conceptualise perceptions of global citizenship among teachers at an international school and teachers at a local public school in Israel, revealing discrepancies between theory and practice in global citizenship education (GCE). We find that teachers perceive global citizenship differently along three major…

Towards a Critical Paradigm for Change: Habermas'"Ideal Speech Situation" as a Meta-Model of Development Communication.

ERIC Educational Resources Information Center

Gilder, Eric

The German sociologist and communication theorist Jurgen Habermas' theory of communication as it applies to the problems of developing nations takes into account both the structural factors that hinder indigenous development as well as the individual psychology of the citizens of the less-developed countries (LDC). This paper details the…

Emphasis on Emotions in Student Learning: Analyzing Relationships between Overexcitabilities and the Learning Approach Using Bayesian MIMIC Modeling

ERIC Educational Resources Information Center

De Bondt, Niki; Van Petegem, Peter

2017-01-01

The aim of this study is to investigate interrelationships between overexcitability and learning patterns from the perspective of personality development according to Dabrowski's theory of positive disintegration. To this end, Bayesian structural equation modeling (BSEM) is applied which allows for the simultaneous inclusion in the measurement…

A world apart? Bridging the gap between theory and applied social gerontology.

PubMed

Hendricks, Jon; Applebaum, Robert; Kunkel, Suzanne

2010-06-01

This article is based on the premise that there is inadequate attention to the link between theory and applied research in social gerontology. The article contends that applied research studies do not often or effectively employ a theoretical framework and that theory-based articles, including theory-based research, are not often focused on questions related to applied social gerontology. We explore the extent to which theory and applied research could reasonably be expected to overlap, present data from an analysis of 5 years of articles in three leading journals, and posit some possible explanations for the current divide between theory and applied social gerontology research. We argue that the divide weakens research and inhibits the functions that theory can play in helping to organize the accumulation of knowledge, and we offer some suggestions about how the field can address this challenge, including changes to the journal review and submission process to reflect the importance of the link between theory and/or conceptual models and research, and an expansion of professional conference opportunities to link research and practice.

Understanding the implementation and adoption of an information technology intervention to support medicine optimisation in primary care: qualitative study using strong structuration theory.

PubMed

Jeffries, Mark; Phipps, Denham; Howard, Rachel L; Avery, Anthony; Rodgers, Sarah; Ashcroft, Darren

2017-05-10

Using strong structuration theory, we aimed to understand the adoption and implementation of an electronic clinical audit and feedback tool to support medicine optimisation for patients in primary care. This is a qualitative study informed by strong structuration theory. The analysis was thematic, using a template approach. An a priori set of thematic codes, based on strong structuration theory, was developed from the literature and applied to the transcripts. The coding template was then modified through successive readings of the data. Clinical commissioning group in the south of England. Four focus groups and five semi-structured interviews were conducted with 18 participants purposively sampled from a range of stakeholder groups (general practitioners, pharmacists, patients and commissioners). Using the system could lead to improved medication safety, but use was determined by broad institutional contexts; by the perceptions, dispositions and skills of users; and by the structures embedded within the technology. These included perceptions of the system as new and requiring technical competence and skill; the adoption of the system for information gathering; and interactions and relationships that involved individual, shared or collective use. The dynamics between these external, internal and technological structures affected the adoption and implementation of the system. Successful implementation of information technology interventions for medicine optimisation will depend on a combination of the infrastructure within primary care, social structures embedded in the technology and the conventions, norms and dispositions of those utilising it. Future interventions, using electronic audit and feedback tools to improve medication safety, should consider the complexity of the social and organisational contexts and how internal and external structures can affect the use of the technology in order to support effective implementation. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Applying ecological models to communities of genetic elements: the case of neutral theory.

PubMed

Linquist, Stefan; Cottenie, Karl; Elliott, Tyler A; Saylor, Brent; Kremer, Stefan C; Gregory, T Ryan

2015-07-01

A promising recent development in molecular biology involves viewing the genome as a mini-ecosystem, where genetic elements are compared to organisms and the surrounding cellular and genomic structures are regarded as the local environment. Here, we critically evaluate the prospects of ecological neutral theory (ENT), a popular model in ecology, as it applies at the genomic level. This assessment requires an overview of the controversy surrounding neutral models in community ecology. In particular, we discuss the limitations of using ENT both as an explanation of community dynamics and as a null hypothesis. We then analyse a case study in which ENT has been applied to genomic data. Our central finding is that genetic elements do not conform to the requirements of ENT once its assumptions and limitations are made explicit. We further compare this genome-level application of ENT to two other, more familiar approaches in genomics that rely on neutral mechanisms: Kimura's molecular neutral theory and Lynch's mutational-hazard model. Interestingly, this comparison reveals that there are two distinct concepts of neutrality associated with these models, which we dub 'fitness neutrality' and 'competitive neutrality'. This distinction helps to clarify the various roles for neutral models in genomics, for example in explaining the evolution of genome size. © 2015 John Wiley & Sons Ltd.

On the mechanochemical theory of biological pattern formation with application to vasculogenesis.

PubMed

Murray, James D

2003-02-01

We first describe the Murray-Oster mechanical theory of pattern formation, the biological basis of which is experimentally well documented. The model quantifies the interaction of cells and the extracellular matrix via the cell-generated forces. The model framework is described in quantitative detail. Vascular endothelial cells, when cultured on gelled basement membrane matrix, rapidly aggregate into clusters while deforming the matrix into a network of cord-like structures tessellating the planar culture. We apply the mechanical theory of pattern formation to this culture system and show that neither strain-biased anisotropic cell traction nor cell migration are necessary for pattern formation: isotropic, strain-stimulated cell traction is sufficient to form the observed patterns. Predictions from the model were confirmed experimentally.

Optical Response of Sr2RuO4 Reveals Universal Fermi-Liquid Scaling and Quasiparticles Beyond Landau Theory

NASA Astrophysics Data System (ADS)

Stricker, D.; Mravlje, J.; Berthod, C.; Fittipaldi, R.; Vecchione, A.; Georges, A.; van der Marel, D.

2014-08-01

We report optical measurements demonstrating that the low-energy relaxation rate (1/τ) of the conduction electrons in Sr2RuO4 obeys scaling relations for its frequency (ω) and temperature (T) dependence in accordance with Fermi-liquid theory. In the thermal relaxation regime, 1/τ∝(ℏω)2+(pπkBT)2 with p=2, and ω/T scaling applies. Many-body electronic structure calculations using dynamical mean-field theory confirm the low-energy Fermi-liquid scaling and provide quantitative understanding of the deviations from Fermi-liquid behavior at higher energy and temperature. The excess optical spectral weight in this regime provides evidence for strongly dispersing "resilient" quasiparticle excitations above the Fermi energy.

Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor-acceptor-donor type molecules.

PubMed

Tam, Teck Lip Dexter; Lin, Ting Ting; Chua, Ming Hui

2017-06-21

Here we utilized new diagnostic tools in time-dependent density functional theory to explain the trend of intersystem crossing in benzo(bis)-X-diazole based donor-acceptor-donor type molecules. These molecules display a wide range of fluorescence quantum yields and triplet yields, making them excellent candidates for testing the validity of these diagnostic tools. We believe that these tools are cost-effective and can be applied to structurally similar organic chromophores to predict/explain the trends of intersystem crossing, and thus fluorescence quantum yields and triplet yields without the use of complex and expensive multireference configuration interaction or multireference pertubation theory methods.

Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit

NASA Astrophysics Data System (ADS)

Gruber, Thomas; Liao, Ke; Tsatsoulis, Theodoros; Hummel, Felix; Grüneis, Andreas

2018-04-01

Modern electronic structure theories can predict and simulate a wealth of phenomena in surface science and solid-state physics. In order to allow for a direct comparison with experiment, such ab initio predictions have to be made in the thermodynamic limit, substantially increasing the computational cost of many-electron wave-function theories. Here, we present a method that achieves thermodynamic limit results for solids and surfaces using the "gold standard" coupled cluster ansatz of quantum chemistry with unprecedented efficiency. We study the energy difference between carbon diamond and graphite crystals, adsorption energies of water on h -BN, as well as the cohesive energy of the Ne solid, demonstrating the increased efficiency and accuracy of coupled cluster theory for solids and surfaces.

Shear and shearless Lagrangian structures in compound channels

NASA Astrophysics Data System (ADS)

Enrile, F.; Besio, G.; Stocchino, A.

2018-03-01

Transport processes in a physical model of a natural stream with a composite cross-section (compound channel) are investigated by means of a Lagrangian analysis based on nonlinear dynamical system theory. Two-dimensional free surface Eulerian experimental velocity fields of a uniform flow in a compound channel form the basis for the identification of the so-called Lagrangian Coherent Structures. Lagrangian structures are recognized as the key features that govern particle trajectories. We seek for two particular class of Lagrangian structures: Shear and shearless structures. The former are generated whenever the shear dominates the flow whereas the latter behave as jet-cores. These two type of structures are detected as ridges and trenches of the Finite-Time Lyapunov Exponents fields, respectively. Besides, shearlines computed applying the geodesic theory of transport barriers mark Shear Lagrangian Coherent Structures. So far, the detection of these structures in real experimental flows has not been deeply investigated. Indeed, the present results obtained in a wide range of the controlling parameters clearly show a different behaviour depending on the shallowness of the flow. Shear and Shearless Lagrangian Structures detected from laboratory experiments clearly appear as the flow develops in shallow conditions. The presence of these Lagrangian Structures tends to fade in deep flow conditions.

Hopf algebras of rooted forests, cocyles, and free Rota-Baxter algebras

NASA Astrophysics Data System (ADS)

Zhang, Tianjie; Gao, Xing; Guo, Li

2016-10-01

The Hopf algebra and the Rota-Baxter algebra are the two algebraic structures underlying the algebraic approach of Connes and Kreimer to renormalization of perturbative quantum field theory. In particular, the Hopf algebra of rooted trees serves as the "baby model" of Feynman graphs in their approach and can be characterized by certain universal properties involving a Hochschild 1-cocycle. Decorated rooted trees have also been applied to study Feynman graphs. We will continue the study of universal properties of various spaces of decorated rooted trees with such a 1-cocycle, leading to the concept of a cocycle Hopf algebra. We further apply the universal properties to equip a free Rota-Baxter algebra with the structure of a cocycle Hopf algebra.

Intervention mapping protocol for developing a theory-based diabetes self-management education program.

PubMed

Song, Misoon; Choi, Suyoung; Kim, Se-An; Seo, Kyoungsan; Lee, Soo Jin

2015-01-01

Development of behavior theory-based health promotion programs is encouraged with the paradigm shift from contents to behavior outcomes. This article describes the development process of the diabetes self-management program for older Koreans (DSME-OK) using intervention mapping (IM) protocol. The IM protocol includes needs assessment, defining goals and objectives, identifying theory and determinants, developing a matrix to form change objectives, selecting strategies and methods, structuring the program, and planning for evaluation and pilot testing. The DSME-OK adopted seven behavior objectives developed by the American Association of Diabetes Educators as behavioral outcomes. The program applied an information-motivation-behavioral skills model, and interventions were targeted to 3 determinants to change health behaviors. Specific methods were selected to achieve each objective guided by IM protocol. As the final step, program evaluation was planned including a pilot test. The DSME-OK was structured as the 3 determinants of the IMB model were intervened to achieve behavior objectives in each session. The program has 12 weekly 90-min sessions tailored for older adults. Using the IM protocol in developing a theory-based self-management program was beneficial in terms of providing a systematic guide to developing theory-based and behavior outcome-focused health education programs.

Eating behaviors of older African Americans: an application of the theory of planned behavior.

PubMed

O'Neal, Catherine Walker; Wickrama, Kandauda K A S; Ralston, Penny A; Ilich, Jasminka Z; Harris, Cynthia M; Coccia, Catherine; Young-Clark, Iris; Lemacks, Jennifer

2014-04-01

The study applies the theory of planned behavior to explain the fruit and vegetable eating behaviors, a broad construct consisting of preparing, self-monitoring, and consuming fruits and vegetables, of older African Americans. Structural equation modeling was used to examine the applicability of the theory of planned behavior with data from 211 older African American women and men (73% women, 26% men; median age range of 57-63 years) participating in a larger intervention study. Attitudes about eating fruit and vegetables, subjective social norms, and perceived behavioral control were related to older African Americans' intentions to consume fruits and vegetables. Social norms and behavioral intentions were associated with fruit and vegetable eating behaviors. Perceived control did not moderate the influence of behavioral intentions on actual behavior. Results indicated that the theory of planned behavior can be used to explain variation in older African Americans' eating behavior. This study also emphasizes the value of considering broader behavioral domains when employing the theory of planned behavior rather than focusing on specific behaviors. Furthermore, social service programs aimed at reducing the incidence of diseases commonly associated with poor eating behaviors among older African Americans must consider promoting not only fruit and vegetable consumption but also related behaviors including preparing and self-monitoring by eliminating structural, cognitive, and normative constraints.

Ethical Behavior and Ajzen’s Theory of Planned Behavior Applied to the Decision to Obtain Professional Credentials

DTIC Science & Technology

2015-03-26

ETHICAL BEHAVIOR AND AJZEN’S THEORY OF PLANNED BEHAVIOR APPLIED TO THE DECISION TO OBTAIN...copyright protection in the United States. AFIT-ENV-15-M-191 ETHICAL BEHAVIOR AND AJZEN’S THEORY OF PLANNED BEHAVIOR APPLIED TO THE DECISION TO...APPROVED FOR PUBLIC RELEASE; DISTRIBUTION UNLIMITED. AFIT-ENV-15-M-191 ETHICAL BEHAVIOR AND AJZEN’S THEORY OF PLANNED BEHAVIOR APPLIED TO THE DECISION

A Hamilton-Jacobi theory for implicit differential systems

NASA Astrophysics Data System (ADS)

Esen, Oǧul; de León, Manuel; Sardón, Cristina

2018-02-01

In this paper, we propose a geometric Hamilton-Jacobi theory for systems of implicit differential equations. In particular, we are interested in implicit Hamiltonian systems, described in terms of Lagrangian submanifolds of TT*Q generated by Morse families. The implicit character implies the nonexistence of a Hamiltonian function describing the dynamics. This fact is here amended by a generating family of Morse functions which plays the role of a Hamiltonian. A Hamilton-Jacobi equation is obtained with the aid of this generating family of functions. To conclude, we apply our results to singular Lagrangians by employing the construction of special symplectic structures.

Theory of the control of structures by low authority controllers

NASA Technical Reports Server (NTRS)

Aubrun, J. N.

1978-01-01

The novel idea presented is based on the observation that if a structure is controlled by distributed systems of sensors and actuators with limited authority, i.e., if the controller is allowed to modify only moderately the natural modes and frequencies of the structure, then it should be possible to apply root perturbation techniques to predict analytically the behavior of the total system. Attention is given to the root perturbation formula first derived by Jacobi for infinitesimal perturbations which neglect the induced eigenvector perturbation, a more general form of Jacobi's formula, first-order structural equations and modal state vectors, state-space equations for damper-augmented structures, and modal damping prediction formulas.

[The Application of Magnetic Resonance Imaging in Alzheimer's Disease].

PubMed

Matsuda, Hiroshi

2017-07-01

In Alzheimer's disease (AD), magnetic resonance imaging (MRI) is essential for early diagnosis, differential diagnosis, and evaluation of disease progression. In structural MRI, the automatic diagnosis of atrophy by computers, even when it is not visually noticeable, is possible in daily clinical practice. Furthermore, subfield volumetric measurements of the medial temporal structures, as well as longitudinal volume measurements with high accuracy, have been developed and are useful for calculating the needed sample size in clinical trials. In addition to detecting local atrophy, graph theory has been applied to structural MRI for evaluation of alterations of the brain networks potentially affected in AD.

Application of validity theory and methodology to patient-reported outcome measures (PROMs): building an argument for validity.

PubMed

Hawkins, Melanie; Elsworth, Gerald R; Osborne, Richard H

2018-07-01

Data from subjective patient-reported outcome measures (PROMs) are now being used in the health sector to make or support decisions about individuals, groups and populations. Contemporary validity theorists define validity not as a statistical property of the test but as the extent to which empirical evidence supports the interpretation of test scores for an intended use. However, validity testing theory and methodology are rarely evident in the PROM validation literature. Application of this theory and methodology would provide structure for comprehensive validation planning to support improved PROM development and sound arguments for the validity of PROM score interpretation and use in each new context. This paper proposes the application of contemporary validity theory and methodology to PROM validity testing. The validity testing principles will be applied to a hypothetical case study with a focus on the interpretation and use of scores from a translated PROM that measures health literacy (the Health Literacy Questionnaire or HLQ). Although robust psychometric properties of a PROM are a pre-condition to its use, a PROM's validity lies in the sound argument that a network of empirical evidence supports the intended interpretation and use of PROM scores for decision making in a particular context. The health sector is yet to apply contemporary theory and methodology to PROM development and validation. The theoretical and methodological processes in this paper are offered as an advancement of the theory and practice of PROM validity testing in the health sector.

A World Apart? Bridging the Gap between Theory and Applied Social Gerontology

ERIC Educational Resources Information Center

Hendricks, Jon; Applebaum, Robert; Kunkel, Suzanne

2010-01-01

This article is based on the premise that there is inadequate attention to the link between theory and applied research in social gerontology. The article contends that applied research studies do not often or effectively employ a theoretical framework and that theory-based articles, including theory-based research, are not often focused on…

Large deformation of uniaxially loaded slender microbeams on the basis of modified couple stress theory: Analytical solution and Galerkin-based method

NASA Astrophysics Data System (ADS)

Kiani, Keivan

2017-09-01

Large deformation regime of micro-scale slender beam-like structures subjected to axially pointed loads is of high interest to nanotechnologists and applied mechanics community. Herein, size-dependent nonlinear governing equations are derived by employing modified couple stress theory. Under various boundary conditions, analytical relations between axially applied loads and deformations are presented. Additionally, a novel Galerkin-based assumed mode method (AMM) is established to solve the highly nonlinear equations. In some particular cases, the predicted results by the analytical approach are also checked with those of AMM and a reasonably good agreement is reported. Subsequently, the key role of the material length scale on the load-deformation of microbeams is discussed and the deficiencies of the classical elasticity theory in predicting such a crucial mechanical behavior are explained in some detail. The influences of slenderness ratio and thickness of the microbeam on the obtained results are also examined. The present work could be considered as a pivotal step in better realizing the postbuckling behavior of nano-/micro- electro-mechanical systems consist of microbeams.

Using Grounded Theory Method to Capture and Analyze Health Care Experiences.

PubMed

Foley, Geraldine; Timonen, Virpi

2015-08-01

Grounded theory (GT) is an established qualitative research method, but few papers have encapsulated the benefits, limits, and basic tenets of doing GT research on user and provider experiences of health care services. GT can be used to guide the entire study method, or it can be applied at the data analysis stage only. We summarize key components of GT and common GT procedures used by qualitative researchers in health care research. We draw on our experience of conducting a GT study on amyotrophic lateral sclerosis patients' experiences of health care services. We discuss why some approaches in GT research may work better than others, particularly when the focus of study is hard-to-reach population groups. We highlight the flexibility of procedures in GT to build theory about how people engage with health care services. GT enables researchers to capture and understand health care experiences. GT methods are particularly valuable when the topic of interest has not previously been studied. GT can be applied to bring structure and rigor to the analysis of qualitative data. © Health Research and Educational Trust.

Using Grounded Theory Method to Capture and Analyze Health Care Experiences

PubMed Central

Foley, Geraldine; Timonen, Virpi

2015-01-01

Objective Grounded theory (GT) is an established qualitative research method, but few papers have encapsulated the benefits, limits, and basic tenets of doing GT research on user and provider experiences of health care services. GT can be used to guide the entire study method, or it can be applied at the data analysis stage only. Methods We summarize key components of GT and common GT procedures used by qualitative researchers in health care research. We draw on our experience of conducting a GT study on amyotrophic lateral sclerosis patients’ experiences of health care services. Findings We discuss why some approaches in GT research may work better than others, particularly when the focus of study is hard-to-reach population groups. We highlight the flexibility of procedures in GT to build theory about how people engage with health care services. Conclusion GT enables researchers to capture and understand health care experiences. GT methods are particularly valuable when the topic of interest has not previously been studied. GT can be applied to bring structure and rigor to the analysis of qualitative data. PMID:25523315

Comparative study of ab initio nonradiative recombination rate calculations under different formalisms

NASA Astrophysics Data System (ADS)

Shi, Lin; Xu, Ke; Wang, Lin-Wang

2015-05-01

Nonradiative carrier recombination is of both great applied and fundamental importance, but the correct ab initio approaches to calculate it remain to be inconclusive. Here we used five different approximations to calculate the nonradiative carrier recombinations of two complex defect structures GaP :Z nGa-OP and GaN :Z nGa-VN , and compared the results with experiments. In order to apply different multiphonon assisted electron transition formalisms, we have calculated the electron-phonon coupling constants by ab initio density functional theory for all phonon modes. Compared with different methods, the capture coefficients calculated by the static coupling theory are 4.30 ×10-8 and 1.46 ×10-7c m3/s for GaP :Z nGa-OP and GaN :Z nGa-VN , which are in good agreement with the experiment results, (4-1+2) ×10-8 and 3.0 ×10-7c m3/s , respectively. We also provided arguments for why the static coupling theory should be used to calculate the nonradiative decays of semiconductors.

Treatment of Depression From a Self-Regulation Perspective: Basic Concepts and Applied Strategies in Self-System Therapy.

PubMed

Strauman, Timothy J; Eddington, Kari M

2017-02-01

Self-regulation models of psychopathology provide a theory-based, empirically supported framework for developing psychotherapeutic interventions that complement and extend current cognitive-behavioral models. However, many clinicians are only minimally familiar with the psychology of self-regulation. The aim of the present manuscript is twofold. First, we provide an overview of self-regulation as a motivational process essential to well-being and introduce two related theories of self-regulation which have been applied to depression. Second, we describe how self-regulatory concepts and processes from those two theories have been translated into psychosocial interventions, focusing specifically on self-system therapy (SST), a brief structured treatment for depression that targets personal goal pursuit. Two randomized controlled trials have shown that SST is superior to cognitive therapy for depressed clients with specific self-regulatory deficits, and both studies found evidence that SST works in part by restoring adaptive self-regulation. Self-regulation-based psychotherapeutic approaches to depression hold significant promise for enhancing treatment efficacy and ultimately may provide an individualizable framework for treatment planning.

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

Density-functional theory for internal magnetic fields

NASA Astrophysics Data System (ADS)

Tellgren, Erik I.

2018-01-01

A density-functional theory is developed based on the Maxwell-Schrödinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and the total magnetic field, which can equivalently be represented as a physical current density. Hence, the theory can be regarded as a physical current density-functional theory and an alternative to the paramagnetic current density-functional theory due to Vignale and Rasolt. The energy functional has strong enough convexity properties to allow a formulation that generalizes Lieb's convex analysis formulation of standard density-functional theory. Several variational principles as well as a Hohenberg-Kohn-like mapping between potentials and ground-state densities follow from the underlying convex structure. Moreover, the energy functional can be regarded as the result of a standard approximation technique (Moreau-Yosida regularization) applied to the conventional Schrödinger ground-state energy, which imposes limits on the maximum curvature of the energy (with respect to the magnetic field) and enables construction of a (Fréchet) differentiable universal density functional.

A mathematical description of the inclusive fitness theory.

PubMed

Wakano, Joe Yuichiro; Ohtsuki, Hisashi; Kobayashi, Yutaka

2013-03-01

Recent developments in the inclusive fitness theory have revealed that the direction of evolution can be analytically predicted in a wider class of models than previously thought, such as those models dealing with network structure. This paper aims to provide a mathematical description of the inclusive fitness theory. Specifically, we provide a general framework based on a Markov chain that can implement basic models of inclusive fitness. Our framework is based on the probability distribution of "offspring-to-parent map", from which the key concepts of the theory, such as fitness function, relatedness and inclusive fitness, are derived in a straightforward manner. We prove theorems showing that inclusive fitness always provides a correct prediction on which of two competing genes more frequently appears in the long run in the Markov chain. As an application of the theorems, we prove a general formula of the optimal dispersal rate in the Wright's island model with recurrent mutations. We also show the existence of the critical mutation rate, which does not depend on the number of islands and below which a positive dispersal rate evolves. Our framework can also be applied to lattice or network structured populations. Copyright © 2012 Elsevier Inc. All rights reserved.

Fault-tolerant control of large space structures using the stable factorization approach

NASA Technical Reports Server (NTRS)

Razavi, H. C.; Mehra, R. K.; Vidyasagar, M.

1986-01-01

Large space structures are characterized by the following features: they are in general infinite-dimensional systems, and have large numbers of undamped or lightly damped poles. Any attempt to apply linear control theory to large space structures must therefore take into account these features. Phase I consisted of an attempt to apply the recently developed Stable Factorization (SF) design philosophy to problems of large space structures, with particular attention to the aspects of robustness and fault tolerance. The final report on the Phase I effort consists of four sections, each devoted to one task. The first three sections report theoretical results, while the last consists of a design example. Significant results were obtained in all four tasks of the project. More specifically, an innovative approach to order reduction was obtained, stabilizing controller structures for plants with an infinite number of unstable poles were determined under some conditions, conditions for simultaneous stabilizability of an infinite number of plants were explored, and a fault tolerance controller design that stabilizes a flexible structure model was obtained which is robust against one failure condition.

Topology and layout optimization of discrete and continuum structures

NASA Technical Reports Server (NTRS)

Bendsoe, Martin P.; Kikuchi, Noboru

1993-01-01

The basic features of the ground structure method for truss structure an continuum problems are described. Problems with a large number of potential structural elements are considered using the compliance of the structure as the objective function. The design problem is the minimization of compliance for a given structural weight, and the design variables for truss problems are the cross-sectional areas of the individual truss members, while for continuum problems they are the variable densities of material in each of the elements of the FEM discretization. It is shown how homogenization theory can be applied to provide a relation between material density and the effective material properties of a periodic medium with a known microstructure of material and voids.

Changing behavior towards sustainable practices using Information Technology.

PubMed

Iveroth, Einar; Bengtsson, Fredrik

2014-06-15

This article addresses the question of how to change individuals' behavior towards more sustainable practices using Information Technology (IT). By following a multidisciplinary and socio-technical perspective, this inquiry is answered by applying a new framework-The Commonality Framework for IT-enabled Change-on a case study of sustainable behavioral change. The framework is grounded in practice theory and is used to analyze the implementation of an IT-system aimed at changing citizens' behavior towards more sustainable transport logistics and procurement in Uppsala, Sweden. The article applies case study research design and the empirical data consists of surveys, in-depth and semi-structured interviews, observations and archival documents. The results show how the change towards sustainable practices is an entanglement of both social and technical-structural elements across time. In this process, structures such as IT are the enablers, and the actors and their social activities are the tipping-point factors that ultimately determine the success of changing individuals' behavior towards a more sustainable direction. This article provides a more balanced view of how both actor and structure related properties interact during the on-going work with change towards greater sustainability practices than earlier research has offered. More specifically, the article offers both a lower-level theory and a method from which we can analyze change processes where technology is seen in its context, and where both technology and the human actor is brought forth to center stage. Copyright © 2014 Elsevier Ltd. All rights reserved.

Probabilistic Sizing and Verification of Space Ceramic Structures

NASA Astrophysics Data System (ADS)

Denaux, David; Ballhause, Dirk; Logut, Daniel; Lucarelli, Stefano; Coe, Graham; Laine, Benoit

2012-07-01

Sizing of ceramic parts is best optimised using a probabilistic approach which takes into account the preexisting flaw distribution in the ceramic part to compute a probability of failure of the part depending on the applied load, instead of a maximum allowable load as for a metallic part. This requires extensive knowledge of the material itself but also an accurate control of the manufacturing process. In the end, risk reduction approaches such as proof testing may be used to lower the final probability of failure of the part. Sizing and verification of ceramic space structures have been performed by Astrium for more than 15 years, both with Zerodur and SiC: Silex telescope structure, Seviri primary mirror, Herschel telescope, Formosat-2 instrument, and other ceramic structures flying today. Throughout this period of time, Astrium has investigated and developed experimental ceramic analysis tools based on the Weibull probabilistic approach. In the scope of the ESA/ESTEC study: “Mechanical Design and Verification Methodologies for Ceramic Structures”, which is to be concluded in the beginning of 2012, existing theories, technical state-of-the-art from international experts, and Astrium experience with probabilistic analysis tools have been synthesized into a comprehensive sizing and verification method for ceramics. Both classical deterministic and more optimised probabilistic methods are available, depending on the criticality of the item and on optimisation needs. The methodology, based on proven theory, has been successfully applied to demonstration cases and has shown its practical feasibility.

Adaptive management of rangeland systems

USGS Publications Warehouse

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

2017-01-01

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

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

NASA Astrophysics Data System (ADS)

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

2013-06-01

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

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

PubMed

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

2013-06-26

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

Density functional tight-binding and infrequent metadynamics can capture entropic effects in intramolecular hydrogen transfer reactions

NASA Astrophysics Data System (ADS)

Oliveira, Luiz F. L.; Fu, Christopher D.; Pfaendtner, Jim

2018-04-01

Infrequent metadynamics uses biased simulations to estimate the unbiased kinetics of a system, facilitating the calculation of rates and barriers. Here the method is applied to study intramolecular hydrogen transfer reactions involving peroxy radicals, a class of reactions that is challenging to model due to the entropic contributions of the formation of ring structures in the transition state. Using the self-consistent charge density-functional based tight-binding (DFTB) method, we applied infrequent metadynamics to the study of four intramolecular H-transfer reactions, demonstrating that the method can qualitatively reproduce these high entropic contributions, as observed in experiments and those predicted by transition state theory modeled by higher levels of theory. We also show that infrequent metadynamics and DFTB are successful in describing the relationship between transition state ring size and kinetic coefficients (e.g., activation energies and the pre-exponential factors).

On the convergence of an iterative formulation of the electromagnetic scattering from an infinite grating of thin wires

NASA Technical Reports Server (NTRS)

Brand, J. C.

1985-01-01

Contraction theory is applied to an iterative formulation of electromagnetic scattering from periodic structures and a computational method for insuring convergence is developed. A short history of spectral (or k-space) formulation is presented with an emphasis on application to periodic surfaces. The mathematical background for formulating an iterative equation is covered using straightforward single variable examples including an extension to vector spaces. To insure a convergent solution of the iterative equation, a process called the contraction corrector method is developed. Convergence properties of previously presented iterative solutions to one-dimensional problems are examined utilizing contraction theory and the general conditions for achieving a convergent solution are explored. The contraction corrector method is then applied to several scattering problems including an infinite grating of thin wires with the solution data compared to previous works.

Is memory for music special?

PubMed

Schulkind, Matthew D

2009-07-01

Although psychologists since Hermann Ebbinghaus have studied memory, research in this area has focused on visual and verbal stimuli with little attention paid to music. This bias is surprising because of the ubiquity of music in human cultures across history as well as current cultural beliefs that memory for music is "special." This paper examines the question of whether memory for music is special by addressing two related questions: First, do cultural beliefs about the mnemonic power of music stand up to empirical test? Second, can theories designed to explain memory for non-musical stimuli be applied to musical stimuli? A review of the literature suggests that music is special in some circumstances but not others and that some theories designed to explain cognitive processing of linguistic stimuli apply reasonably well to musical stimuli. Thus, although the question of whether memory for music is special remains open, the unique structure of musical stimuli strongly suggests that memory for music is indeed special.

Density functional theory calculations of continuum lowering in strongly coupled plasmas.

PubMed

Vinko, S M; Ciricosta, O; Wark, J S

2014-03-24

An accurate description of the ionization potential depression of ions in plasmas due to their interaction with the environment is a fundamental problem in plasma physics, playing a key role in determining the ionization balance, charge state distribution, opacity and plasma equation of state. Here we present a method to study the structure and position of the continuum of highly ionized dense plasmas using finite-temperature density functional theory in combination with excited-state projector augmented-wave potentials. The method is applied to aluminium plasmas created by intense X-ray irradiation, and shows excellent agreement with recently obtained experimental results. We find that the continuum lowering for ions in dense plasmas at intermediate temperatures is larger than predicted by standard plasma models and explain this effect through the electronic structure of the valence states in these strong-coupling conditions.

Structural response of existing spatial truss roof construction based on Cosserat rod theory

NASA Astrophysics Data System (ADS)

Miśkiewicz, Mikołaj

2018-04-01

Paper presents the application of the Cosserat rod theory and newly developed associated finite elements code as the tools that support in the expert-designing engineering practice. Mechanical principles of the 3D spatially curved rods, dynamics (statics) laws, principle of virtual work are discussed. Corresponding FEM approach with interpolation and accumulation techniques of state variables are shown that enable the formulation of the C0 Lagrangian rod elements with 6-degrees of freedom per node. Two test examples are shown proving the correctness and suitability of the proposed formulation. Next, the developed FEM code is applied to assess the structural response of the spatial truss roof of the "Olivia" Sports Arena Gdansk, Poland. The numerical results are compared with load test results. It is shown that the proposed FEM approach yields correct results.

Time dependent density functional theory study of the near-edge x-ray absorption fine structure of benzene in gas phase and on metal surfaces.

PubMed

Asmuruf, Frans A; Besley, Nicholas A

2008-08-14

The near-edge x-ray absorption fine structure of benzene in the gas phase and adsorbed on the Au(111) and Pt(111) surfaces is studied with time dependent density functional theory. Excitation energies computed with hybrid exchange-correlation functionals are too low compared to experiment. However, after applying a constant shift the spectra are in good agreement with experiment. For benzene on the Au(111) surface, two bands arising from excitation to the e(2u)(pi(*)) and b(2g)(pi(*)) orbitals of benzene are observed for photon incidence parallel to the surface. On Pt(111) surface, a broader band arises from excitation to benzene orbitals that are mixed with the surface and have both sigma(*)(Pt-C) and pi(*) characters.

Effects of doping Na and Cl atom on electronic structure of silicene: Density functional theory calculation

NASA Astrophysics Data System (ADS)

Pamungkas, Mauludi Ariesto; Sobirin, Kafi; Abdurrouf

2018-04-01

Silicene is a material in which silicon atoms are packed in two-dimensional hexagonal lattice, similar to that of graphene. Compared to graphene, silicene has promising potential to be applied in microelectronic technology because of its compatibility with silicon comonly used in semiconducting devices. Natrium and chlorine are easy to extract and can be used as dopants in FET (Field Effect Transistor). In this work, the effects of adsorption energy and electronic structure of silicene to both natrium and chlorine atoms are calculated with Density Functional Theory (DFT). The results show that dopings of Na transform silicene which is initially semimetal into a metal. Then dopings of Cl Top-site transform silicene into a semiconducting material and doping of Na and Cl simultaneously transfoms silicene into a conducting material.

Acidity in DMSO from the embedded cluster integral equation quantum solvation model.

PubMed

Heil, Jochen; Tomazic, Daniel; Egbers, Simon; Kast, Stefan M

2014-04-01

The embedded cluster reference interaction site model (EC-RISM) is applied to the prediction of acidity constants of organic molecules in dimethyl sulfoxide (DMSO) solution. EC-RISM is based on a self-consistent treatment of the solute's electronic structure and the solvent's structure by coupling quantum-chemical calculations with three-dimensional (3D) RISM integral equation theory. We compare available DMSO force fields with reference calculations obtained using the polarizable continuum model (PCM). The results are evaluated statistically using two different approaches to eliminating the proton contribution: a linear regression model and an analysis of pK(a) shifts for compound pairs. Suitable levels of theory for the integral equation methodology are benchmarked. The results are further analyzed and illustrated by visualizing solvent site distribution functions and comparing them with an aqueous environment.

First-principles investigation of graphitic carbon nitride monolayer with embedded Fe atom

NASA Astrophysics Data System (ADS)

Abdullahi, Yusuf Zuntu; Yoon, Tiem Leong; Halim, Mohd Mahadi; Hashim, Md. Roslan; Lim, Thong Leng

2018-01-01

Density-functional theory (DFT) calculations with spin-polarized generalized gradient approximation and Hubbard U correction are carried out to investigate the mechanical, structural, electronic and magnetic properties of graphitic heptazine with embedded Fe atom under bi-axial tensile strain and applied perpendicular electric field. It was found that the binding energy of heptazine with embedded Fe atom system decreases as larger tensile strain is applied, while it increases as larger electric field strength is applied. Our calculations also predict a band gap at a peak value of 5% tensile strain but at expense of the structural stability of the system. The band gap open up at 5% tensile strain is due to distortion in the structure caused by the repulsive effect in the cavity between the lone pairs of the edge nitrogen atoms and dxy /dx2 -y2 orbital of Fe atom, forcing the unoccupied pz- orbital is forced to shift toward higher energy. The electronic and magnetic properties of the heptazine with embedded Fe system under perpendicular electric field up to a peak value of 8 V/nm is also well preserved despite an obvious buckled structure. Such properties are desirable for diluted magnetic semiconductors, spintronics, and sensing devices.

Structure of the Photo-catalytically Active Surface of SrTiO 3

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

Plaza, Manuel; Huang, Xin; Ko, J. Y. Peter

2016-06-29

A major goal of energy research is to use visible light to cleave water directly, without an applied voltage, into hydrogen and oxygen. Although SrTiO3 requires ultraviolet light, after four decades, it is still the “gold standard” for the photo-catalytic splitting of water. It is chemically robust and can carry out both hydrogen and oxygen evolution reactions without an applied bias. While ultrahigh vacuum surface science techniques have provided useful insights, we still know relatively little about the structure of these electrodes in contact with electrolytes under operating conditions. Here, we report the surface structure evolution of a n-SrTiO3 electrodemore » during water splitting, before and after “training” with an applied positive bias. Operando high-energy X-ray reflectivity measurements demonstrate that training the electrode irreversibly reorders the surface. Scanning electrochemical microscopy at open circuit correlates this training with a 3-fold increase of the activity toward the photo-induced water splitting. A novel first-principles joint density functional theory simulation, constrained to the X-ray data via a generalized penalty function, identifies an anatase-like structure as the more active, trained surface.« less

Structure of the Photo-catalytically Active Surface of SrTiO 3

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

Plaza, Manuel; Huang, Xin; Ko, J. Y. Peter

2016-06-29

A major goal of energy research is to use visible light to cleave water directly, without an applied voltage, into hydrogen and oxygen. Although SrTiO 3 requires ultraviolet light, after four decades, it is still the "gold standard" for the photo-catalytic splitting of water. It is chemically robust and can carry out both hydrogen and oxygen evolution reactions without an applied bias. While ultrahigh vacuum surface science techniques have provided useful insights, we still know relatively little about the structure of these electrodes in contact with electrolytes under operating conditions. Here, we report the surface structure evolution of a n-SrTiOmore » 3 electrode during water splitting, before and after "training" with an applied positive bias. Operando high-energy X-ray reflectivity measurements demonstrate that training the electrode irreversibly reorders the surface. Scanning electrochemical microscopy at open circuit correlates this training with a 3-fold increase of the activity toward the photo-induced water splitting. A novel first-principles joint density functional theory simulation, constrained to the X-ray data via a generalized penalty function, identifies an anatase-like structure as the more active, trained surface.« less

Applying Ecodevelopmental Theory and the Theory of Reasoned Action to Understand HIV Risk Behaviors Among Hispanic Adolescents.

PubMed

Ortega, Johis; Huang, Shi; Prado, Guillermo

2012-01-03

HIV/AIDS is listed as one of the top 10 reasons for the death of Hispanics between the ages of 15 and 54 in the United States. This cross sectional, descriptive secondary study proposed that using both the systemic (ecodevelopmental) and the individually focused (theory of reasoned action) theories together would lead to an increased understanding of the risk and protective factors that influence HIV risk behaviors in this population. The sample consisted of 493 Hispanic adolescent 7th and 8th graders and their immigrant parents living in Miami, Florida. Structural Equation Modeling (SEM) was used for the data analysis. Family functioning emerged as the heart of the model, embedded within a web of direct and mediated relationships. The data support the idea that family can play a central role in the prevention of Hispanic adolescents' risk behaviors.

Applying Ecodevelopmental Theory and the Theory of Reasoned Action to Understand HIV Risk Behaviors Among Hispanic Adolescents

PubMed Central

Ortega, Johis; Huang, Shi; Prado, Guillermo

2012-01-01

HIV/AIDS is listed as one of the top 10 reasons for the death of Hispanics between the ages of 15 and 54 in the United States. This cross sectional, descriptive secondary study proposed that using both the systemic (ecodevelopmental) and the individually focused (theory of reasoned action) theories together would lead to an increased understanding of the risk and protective factors that influence HIV risk behaviors in this population. The sample consisted of 493 Hispanic adolescent 7th and 8th graders and their immigrant parents living in Miami, Florida. Structural Equation Modeling (SEM) was used for the data analysis. Family functioning emerged as the heart of the model, embedded within a web of direct and mediated relationships. The data support the idea that family can play a central role in the prevention of Hispanic adolescents’ risk behaviors. PMID:23152718

Rate theories and puzzles of hemeprotein kinetics.

PubMed

Frauenfelder, H; Wolynes, P G

1985-07-26

The binding of dioxygen and carbon monoxide to heme proteins such as myoglobin and hemoglobin has been studied with flash photolysis. At temperatures below 200 K, binding occurs from within the heme pocket and, contrary to expectation, with nearly equal rates for both ligands. This observation has led to a reexamination of the theory of the association reaction taking into account friction, protein structure, and the nature of electronic transitions. The rate coefficients for the limiting cases of large and small friction are found with simple arguments that use characteristic lengths and times. The arguments indicate how transition state theory as well as calculations based on nonadiabatic perturbation theory, which is called the Golden Rule, may fail. For ligand-binding reactions the data suggest the existence of intermediate states not directly observed so far. The general considerations may also apply to other biomolecular processes such as electron transport.

Electrical double layers and differential capacitance in molten salts from density functional theory

DOE PAGES

Frischknecht, Amalie L.; Halligan, Deaglan O.; Parks, Michael L.

2014-08-05

Classical density functional theory (DFT) is used to calculate the structure of the electrical double layer and the differential capacitance of model molten salts. The DFT is shown to give good qualitative agreement with Monte Carlo simulations in the molten salt regime. The DFT is then applied to three common molten salts, KCl, LiCl, and LiKCl, modeled as charged hard spheres near a planar charged surface. The DFT predicts strong layering of the ions near the surface, with the oscillatory density profiles extending to larger distances for larger electrostatic interactions resulting from either lower temperature or lower dielectric constant. Inmore » conclusion, overall the differential capacitance is found to be bell-shaped, in agreement with recent theories and simulations for ionic liquids and molten salts, but contrary to the results of the classical Gouy-Chapman theory.« less

Adaptation of Teachers' Conceptions and Practices of Formative Assessment Scale into Turkish Culture and a Structural Equation Modeling

ERIC Educational Resources Information Center

Karaman, Pinar; Sahin, Çavus

2017-01-01

The purpose of this study was to adapt Teachers' Conceptions and Practices of Formative Assessment Scale (TCPFS) based on the Theory of Planned Behavior (TPB) into Turkish culture and apply the TPB to examine teachers' intentions and behaviors regarding formative assessment. After examining linguistic validity of the scale, Turkish scale was…

Conceptualizing and Measuring Weekend versus Weekday Alcohol Use: Item Response Theory and Confirmatory Factor Analysis

PubMed Central

Handren, Lindsay; Crano, William D.

2018-01-01

Culturally, people tend to abstain from alcohol intake during the weekdays and wait to consume in greater frequency and quantity during the weekends. The current research sought to empirically justify the days representing weekday versus weekend alcohol consumption. In study 1 (N = 419), item response theory was applied to a two-parameter (difficulty and discrimination) model that evaluated the days of drinking (frequency) during the typical 7-day week. Item characteristic curves were most similar for Monday, Tuesday, and Wednesday (prototypical weekday) and for Friday and Saturday (prototypical weekend). Thursday and Sunday, however, exhibited item characteristics that bordered the properties of weekday and weekend consumption. In study 2 (N = 403), confirmatory factor analysis was applied to test six hypothesized measurement structures representing drinks per day (quantity) during the typical week. The measurement model producing the strongest fit indices was a correlated two-factor structure involving separate weekday and weekend factors that permitted Thursday and Sunday to double load on both dimensions. The proper conceptualization and accurate measurement of the days demarcating the normative boundaries of “dry” weekdays and “wet” weekends are imperative to inform research and prevention efforts targeting temporal alcohol intake patterns. PMID:27488456

Conceptualizing and Measuring Weekend versus Weekday Alcohol Use: Item Response Theory and Confirmatory Factor Analysis.

PubMed

Lac, Andrew; Handren, Lindsay; Crano, William D

2016-10-01

Culturally, people tend to abstain from alcohol intake during the weekdays and wait to consume in greater frequency and quantity during the weekends. The current research sought to empirically justify the days representing weekday versus weekend alcohol consumption. In study 1 (N = 419), item response theory was applied to a two-parameter (difficulty and discrimination) model that evaluated the days of drinking (frequency) during the typical 7-day week. Item characteristic curves were most similar for Monday, Tuesday, and Wednesday (prototypical weekday) and for Friday and Saturday (prototypical weekend). Thursday and Sunday, however, exhibited item characteristics that bordered the properties of weekday and weekend consumption. In study 2 (N = 403), confirmatory factor analysis was applied to test six hypothesized measurement structures representing drinks per day (quantity) during the typical week. The measurement model producing the strongest fit indices was a correlated two-factor structure involving separate weekday and weekend factors that permitted Thursday and Sunday to double load on both dimensions. The proper conceptualization and accurate measurement of the days demarcating the normative boundaries of "dry" weekdays and "wet" weekends are imperative to inform research and prevention efforts targeting temporal alcohol intake patterns.

Fluids density functional theory and initializing molecular dynamics simulations of block copolymers

NASA Astrophysics Data System (ADS)

Brown, Jonathan R.; Seo, Youngmi; Maula, Tiara Ann D.; Hall, Lisa M.

2016-03-01

Classical, fluids density functional theory (fDFT), which can predict the equilibrium density profiles of polymeric systems, and coarse-grained molecular dynamics (MD) simulations, which are often used to show both structure and dynamics of soft materials, can be implemented using very similar bead-based polymer models. We aim to use fDFT and MD in tandem to examine the same system from these two points of view and take advantage of the different features of each methodology. Additionally, the density profiles resulting from fDFT calculations can be used to initialize the MD simulations in a close to equilibrated structure, speeding up the simulations. Here, we show how this method can be applied to study microphase separated states of both typical diblock and tapered diblock copolymers in which there is a region with a gradient in composition placed between the pure blocks. Both methods, applied at constant pressure, predict a decrease in total density as segregation strength or the length of the tapered region is increased. The predictions for the density profiles from fDFT and MD are similar across materials with a wide range of interfacial widths.

Low frequency cabin noise reduction based on the intrinsic structural tuning concept: The theory and the experimental results, phase 2. [jet aircraft noise

NASA Technical Reports Server (NTRS)

Sengupta, G.

1978-01-01

Low frequency cabin noise and sonically induced stresses in an aircraft fuselage may be reduced by intrinsic tuning of the various structural members such as the skin, stringers, and frames and then applying damping treatments on these members. The concept is also useful in identifying the key structural resonance mechanisms controlling the fuselage response to broadband random excitation and in developing suitable damping treatments for reducing the structural response in various frequency ranges. The mathematical proof of the concept and the results of some laboratory and field tests on a group of skin-stringer panels are described. In the so-called stiffness-controlled region, the noise transmission may actually be controlled by stiffener resonances, depending upon the relationship between the natural frequencies of the skin bay and the stiffeners. Therefore, cabin noise in the stiffness-controlled region may be effectively reduced by applying damping treatments on the stiffeners.

Setting limits on Effective Field Theories: the case of Dark Matter

NASA Astrophysics Data System (ADS)

Pobbe, Federico; Wulzer, Andrea; Zanetti, Marco

2017-08-01

The usage of Effective Field Theories (EFT) for LHC new physics searches is receiving increasing attention. It is thus important to clarify all the aspects related with the applicability of the EFT formalism in the LHC environment, where the large available energy can produce reactions that overcome the maximal range of validity, i.e. the cutoff, of the theory. We show that this does not forbid to set rigorous limits on the EFT parameter space through a modified version of the ordinary binned likelihood hypothesis test, which we design and validate. Our limit-setting strategy can be carried on in its full-fledged form by the LHC experimental collaborations, or performed externally to the collaborations, through the Simplified Likelihood approach, by relying on certain approximations. We apply it to the recent CMS mono-jet analysis and derive limits on a Dark Matter (DM) EFT model. DM is selected as a case study because the limited reach on the DM production EFT Wilson coefficient and the structure of the theory suggests that the cutoff might be dangerously low, well within the LHC reach. However our strategy can also be applied, if needed, to EFT's parametrising the indirect effects of heavy new physics in the Electroweak and Higgs sectors.

Evolutionary institutionalism.

PubMed

Fürstenberg, Dr Kai

Institutions are hard to define and hard to study. Long prominent in political science have been two theories: Rational Choice Institutionalism (RCI) and Historical Institutionalism (HI). Arising from the life sciences is now a third: Evolutionary Institutionalism (EI). Comparative strengths and weaknesses of these three theories warrant review, and the value-to-be-added by expanding the third beyond Darwinian evolutionary theory deserves consideration. Should evolutionary institutionalism expand to accommodate new understanding in ecology, such as might apply to the emergence of stability, and in genetics, such as might apply to political behavior? Core arguments are reviewed for each theory with more detailed exposition of the third, EI. Particular attention is paid to EI's gene-institution analogy; to variation, selection, and retention of institutional traits; to endogeneity and exogeneity; to agency and structure; and to ecosystem effects, institutional stability, and empirical limitations in behavioral genetics. RCI, HI, and EI are distinct but complementary. Institutional change, while amenable to rational-choice analysis and, retrospectively, to criticaljuncture and path-dependency analysis, is also, and importantly, ecological. Stability, like change, is an emergent property of institutions, which tend to stabilize after change in a manner analogous to allopatric speciation. EI is more than metaphorically biological in that institutional behaviors are driven by human behaviors whose evolution long preceded the appearance of institutions themselves.

Metacommunity theory as a multispecies, multiscale framework for studying the influence of river network structure on riverine communities and ecosystems

USGS Publications Warehouse

Brown, B.L.; Swan, C.M.; Auerbach, D.A.; Campbell, Grant E.H.; Hitt, N.P.; Maloney, K.O.; Patrick, C.

2011-01-01

Explaining the mechanisms underlying patterns of species diversity and composition in riverine networks is challenging. Historically, community ecologists have conceived of communities as largely isolated entities and have focused on local environmental factors and interspecific interactions as the major forces determining species composition. However, stream ecologists have long embraced a multiscale approach to studying riverine ecosystems and have studied both local factors and larger-scale regional factors, such as dispersal and disturbance. River networks exhibit a dendritic spatial structure that can constrain aquatic organisms when their dispersal is influenced by or confined to the river network. We contend that the principles of metacommunity theory would help stream ecologists to understand how the complex spatial structure of river networks mediates the relative influences of local and regional control on species composition. From a basic ecological perspective, the concept is attractive because new evidence suggests that the importance of regional processes (dispersal) depends on spatial structure of habitat and on connection to the regional species pool. The role of local factors relative to regional factors will vary with spatial position in a river network. From an applied perspective, the long-standing view in ecology that local community composition is an indicator of habitat quality may not be uniformly applicable across a river network, but the strength of such bioassessment approaches probably will depend on spatial position in the network. The principles of metacommunity theory are broadly applicable across taxa and systems but seem of particular consequence to stream ecology given the unique spatial structure of riverine systems. By explicitly embracing processes at multiple spatial scales, metacommunity theory provides a foundation on which to build a richer understanding of stream communities.

Predator attack rate evolution in space: the role of ecology mediated by complex emergent spatial structure and self-shading.

PubMed

Messinger, Susanna M; Ostling, Annette

2013-11-01

Predation interactions are an important element of ecological communities. Population spatial structure has been shown to influence predator evolution, resulting in the evolution of a reduced predator attack rate; however, the evolutionary role of traits governing predator and prey ecology is unknown. The evolutionary effect of spatial structure on a predator's attack rate has primarily been explored assuming a fixed metapopulation spatial structure, and understood in terms of group selection. But endogenously generated, emergent spatial structure is common in nature. Furthermore, the evolutionary influence of ecological traits may be mediated through the spatial self-structuring process. Drawing from theory on pathogens, the evolutionary effect of emergent spatial structure can be understood in terms of self-shading, where a voracious predator limits its long-term invasion potential by reducing local prey availability. Here we formalize the effects of self-shading for predators using spatial moment equations. Then, through simulations, we show that in a spatial context self-shading leads to relationships between predator-prey ecology and the predator's attack rate that are not expected in a non-spatial context. Some relationships are analogous to relationships already shown for host-pathogen interactions, but others represent new trait dimensions. Finally, since understanding the effects of ecology using existing self-shading theory requires simplifications of the emergent spatial structure that do not apply well here, we also develop metrics describing the complex spatial structure of the predator and prey populations to help us explain the evolutionary effect of predator and prey ecology in the context of self-shading. The identification of these metrics may provide a step towards expansion of the predictive domain of self-shading theory to more complex spatial dynamics. Copyright © 2013 Elsevier Inc. All rights reserved.

Structure of spherical electric double layers with fully asymmetric electrolytes: a systematic study by Monte Carlo simulations and density functional theory.

PubMed

Patra, Chandra N

2014-11-14

A systematic investigation of the spherical electric double layers with the electrolytes having size as well as charge asymmetry is carried out using density functional theory and Monte Carlo simulations. The system is considered within the primitive model, where the macroion is a structureless hard spherical colloid, the small ions as charged hard spheres of different size, and the solvent is represented as a dielectric continuum. The present theory approximates the hard sphere part of the one particle correlation function using a weighted density approach whereas a perturbation expansion around the uniform fluid is applied to evaluate the ionic contribution. The theory is in quantitative agreement with Monte Carlo simulation for the density and the mean electrostatic potential profiles over a wide range of electrolyte concentrations, surface charge densities, valence of small ions, and macroion sizes. The theory provides distinctive evidence of charge and size correlations within the electrode-electrolyte interface in spherical geometry.

Understanding the Conceptual Development Phase of Applied Theory-Building Research: A Grounded Approach

ERIC Educational Resources Information Center

Storberg-Walker, Julia

2007-01-01

This article presents a provisional grounded theory of conceptual development for applied theory-building research. The theory described here extends the understanding of the components of conceptual development and provides generalized relations among the components. The conceptual development phase of theory-building research has been widely…

Roll Damping Derivatives from Generalized Lifting-Surface Theory and Wind Tunnel Forced-Oscillation Tests

NASA Technical Reports Server (NTRS)

Pototzky, Anthony S; Murphy, Patrick C.

2014-01-01

Improving aerodynamic models for adverse loss-of-control conditions in flight is an area being researched under the NASA Aviation Safety Program. Aerodynamic models appropriate for loss of control conditions require a more general mathematical representation to predict nonlinear unsteady behaviors. As more general aerodynamic models are studied that include nonlinear higher order effects, the possibility of measurements that confound aerodynamic and structural responses are probable. In this study an initial step is taken to look at including structural flexibility in analysis of rigid-body forced-oscillation testing that accounts for dynamic rig, sting and balance flexibility. Because of the significant testing required and associated costs in a general study, it makes sense to capitalize on low cost analytical methods where possible, especially where structural flexibility can be accounted for by a low cost method. This paper provides an initial look at using linear lifting surface theory applied to rigid-body aircraft roll forced-oscillation tests.

Structural γ-ε phase transition in Fe-Mn alloys from a CPA  +  DMFT approach.

PubMed

Belozerov, A S; Poteryaev, A I; Skornyakov, S L; Anisimov, V I

2015-11-25

We present a computational scheme for total energy calculations of disordered alloys with strong electronic correlations. It employs the coherent potential approximation combined with the dynamical mean-field theory and allows one to study the structural transformations. The material-specific Hamiltonians in the Wannier function basis are obtained by density functional theory. The proposed computational scheme is applied to study the γ-ε structural transition in paramagnetic Fe-Mn alloys for Mn content from 10 to 20 at.%. The electronic correlations are found to play a crucial role in this transition. The calculated transition temperature decreases with increasing Mn content and is in good agreement with experiment. We demonstrate that in contrast to the α-γ transition in pure iron, the γ-ε transition in Fe-Mn alloys is driven by a combination of kinetic and Coulomb energies. The latter is found to be responsible for the decrease of the γ-ε transition temperature with Mn content.

Research and application on imaging technology of line structure light based on confocal microscopy

NASA Astrophysics Data System (ADS)

Han, Wenfeng; Xiao, Zexin; Wang, Xiaofen

2009-11-01

In 2005, the theory of line structure light confocal microscopy was put forward firstly in China by Xingyu Gao and Zexin Xiao in the Institute of Opt-mechatronics of Guilin University of Electronic Technology. Though the lateral resolution of line confocal microscopy can only reach or approach the level of the traditional dot confocal microscopy. But compared with traditional dot confocal microscopy, it has two advantages: first, by substituting line scanning for dot scanning, plane imaging only performs one-dimensional scanning, with imaging velocity greatly improved and scanning mechanism simplified, second, transfer quantity of light is greatly improved by substituting detection hairline for detection pinhole, and low illumination CCD is used directly to collect images instead of photoelectric intensifier. In order to apply the line confocal microscopy to practical system, based on the further research on the theory of the line confocal microscopy, imaging technology of line structure light is put forward on condition of implementation of confocal microscopy. Its validity and reliability are also verified by experiments.

Climate effects and feedback structure determining weed population dynamics in a long-term experiment.

PubMed

Lima, Mauricio; Navarrete, Luis; González-Andujar, José Luis

2012-01-01

Pest control is one of the areas in which population dynamic theory has been successfully applied to solve practical problems. However, the links between population dynamic theory and model construction have been less emphasized in the management and control of weed populations. Most management models of weed population dynamics have emphasized the role of the endogenous process, but the role of exogenous variables such as climate have been ignored in the study of weed populations and their management. Here, we use long-term data (22 years) on two annual weed species from a locality in Central Spain to determine the importance of endogenous and exogenous processes (local and large-scale climate factors). Our modeling study determined two different feedback structures and climate effects in the two weed species analyzed. While Descurainia sophia exhibited a second-order feedback and low climate influence, Veronica hederifolia was characterized by a first-order feedback structure and important effects from temperature and rainfall. Our results strongly suggest the importance of theoretical population dynamics in understanding plant population systems. Moreover, the use of this approach, discerning between the effect of exogenous and endogenous factors, can be fundamental to applying weed management practices in agricultural systems and to controlling invasive weedy species. This is a radical change from most approaches currently used to guide weed and invasive weedy species managements.

Climate Effects and Feedback Structure Determining Weed Population Dynamics in a Long-Term Experiment

PubMed Central

Lima, Mauricio; Navarrete, Luis; González-Andujar, José Luis

2012-01-01

Pest control is one of the areas in which population dynamic theory has been successfully applied to solve practical problems. However, the links between population dynamic theory and model construction have been less emphasized in the management and control of weed populations. Most management models of weed population dynamics have emphasized the role of the endogenous process, but the role of exogenous variables such as climate have been ignored in the study of weed populations and their management. Here, we use long-term data (22 years) on two annual weed species from a locality in Central Spain to determine the importance of endogenous and exogenous processes (local and large-scale climate factors). Our modeling study determined two different feedback structures and climate effects in the two weed species analyzed. While Descurainia sophia exhibited a second-order feedback and low climate influence, Veronica hederifolia was characterized by a first-order feedback structure and important effects from temperature and rainfall. Our results strongly suggest the importance of theoretical population dynamics in understanding plant population systems. Moreover, the use of this approach, discerning between the effect of exogenous and endogenous factors, can be fundamental to applying weed management practices in agricultural systems and to controlling invasive weedy species. This is a radical change from most approaches currently used to guide weed and invasive weedy species managements. PMID:22272362

A spatiotemporal structure: common to subatomic systems, biological processes, and economic cycles

NASA Astrophysics Data System (ADS)

Naitoh, Ken

2012-03-01

A theoretical model derived based on a quasi-stability concept applied to momentum conservation (Naitoh, JJIAM, 2001, Artificial Life Robotics, 2008, 2010) has revealed the spatial structure of various systems. This model explains the reason why particles such as biological cells, nitrogenous bases, and liquid droplets have bimodal size ratios of about 2:3 and 1:1. This paper shows that the same theory holds true for several levels of parcels from baryons to stars in the cosmos: specifically, at the levels of nuclear force, van der Waals force, surface tension, and the force of gravity. A higher order of analysis clarifies other asymmetric ratios related to the halo structure seen in atoms and amino acids. We will also show that our minimum hypercycle theory for explaining the morphogenetic cycle (Naitoh, Artificial Life Robotics, 2008) reveals other temporal cycles such as those of economic systems and the circadian clock as well as the fundamental neural network pattern (topological pattern). Finally, a universal equation describing the spatiotemporal structure of several systems will be derived, which also leads to a general concept of quasi-stability.

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

PubMed

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

2006-06-01

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

All-Atom Multiscale Molecular Dynamics Theory and Simulation of Self-Assembly, Energy Transfer and Structural Transition in Nanosystems

NASA Astrophysics Data System (ADS)

Espinosa Duran, John Michael

The study of nanosystems and their emergent properties requires the development of multiscale computational models, theories and methods that preserve atomic and femtosecond resolution, to reveal details that cannot be resolved experimentally today. Considering this, three long time scale phenomena were studied using molecular dynamics and multiscale methods: self-assembly of organic molecules on graphite, energy transfer in nanosystems, and structural transition in vault nanoparticles. Molecular dynamics simulations of the self-assembly of alkoxybenzonitriles with different tail lengths on graphite were performed to learn about intermolecular interactions and phases exhibited by self-organized materials. This is important for the design of ordered self-assembled organic photovoltaic materials with greater efficiency than the disordered blends. Simulations revealed surface dynamical behaviors that cannot be resolved experimentally today due to the lack of spatiotemporal resolution. Atom-resolved structures predicted by simulations agreed with scanning tunneling microscopy images and unit cell measurements. Then, a multiscale theory based on the energy density as a field variable is developed to study energy transfer in nanoscale systems. For applications like photothermal microscopy or cancer phototherapy is required to understand how the energy is transferred to/from nanosystems. This multiscale theory could be applied in this context and here is tested for cubic nanoparticles immersed in water for energy being transferred to/from the nanoparticle. The theory predicts the energy transfer dynamics and reveals phenomena that cannot be described by current phenomenological theories. Finally, temperature-triggered structural transitions were revealed for vault nanoparticles using molecular dynamics and multiscale simulations. Vault is a football-shaped supramolecular assembly very distinct from the commonly observed icosahedral viruses. It has very promising applications in drug delivery and has been extensively studied experimentally. Sub-microsecond multiscale simulations at 310 K on the vault revealed the opening and closing of fractures near the shoulder while preserving the overall structure. This fracture mechanism could explain the uptake and release of small drugs while maintaining the overall structure. Higher temperature simulations show the generation of large fractures near the waist, which enables interaction of the external medium with the inner vault residues. Simulation results agreed with microscopy and spectroscopy measurements, and revealed new structures and mechanisms.

Black holes and global structures of spherical spacetimes in Horava-Lifshitz theory

NASA Astrophysics Data System (ADS)

Greenwald, Jared; Lenells, Jonatan; Lu, J. X.; Satheeshkumar, V. H.; Wang, Anzhong

2011-10-01

We systematically study black holes in the Horava-Lifshitz theory by following the kinematic approach, in which a horizon is defined as the surface at which massless test particles are infinitely redshifted. Because of the nonrelativistic dispersion relations, the speed of light is unlimited, and test particles do not follow geodesics. As a result, there are significant differences in causal structures and black holes between general relativity (GR) and the Horava-Lifshitz theory. In particular, the horizon radii generically depend on the energies of test particles. Applying them to the spherical static vacuum solutions found recently in the nonrelativistic general covariant theory of gravity, we find that, for test particles with sufficiently high energy, the radius of the horizon can be made as small as desired, although the singularities can be seen, in principle, only by observers with infinitely high energy. In these studies, we pay particular attention to the global structure of the solutions, and find that, because of the foliation-preserving-diffeomorphism symmetry, Diff(M,F), they are quite different from the corresponding ones given in GR, even though the solutions are the same. In particular, the Diff(M,F) does not allow Penrose diagrams. Among the vacuum solutions, some give rise to the structure of the Einstein-Rosen bridge, in which two asymptotically flat regions are connected by a throat with a finite nonzero radius. We also study slowly rotating solutions in such a setup, and obtain all the solutions characterized by an arbitrary function A0(r). The case A0=0 reduces to the slowly rotating Kerr solution obtained in GR.

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

PubMed

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

2018-01-01

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

Non-collinear magnetism with analytic Bond-Order Potentials

NASA Astrophysics Data System (ADS)

Ford, Michael E.; Pettifor, D. G.; Drautz, Ralf

2015-03-01

The theory of analytic Bond-Order Potentials as applied to non-collinear magnetic structures of transition metals is extended to take into account explicit rotations of Hamiltonian and local moment matrix elements between locally and globally defined spin-coordinate systems. Expressions for the gradients of the energy with respect to the Hamiltonian matrix elements, the interatomic forces and the magnetic torques are derived. The method is applied to simulations of the rotation of magnetic moments in α iron, as well as α and β manganese, based on d-valent orthogonal tight-binding parametrizations of the electronic structure. A new weighted-average terminator is introduced to improve the convergence of the Bond-Order Potential energies and torques with respect to tight-binding reference values, although the general behavior is qualitatively correct for low-moment expansions.

Coherent transport structures in magnetized plasmas. I. Theory

NASA Astrophysics Data System (ADS)

Di Giannatale, G.; Falessi, M. V.; Grasso, D.; Pegoraro, F.; Schep, T. J.

2018-05-01

In a pair of linked articles (called Papers I and II, respectively), we apply the concept of Lagrangian Coherent Structures (LCSs) borrowed from the study of dynamical systems to magnetic field configurations in order to separate regions where field lines have a different kind of behaviour. In the present article, Paper I, after recalling the definition and the properties of the LCSs, we show how this conceptual framework can be applied to the study of particle transport in a magnetized plasma. Furthermore, we introduce a simplified model that allows us to consider explicitly the case where the magnetic configuration evolves in time on time scales comparable to the particle transit time through the configuration. In contrast with previous works on this topic, this analysis requires that a system that is aperiodic in time be investigated.

Structural, electronic and thermal properties of super hard ternary boride, WAlB

NASA Astrophysics Data System (ADS)

Rajpoot, Priyanka; Rastogi, Anugya; Verma, U. P.

2018-04-01

A first principle study of the structural, electronic and thermal properties of Tungsten Aluminum Boride (WAlB) using full-potential linearized augmented plane wave (FP-LAPW) in the frame work of density function theory (DFT) have been calculated. The calculated equilibrium structural parameters are in excellent agreement with available experimental results. The calculated electronic band structure reveals that WAlB is metallic in nature. The quasi-harmonic Debye model is applied to study of the temperature and pressure effect on volume, Debye temperature, thermal expansion coefficient and specific heat at constant volume and constant pressure. To the best of our knowledge theoretical investigation of these properties of WAlB is reported for the first time.

Unified constitutive models for high-temperature structural applications

NASA Technical Reports Server (NTRS)

Lindholm, U. S.; Chan, K. S.; Bodner, S. R.; Weber, R. M.; Walker, K. P.

1988-01-01

Unified constitutive models are characterized by the use of a single inelastic strain rate term for treating all aspects of inelastic deformation, including plasticity, creep, and stress relaxation under monotonic or cyclic loading. The structure of this class of constitutive theory pertinent for high temperature structural applications is first outlined and discussed. The effectiveness of the unified approach for representing high temperature deformation of Ni-base alloys is then evaluated by extensive comparison of experimental data and predictions of the Bodner-Partom and the Walker models. The use of the unified approach for hot section structural component analyses is demonstrated by applying the Walker model in finite element analyses of a benchmark notch problem and a turbine blade problem.

First-principles study of structural and electronic properties of Be0.25Zn0.75S mixed compound

NASA Astrophysics Data System (ADS)

Paliwal, U.; Joshi, K. B.

2018-05-01

In this work the first-principles study of structural and electronic properties of Be0.25Zn0.75S mixed compound is presented. The calculations are performed applying the QUANTUM ESPRESSO code utilizing the Perdew, Becke, Ernzerhof generalized gradient approximation in the framework of density functional theory. Adopting standard optimization strategy, the ground state equilibrium lattice constant and bulk modulus are calculated. After settling the structure the electronic band structure, bandgap and static dielectric constant are evaluated. In absence of any experimental work on this system our findings are compared with the available theoretical calculations which are found to follow well anticipated general trends.

Soil compaction: Evaluation of stress transmission and resulting soil structure

NASA Astrophysics Data System (ADS)

Naveed, Muhammad; Schjønning, Per; Keller, Thomas; Lamande, Mathieu

2016-04-01

Accurate estimation of stress transmission and resultant deformation in soil profiles is a prerequisite for the development of predictive models and decision support tools for preventing soil compaction. Numerous studies have been carried out on the effects of soil compaction, whilst relatively few studies have focused on the cause (mode of stress transmission in the soil). We have coupled both cause and effects together in the present study by carrying out partially confined compression tests on (1) wet aggregates, (2) air dry aggregates, and (3) intact soils to quantify stress transmission and compaction-resulted soil structure at the same time. Stress transmission was quantified using both X-ray CT and Tactilus sensor mat, and soil-pore structure was quantified using X-ray CT. Our results imply that stress transmission through soil highly depends on the magnitude of applied load and aggregate strength. As soon as the applied load is lower than the aggregate strength, the mode of stress transmission is discrete as stresses were mainly transmitted through chain of aggregates. With increasing applied load soil aggregates start deforming that transformed heterogeneous soil into homogenous, as a result stress transmission mode was shifted from discrete towards more like a continuum. Continuum-like stress transmission mode was better simulated with Boussinesq (1885) model based on theory of elasticity compared to discrete. The soil-pore structure was greatly affected by increasing applied stresses. Total porosity was reduced 5-16% and macroporosity 50-85% at 620 kPa applied stress for the intact soils. Similarly, significant changes in the morphological indices of the macropore space were also observed with increasing applied stresses.

Structural interactions in ionic liquids linked to higher-order Poisson-Boltzmann equations

NASA Astrophysics Data System (ADS)

Blossey, R.; Maggs, A. C.; Podgornik, R.

2017-06-01

We present a derivation of generalized Poisson-Boltzmann equations starting from classical theories of binary fluid mixtures, employing an approach based on the Legendre transform as recently applied to the case of local descriptions of the fluid free energy. Under specific symmetry assumptions, and in the linearized regime, the Poisson-Boltzmann equation reduces to a phenomenological equation introduced by Bazant et al. [Phys. Rev. Lett. 106, 046102 (2011)], 10.1103/PhysRevLett.106.046102, whereby the structuring near the surface is determined by bulk coefficients.

Applied Linguistics: The Challenge of Theory

ERIC Educational Resources Information Center

McNamara, Tim

2015-01-01

Language has featured prominently in contemporary social theory, but the relevance of this fact to the concerns of Applied Linguistics, with its necessary orientation to practical issues of language in context, represents an ongoing challenge. This article supports the need for a greater engagement with theory in Applied Linguistics. It considers…

Polarized optical scattering by inhomogeneities and surface roughness in an anisotropic thin film

DOE PAGES

Germer, Thomas A.; Sharma, Katelynn A.; Brown, Thomas G.; ...

2017-10-18

We extend the theory for scattering by oblique columnar structure thin films to include the induced form birefringence and the propagation of radiation in those films. We generalize the 4 × 4 matrix theory to include arbitrary sources in the layer, which are necessary to determine the Green function for the inhomogeneous wave equation. We further extend first-order vector perturbation theory for scattering by roughness in the smooth surface limit, when the layer is anisotropic. Scattering by an inhomogeneous medium is approximated by a distorted Born approximation, where effective medium theory is used to determine the effective properties of themore » medium and strong fluctuation theory is used to determine the inhomogeneous sources. In this manner, we develop a model for scattering by inhomogeneous films, with anisotropic correlation functions. Here, the results are compared to Mueller matrix bidirectional scattering distribution function measurements for a glancing-angle deposition (GLAD) film. While the results are applied to the GLAD film example, the development of the theory is general enough that it can guide simulations for scattering in other anisotropic thin films.« less

The (kinetic) theory of active particles applied to learning dynamics. Comment on "Collective learning modeling based on the kinetic theory of active particles" by D. Burini et al.

NASA Astrophysics Data System (ADS)

Nieto, J.

2016-03-01

The learning phenomena, their complexity, concepts, structure, suitable theories and models, have been extensively treated in the mathematical literature in the last century, and [4] contains a very good introduction to the literature describing the many approaches and lines of research developed about them. Two main schools have to be pointed out [5] in order to understand the two -not exclusive- kinds of existing models: the stimulus sampling models and the stochastic learning models. Also [6] should be mentioned as a survey where two methods of learning are pointed out, the cognitive and the social, and where the knowledge looks like a mathematical unknown. Finally, as the authors do, we refer to the works [9,10], where the concept of population thinking was introduced and which motivate the game theory rules as a tool (both included in [4] to develop their theory) and [7], where the ideas of developing a mathematical kinetic theory of perception and learning were proposed.

Virtue theory and abortion.

PubMed

Hursthouse, Rosalind

1991-01-01

The sort of ethical theory derived from Aristotle, variously described as virtue ethics, virtue-based ethics, or neo-Aristotelianism, is becoming better known, and is now quite widely recognized as at least a possible rival to deontological and utilitarian theories. With recognition has come criticism, of varying quality. In this article I shall discuss nine separate criticisms that I have frequently encountered, most of which seem to me to betray an inadequate grasp either of the structure of virtue theory or of what would be involved in thinking about a real moral issue in its terms. In the first half I aim particularly to secure an understanding that will reveal that many of these criticisms are simply misplaced, and to articulate what I take to be the major criticism of virtue theory. I reject this criticism, but do not claim that it is necessarily misplaced. In the second half I aim to deepen that understanding and highlight the issues raised by the criticisms by illustrating what the theory looks like when it is applied to a particular issue, in this case, abortion.

Advancing Efficient All-Electron Electronic Structure Methods Based on Numeric Atom-Centered Orbitals for Energy Related Materials

NASA Astrophysics Data System (ADS)

Blum, Volker

This talk describes recent advances of a general, efficient, accurate all-electron electronic theory approach based on numeric atom-centered orbitals; emphasis is placed on developments related to materials for energy conversion and their discovery. For total energies and electron band structures, we show that the overall accuracy is on par with the best benchmark quality codes for materials, but scalable to large system sizes (1,000s of atoms) and amenable to both periodic and non-periodic simulations. A recent localized resolution-of-identity approach for the Coulomb operator enables O (N) hybrid functional based descriptions of the electronic structure of non-periodic and periodic systems, shown for supercell sizes up to 1,000 atoms; the same approach yields accurate results for many-body perturbation theory as well. For molecular systems, we also show how many-body perturbation theory for charged and neutral quasiparticle excitation energies can be efficiently yet accurately applied using basis sets of computationally manageable size. Finally, the talk highlights applications to the electronic structure of hybrid organic-inorganic perovskite materials, as well as to graphene-based substrates for possible future transition metal compound based electrocatalyst materials. All methods described here are part of the FHI-aims code. VB gratefully acknowledges contributions by numerous collaborators at Duke University, Fritz Haber Institute Berlin, TU Munich, USTC Hefei, Aalto University, and many others around the globe.

Intermediate-energy inverse-kinematics one-proton pickup reactions on neutron-deficient fp-shell nuclei

NASA Astrophysics Data System (ADS)

McDaniel, S.; Gade, A.; Tostevin, J. A.; Baugher, T.; Bazin, D.; Brown, B. A.; Cook, J. M.; Glasmacher, T.; Grinyer, G. F.; Ratkiewicz, A.; Weisshaar, D.

2012-01-01

Background: Thick-target-induced nucleon-adding transfer reactions onto energetic rare-isotope beams are an emerging spectroscopic tool. Their sensitivity to single-particle structure complements one-nucleon removal reaction capabilities in the quest to reveal the evolution of nuclear shell structure in very exotic nuclei. Purpose: Our purpose is to add intermediate-energy, carbon-target-induced one-proton pickup reactions to the arsenal of γ-ray-tagged direct reactions applicable in the regime of low beam intensities and to apply these for the first time to fp-shell nuclei. Methods: Inclusive and partial cross sections were measured for the 12C(48Cr,49Mn+γ)X and 12C(50Fe,51Co+γ)X proton pickup reactions at 56.7 and 61.2 MeV/nucleon, respectively, using coincident particle-γ spectroscopy at the National Superconducting Cyclotron Laboratory. The results are compared to reaction theory calculations using fp-shell-model nuclear structure input. For comparison with our previous work, the same reactions were measured on 9Be targets. Results: The measured partial cross sections confirm the specific population pattern predicted by theory, with pickup into high-ℓ orbitals being strongly favored, driven by linear and angular momentum matching. Conclusion: Carbon-target-induced pickup reactions are well suited, in the regime of modest beam intensity, to study the evolution of nuclear structure, with specific sensitivities that are well described by theory.

Informal Theory: The Ignored Link in Theory-to-Practice

ERIC Educational Resources Information Center

Love, Patrick

2012-01-01

Applying theory to practice in student affairs is dominated by the assumption that formal theory is directly applied to practice. Among the problems with this assumption is that many practitioners believe they must choose between their lived experiences and formal theory, and that graduate students are taught that their experience "does not…

Reliability analysis of the objective structured clinical examination using generalizability theory.

PubMed

Trejo-Mejía, Juan Andrés; Sánchez-Mendiola, Melchor; Méndez-Ramírez, Ignacio; Martínez-González, Adrián

2016-01-01

The objective structured clinical examination (OSCE) is a widely used method for assessing clinical competence in health sciences education. Studies using this method have shown evidence of validity and reliability. There are no published studies of OSCE reliability measurement with generalizability theory (G-theory) in Latin America. The aims of this study were to assess the reliability of an OSCE in medical students using G-theory and explore its usefulness for quality improvement. An observational cross-sectional study was conducted at National Autonomous University of Mexico (UNAM) Faculty of Medicine in Mexico City. A total of 278 fifth-year medical students were assessed with an 18-station OSCE in a summative end-of-career final examination. There were four exam versions. G-theory with a crossover random effects design was used to identify the main sources of variance. Examiners, standardized patients, and cases were considered as a single facet of analysis. The exam was applied to 278 medical students. The OSCE had a generalizability coefficient of 0.93. The major components of variance were stations, students, and residual error. The sites and the versions of the tests had minimum variance. Our study achieved a G coefficient similar to that found in other reports, which is acceptable for summative tests. G-theory allows the estimation of the magnitude of multiple sources of error and helps decision makers to determine the number of stations, test versions, and examiners needed to obtain reliable measurements.

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

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

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

Beyond the continuum: how molecular solvent structure affects electrostatics and hydrodynamics at solid-electrolyte interfaces.

PubMed

Bonthuis, Douwe Jan; Netz, Roland R

2013-10-03

Standard continuum theory fails to predict several key experimental results of electrostatic and electrokinetic measurements at aqueous electrolyte interfaces. In order to extend the continuum theory to include the effects of molecular solvent structure, we generalize the equations for electrokinetic transport to incorporate a space dependent dielectric profile, viscosity profile, and non-electrostatic interaction potential. All necessary profiles are extracted from atomistic molecular dynamics (MD) simulations. We show that the MD results for the ion-specific distribution of counterions at charged hydrophilic and hydrophobic interfaces are accurately reproduced using the dielectric profile of pure water and a non-electrostatic repulsion in an extended Poisson-Boltzmann equation. The distributions of Na(+) at both surface types and Cl(-) at hydrophilic surfaces can be modeled using linear dielectric response theory, whereas for Cl(-) at hydrophobic surfaces it is necessary to apply nonlinear response theory. The extended Poisson-Boltzmann equation reproduces the experimental values of the double-layer capacitance for many different carbon-based surfaces. In conjunction with a generalized hydrodynamic theory that accounts for a space dependent viscosity, the model captures the experimentally observed saturation of the electrokinetic mobility as a function of the bare surface charge density and the so-called anomalous double-layer conductivity. The two-scale approach employed here-MD simulations and continuum theory-constitutes a successful modeling scheme, providing basic insight into the molecular origins of the static and kinetic properties of charged surfaces, and allowing quantitative modeling at low computational cost.

Reliability analysis of the objective structured clinical examination using generalizability theory.

PubMed

Trejo-Mejía, Juan Andrés; Sánchez-Mendiola, Melchor; Méndez-Ramírez, Ignacio; Martínez-González, Adrián

2016-01-01

Background The objective structured clinical examination (OSCE) is a widely used method for assessing clinical competence in health sciences education. Studies using this method have shown evidence of validity and reliability. There are no published studies of OSCE reliability measurement with generalizability theory (G-theory) in Latin America. The aims of this study were to assess the reliability of an OSCE in medical students using G-theory and explore its usefulness for quality improvement. Methods An observational cross-sectional study was conducted at National Autonomous University of Mexico (UNAM) Faculty of Medicine in Mexico City. A total of 278 fifth-year medical students were assessed with an 18-station OSCE in a summative end-of-career final examination. There were four exam versions. G-theory with a crossover random effects design was used to identify the main sources of variance. Examiners, standardized patients, and cases were considered as a single facet of analysis. Results The exam was applied to 278 medical students. The OSCE had a generalizability coefficient of 0.93. The major components of variance were stations, students, and residual error. The sites and the versions of the tests had minimum variance. Conclusions Our study achieved a G coefficient similar to that found in other reports, which is acceptable for summative tests. G-theory allows the estimation of the magnitude of multiple sources of error and helps decision makers to determine the number of stations, test versions, and examiners needed to obtain reliable measurements.

Evolutionary Optimization of a Geometrically Refined Truss

NASA Technical Reports Server (NTRS)

Hull, P. V.; Tinker, M. L.; Dozier, G. V.

2007-01-01

Structural optimization is a field of research that has experienced noteworthy growth for many years. Researchers in this area have developed optimization tools to successfully design and model structures, typically minimizing mass while maintaining certain deflection and stress constraints. Numerous optimization studies have been performed to minimize mass, deflection, and stress on a benchmark cantilever truss problem. Predominantly traditional optimization theory is applied to this problem. The cross-sectional area of each member is optimized to minimize the aforementioned objectives. This Technical Publication (TP) presents a structural optimization technique that has been previously applied to compliant mechanism design. This technique demonstrates a method that combines topology optimization, geometric refinement, finite element analysis, and two forms of evolutionary computation: genetic algorithms and differential evolution to successfully optimize a benchmark structural optimization problem. A nontraditional solution to the benchmark problem is presented in this TP, specifically a geometrically refined topological solution. The design process begins with an alternate control mesh formulation, multilevel geometric smoothing operation, and an elastostatic structural analysis. The design process is wrapped in an evolutionary computing optimization toolset.

Robust Measurement via A Fused Latent and Graphical Item Response Theory Model.

PubMed

Chen, Yunxiao; Li, Xiaoou; Liu, Jingchen; Ying, Zhiliang

2018-03-12

Item response theory (IRT) plays an important role in psychological and educational measurement. Unlike the classical testing theory, IRT models aggregate the item level information, yielding more accurate measurements. Most IRT models assume local independence, an assumption not likely to be satisfied in practice, especially when the number of items is large. Results in the literature and simulation studies in this paper reveal that misspecifying the local independence assumption may result in inaccurate measurements and differential item functioning. To provide more robust measurements, we propose an integrated approach by adding a graphical component to a multidimensional IRT model that can offset the effect of unknown local dependence. The new model contains a confirmatory latent variable component, which measures the targeted latent traits, and a graphical component, which captures the local dependence. An efficient proximal algorithm is proposed for the parameter estimation and structure learning of the local dependence. This approach can substantially improve the measurement, given no prior information on the local dependence structure. The model can be applied to measure both a unidimensional latent trait and multidimensional latent traits.

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

Lyakh, Dmitry I.

An efficient parallel tensor transpose algorithm is suggested for shared-memory computing units, namely, multicore CPU, Intel Xeon Phi, and NVidia GPU. The algorithm operates on dense tensors (multidimensional arrays) and is based on the optimization of cache utilization on x86 CPU and the use of shared memory on NVidia GPU. From the applied side, the ultimate goal is to minimize the overhead encountered in the transformation of tensor contractions into matrix multiplications in computer implementations of advanced methods of quantum many-body theory (e.g., in electronic structure theory and nuclear physics). A particular accent is made on higher-dimensional tensors that typicallymore » appear in the so-called multireference correlated methods of electronic structure theory. Depending on tensor dimensionality, the presented optimized algorithms can achieve an order of magnitude speedup on x86 CPUs and 2-3 times speedup on NVidia Tesla K20X GPU with respect to the na ve scattering algorithm (no memory access optimization). Furthermore, the tensor transpose routines developed in this work have been incorporated into a general-purpose tensor algebra library (TAL-SH).« less

Stellar structure and compact objects before 1940: Towards relativistic astrophysics

NASA Astrophysics Data System (ADS)

Bonolis, Luisa

2017-06-01

Since the mid-1920s, different strands of research used stars as "physics laboratories" for investigating the nature of matter under extreme densities and pressures, impossible to realize on Earth. To trace this process this paper is following the evolution of the concept of a dense core in stars, which was important both for an understanding of stellar evolution and as a testing ground for the fast-evolving field of nuclear physics. In spite of the divide between physicists and astrophysicists, some key actors working in the cross-fertilized soil of overlapping but different scientific cultures formulated models and tentative theories that gradually evolved into more realistic and structured astrophysical objects. These investigations culminated in the first contact with general relativity in 1939, when J. Robert Oppenheimer and his students George Volkoff and Hartland Snyder systematically applied the theory to the dense core of a collapsing neutron star. This pioneering application of Einstein's theory to an astrophysical compact object can be regarded as a milestone in the path eventually leading to the emergence of relativistic astrophysics in the early 1960s.

Adaptive Control of Linear Modal Systems Using Residual Mode Filters and a Simple Disturbance Estimator

NASA Technical Reports Server (NTRS)

Balas, Mark; Frost, Susan

2012-01-01

Flexible structures containing a large number of modes can benefit from adaptive control techniques which are well suited to applications that have unknown modeling parameters and poorly known operating conditions. In this paper, we focus on a direct adaptive control approach that has been extended to handle adaptive rejection of persistent disturbances. We extend our adaptive control theory to accommodate troublesome modal subsystems of a plant that might inhibit the adaptive controller. In some cases the plant does not satisfy the requirements of Almost Strict Positive Realness. Instead, there maybe be a modal subsystem that inhibits this property. This section will present new results for our adaptive control theory. We will modify the adaptive controller with a Residual Mode Filter (RMF) to compensate for the troublesome modal subsystem, or the Q modes. Here we present the theory for adaptive controllers modified by RMFs, with attention to the issue of disturbances propagating through the Q modes. We apply the theoretical results to a flexible structure example to illustrate the behavior with and without the residual mode filter.

Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory

DOE PAGES

Tait, E. W.; Ratcliff, L. E.; Payne, M. C.; ...

2016-04-20

Experimental techniques for electron energy loss spectroscopy (EELS) combine high energy resolution with high spatial resolution. They are therefore powerful tools for investigating the local electronic structure of complex systems such as nanostructures, interfaces and even individual defects. Interpretation of experimental electron energy loss spectra is often challenging and can require theoretical modelling of candidate structures, which themselves may be large and complex, beyond the capabilities of traditional cubic-scaling density functional theory. In this work, we present functionality to compute electron energy loss spectra within the onetep linear-scaling density functional theory code. We first demonstrate that simulated spectra agree withmore » those computed using conventional plane wave pseudopotential methods to a high degree of precision. The ability of onetep to tackle large problems is then exploited to investigate convergence of spectra with respect to supercell size. As a result, we apply the novel functionality to a study of the electron energy loss spectra of defects on the (1 0 1) surface of an anatase slab and determine concentrations of defects which might be experimentally detectable.« less

Interacting quasi-band theory for electronic states in compound semiconductor alloys: Wurtzite structure

NASA Astrophysics Data System (ADS)

Kishi, Ayaka; Oda, Masato; Shinozuka, Yuzo

2016-05-01

This paper reports on the electronic states of compound semiconductor alloys of wurtzite structure calculated by the recently proposed interacting quasi-band (IQB) theory combined with empirical sp3 tight-binding models. Solving derived quasi-Hamiltonian 24 × 24 matrix that is characterized by the crystal parameters of the constituents facilitates the calculation of the conduction and valence bands of wurtzite alloys for arbitrary concentrations under a unified scheme. The theory is applied to III-V and II-VI wurtzite alloys: cation-substituted Al1- x Ga x N and Ga1- x In x N and anion-substituted CdS1- x Se x and ZnO1- x S x . The obtained results agree well with the experimental data, and are discussed in terms of mutual mixing between the quasi-localized states (QLS) and quasi-average bands (QAB): the latter bands are approximately given by the virtual crystal approximation (VCA). The changes in the valence and conduction bands, and the origin of the band gap bowing are discussed on the basis of mixing character.

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

PubMed Central

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

2014-01-01

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

An efficient tensor transpose algorithm for multicore CPU, Intel Xeon Phi, and NVidia Tesla GPU

NASA Astrophysics Data System (ADS)

Lyakh, Dmitry I.

2015-04-01

An efficient parallel tensor transpose algorithm is suggested for shared-memory computing units, namely, multicore CPU, Intel Xeon Phi, and NVidia GPU. The algorithm operates on dense tensors (multidimensional arrays) and is based on the optimization of cache utilization on x86 CPU and the use of shared memory on NVidia GPU. From the applied side, the ultimate goal is to minimize the overhead encountered in the transformation of tensor contractions into matrix multiplications in computer implementations of advanced methods of quantum many-body theory (e.g., in electronic structure theory and nuclear physics). A particular accent is made on higher-dimensional tensors that typically appear in the so-called multireference correlated methods of electronic structure theory. Depending on tensor dimensionality, the presented optimized algorithms can achieve an order of magnitude speedup on x86 CPUs and 2-3 times speedup on NVidia Tesla K20X GPU with respect to the naïve scattering algorithm (no memory access optimization). The tensor transpose routines developed in this work have been incorporated into a general-purpose tensor algebra library (TAL-SH).

A survey of visual preprocessing and shape representation techniques

NASA Technical Reports Server (NTRS)

Olshausen, Bruno A.

1988-01-01

Many recent theories and methods proposed for visual preprocessing and shape representation are summarized. The survey brings together research from the fields of biology, psychology, computer science, electrical engineering, and most recently, neural networks. It was motivated by the need to preprocess images for a sparse distributed memory (SDM), but the techniques presented may also prove useful for applying other associative memories to visual pattern recognition. The material of this survey is divided into three sections: an overview of biological visual processing; methods of preprocessing (extracting parts of shape, texture, motion, and depth); and shape representation and recognition (form invariance, primitives and structural descriptions, and theories of attention).

Asymptotic/numerical analysis of supersonic propeller noise

NASA Technical Reports Server (NTRS)

Myers, M. K.; Wydeven, R.

1989-01-01

An asymptotic analysis based on the Mach surface structure of the field of a supersonic helical source distribution is applied to predict thickness and loading noise radiated by high speed propeller blades. The theory utilizes an integral representation of the Ffowcs-Williams Hawkings equation in a fully linearized form. The asymptotic results are used for chordwise strips of the blade, while required spanwise integrations are performed numerically. The form of the analysis enables predicted waveforms to be interpreted in terms of Mach surface propagation. A computer code developed to implement the theory is described and found to yield results in close agreement with more exact computations.

Non-circulatory fluid forces on porous bodies with application to panel flutter

NASA Astrophysics Data System (ADS)

Hajian, Rozhin; Jaworski, Justin W.

2017-11-01

The non-circulatory fluid forces acting on an oscillating porous panel or airfoil in uniform incompressible flow are derived from linearized potential theory. The fundamental integral equation for Holder-continuous porosity distributions is formulated and solved numerically for the special cases of non-porous and uniformly-porous panels with prescribed structural deformations. The new unsteady aerodynamic forces are then applied to aeroelastic stability predictions for porous panels or liners. Results from this analysis aim to form the basis of a complete unsteady aerodynamic theory for porous airfoils and their acoustic emissions based upon the unique attributes of natural fliers and swimmers.

Gauge fields at finite temperatures—"Thermo field dynamics" and the KMS condition and their extension to gauge theories

NASA Astrophysics Data System (ADS)

Ojima, Izumi

1981-11-01

"Thermo field dynamics," allowing the Feynman diagram method to be applied to real-time causal Green's functions at finite temperatures ( not temperature Green's functions with imaginary times) expressed in the form of "vacuum" expectation values, is reconsidered in light of its connection with the algebraic formulation of statical machanics based upon the KMS condition. On the basis of so-obtained general basic formulae, the formalism is extended to the case of gauge theories, where the subsidiary condition specifying physical states, the notion of observables, and the structure of the physical subspace at finite temperatures are clarified.

Developing and Validating the Socio-Technical Model in Ontology Engineering

NASA Astrophysics Data System (ADS)

Silalahi, Mesnan; Indra Sensuse, Dana; Giri Sucahyo, Yudho; Fadhilah Akmaliah, Izzah; Rahayu, Puji; Cahyaningsih, Elin

2018-03-01

This paper describes results from an attempt to develop a model in ontology engineering methodology and a way to validate the model. The approach to methodology in ontology engineering is from the point view of socio-technical system theory. Qualitative research synthesis is used to build the model using meta-ethnography. In order to ensure the objectivity of the measurement, inter-rater reliability method was applied using a multi-rater Fleiss Kappa. The results show the accordance of the research output with the diamond model in the socio-technical system theory by evidence of the interdependency of the four socio-technical variables namely people, technology, structure and task.

A short review of theoretical and empirical models for characterization of optical materials doped with the transition metal and rare earth ions

NASA Astrophysics Data System (ADS)

Su, P.; Ma, C.-G.; Brik, M. G.; Srivastava, A. M.

2018-05-01

In this paper, a brief retrospective review of the main developments in crystal field theory is provided. We have examined how different crystal field models are applied to solve the problems that arise in the spectroscopy of optically active ions. Attention is focused on the joint application of crystal field and density functional theory (DFT) based models, which takes advantages of strong features of both individual approaches and allows for obtaining a complementary picture of the electronic properties of a doped crystal with impurity energy levels superimposed onto the host band structure.

Hetero-phase fluctuations in the pre-melting region in ionic crystals

NASA Astrophysics Data System (ADS)

Matsunaga, S.; Tamaki, S.

2008-06-01

The theory of the pre-melting phenomena in ionic crystals on the basis of the concept of the hetero phase fluctuation has been applied to KCl and AgCl crystal. The large scale molecular dynamics simulations (MD) in KCl and AgCl crystals are also performed to examine the ionic configuration in premelting region in the vicinity of their melting points. The size of the liquid like clusters are estimated by the theory and MD. The structural features of liquid like clusters are discussed by MD results using the Lindemann instability condition. The ionic conductivities in the pre-melting region are also discussed on the same theoretical basis.

Probabilistic brains: knowns and unknowns

PubMed Central

Pouget, Alexandre; Beck, Jeffrey M; Ma, Wei Ji; Latham, Peter E

2015-01-01

There is strong behavioral and physiological evidence that the brain both represents probability distributions and performs probabilistic inference. Computational neuroscientists have started to shed light on how these probabilistic representations and computations might be implemented in neural circuits. One particularly appealing aspect of these theories is their generality: they can be used to model a wide range of tasks, from sensory processing to high-level cognition. To date, however, these theories have only been applied to very simple tasks. Here we discuss the challenges that will emerge as researchers start focusing their efforts on real-life computations, with a focus on probabilistic learning, structural learning and approximate inference. PMID:23955561

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

PubMed

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

2017-03-28

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

Approximations of thermoelastic and viscoelastic control systems

NASA Technical Reports Server (NTRS)

Burns, J. A.; Liu, Z. Y.; Miller, R. E.

1990-01-01

Well-posed models and computational algorithms are developed and analyzed for control of a class of partial differential equations that describe the motions of thermo-viscoelastic structures. An abstract (state space) framework and a general well-posedness result are presented that can be applied to a large class of thermo-elastic and thermo-viscoelastic models. This state space framework is used in the development of a computational scheme to be used in the solution of a linear quadratic regulator (LQR) control problem. A detailed convergence proof is provided for the viscoelastic model and several numerical results are presented to illustrate the theory and to analyze problems for which the theory is incomplete.

Study on safety level of RC beam bridges under earthquake

NASA Astrophysics Data System (ADS)

Zhao, Jun; Lin, Junqi; Liu, Jinlong; Li, Jia

2017-08-01

This study considers uncertainties in material strengths and the modeling which have important effects on structural resistance force based on reliability theory. After analyzing the destruction mechanism of a RC bridge, structural functions and the reliability were given, then the safety level of the piers of a reinforced concrete continuous girder bridge with stochastic structural parameters against earthquake was analyzed. Using response surface method to calculate the failure probabilities of bridge piers under high-level earthquake, their seismic reliability for different damage states within the design reference period were calculated applying two-stage design, which describes seismic safety level of the built bridges to some extent.

Low energy dislocation structures in epitaxy

NASA Technical Reports Server (NTRS)

Van Der Merwe, Jan H.; Woltersdorf, J.; Jesser, W. A.

1986-01-01

The principle of minimum energy was applied to epitaxial interfaces to show the interrelationship beteen misfit, overgrowth thickness and misfit dislocation spacing. The low energy dislocation configurations were presented for selected interfacial geometries. A review of the interfacial energy calculations was made and a critical assessment of the agreement between theory and experiment was presented. Modes of misfit accommodation were presented with emphasis on the distinction between kinetic effects and equilibrium conditions. Two-dimensional and three-dimensional overgrowths were treated together with interdiffusion-modified interfaces, and several models of interfacial structure were treated including the classical and the current models. The paper is concluded by indicating areas of needed investigation into interfacial structure.

A slewing control experiment for flexible structures

NASA Technical Reports Server (NTRS)

Juang, J.-N.; Horta, L. G.; Robertshaw, H. H.

1985-01-01

A hardware set-up has been developed to study slewing control for flexible structures including a steel beam and a solar panel. The linear optimal terminal control law is used to design active controllers which are implemented in an analog computer. The objective of this experiment is to demonstrate and verify the dynamics and optimal terminal control laws as applied to flexible structures for large angle maneuver. Actuation is provided by an electric motor while sensing is given by strain gages and angle potentiometer. Experimental measurements are compared with analytical predictions in terms of modal parameters of the system stability matrix and sufficient agreement is achieved to validate the theory.

Peptide interfaces with graphene: an emerging intersection of analytical chemistry, theory, and materials.

PubMed

Russell, Shane R; Claridge, Shelley A

2016-04-01

Because noncovalent interface functionalization is frequently required in graphene-based devices, biomolecular self-assembly has begun to emerge as a route for controlling substrate electronic structure or binding specificity for soluble analytes. The remarkable diversity of structures that arise in biological self-assembly hints at the possibility of equally diverse and well-controlled surface chemistry at graphene interfaces. However, predicting and analyzing adsorbed monolayer structures at such interfaces raises substantial experimental and theoretical challenges. In contrast with the relatively well-developed monolayer chemistry and characterization methods applied at coinage metal surfaces, monolayers on graphene are both less robust and more structurally complex, levying more stringent requirements on characterization techniques. Theory presents opportunities to understand early binding events that lay the groundwork for full monolayer structure. However, predicting interactions between complex biomolecules, solvent, and substrate is necessitating a suite of new force fields and algorithms to assess likely binding configurations, solvent effects, and modulations to substrate electronic properties. This article briefly discusses emerging analytical and theoretical methods used to develop a rigorous chemical understanding of the self-assembly of peptide-graphene interfaces and prospects for future advances in the field.

Electronic Structure and Bonding in Complex Biomolecule

NASA Astrophysics Data System (ADS)

Ouyang, Lizhi

2005-03-01

For over a century vitamin B12 and its enzyme cofactor derivates have persistently attracted research efforts for their vital biological role, unique Co-C bonding, rich red-ox chemistry, and recently their candidacies as drug delivery vehicles etc. However, our understanding of this complex metalorganic molecule's efficient enzyme activated catalytic power is still controversial. We have for the first time calculated the electronic structure, Mulliken effective charge and bonding of a whole Vitamin B12 molecule without any structural simplification by first- principles approaches based on density functional theory using structures determined by high resolution X-ray diffraction. A partial density of states analysis shows excellent agreement with X-ray absorption data and has been used successfully to interpret measured optical absorption spectra. Mulliken bonding analysis of B12 and its derivatives reveal noticeable correlations between the two axial ligands which could be exploited by the enzyme to control the catalytic process. Our calculated X-ray near edge structure of B12 and its derivates using Slater's transition state theory are also in good agreement with experiments. The same approach has been applied to other B12 derivatives, ferrocene peptides, and recently DNA molecules.

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

PubMed

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

2015-08-07

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

Eating Behaviors of Older African Americans: An Application of the Theory of Planned Behavior

PubMed Central

O’Neal, Catherine Walker

2014-01-01

Purpose: The study applies the theory of planned behavior to explain the fruit and vegetable eating behaviors, a broad construct consisting of preparing, self-monitoring, and consuming fruits and vegetables, of older African Americans. Design and Methods: Structural equation modeling was used to examine the applicability of the theory of planned behavior with data from 211 older African American women and men (73% women, 26% men; median age range of 57–63 years) participating in a larger intervention study. Results: Attitudes about eating fruit and vegetables, subjective social norms, and perceived behavioral control were related to older African Americans’ intentions to consume fruits and vegetables. Social norms and behavioral intentions were associated with fruit and vegetable eating behaviors. Perceived control did not moderate the influence of behavioral intentions on actual behavior. Implications: Results indicated that the theory of planned behavior can be used to explain variation in older African Americans’ eating behavior. This study also emphasizes the value of considering broader behavioral domains when employing the theory of planned behavior rather than focusing on specific behaviors. Furthermore, social service programs aimed at reducing the incidence of diseases commonly associated with poor eating behaviors among older African Americans must consider promoting not only fruit and vegetable consumption but also related behaviors including preparing and self-monitoring by eliminating structural, cognitive, and normative constraints. PMID:23241919

Spatial dynamics of invasion: the geometry of introduced species.

PubMed

Korniss, Gyorgy; Caraco, Thomas

2005-03-07

Many exotic species combine low probability of establishment at each introduction with rapid population growth once introduction does succeed. To analyse this phenomenon, we note that invaders often cluster spatially when rare, and consequently an introduced exotic's population dynamics should depend on locally structured interactions. Ecological theory for spatially structured invasion relies on deterministic approximations, and determinism does not address the observed uncertainty of the exotic-introduction process. We take a new approach to the population dynamics of invasion and, by extension, to the general question of invasibility in any spatial ecology. We apply the physical theory for nucleation of spatial systems to a lattice-based model of competition between plant species, a resident and an invader, and the analysis reaches conclusions that differ qualitatively from the standard ecological theories. Nucleation theory distinguishes between dynamics of single- and multi-cluster invasion. Low introduction rates and small system size produce single-cluster dynamics, where success or failure of introduction is inherently stochastic. Single-cluster invasion occurs only if the cluster reaches a critical size, typically preceded by a number of failed attempts. For this case, we identify the functional form of the probability distribution of time elapsing until invasion succeeds. Although multi-cluster invasion for sufficiently large systems exhibits spatial averaging and almost-deterministic dynamics of the global densities, an analytical approximation from nucleation theory, known as Avrami's law, describes our simulation results far better than standard ecological approximations.

Analytical structure, dynamics, and coarse graining of a kinetic model of an active fluid

NASA Astrophysics Data System (ADS)

Gao, Tong; Betterton, Meredith D.; Jhang, An-Sheng; Shelley, Michael J.

2017-09-01

We analyze one of the simplest active suspensions with complex dynamics: a suspension of immotile "extensor" particles that exert active extensile dipolar stresses on the fluid in which they are immersed. This is relevant to several experimental systems, such as recently studied tripartite rods that create extensile flows by consuming a chemical fuel. We first describe the system through a Doi-Onsager kinetic theory based on microscopic modeling. This theory captures the active stresses produced by the particles that can drive hydrodynamic instabilities, as well as the steric interactions of rodlike particles that lead to nematic alignment. This active nematic system yields complex flows and disclination defect dynamics very similar to phenomenological Landau-deGennes Q -tensor theories for active nematic fluids, as well as by more complex Doi-Onsager theories for polar microtubule-motor-protein systems. We apply the quasiequilibrium Bingham closure, used to study suspensions of passive microscopic rods, to develop a nonstandard Q -tensor theory. We demonstrate through simulation that this B Q -tensor theory gives an excellent analytical and statistical accounting of the suspension's complex dynamics, at a far reduced computational cost. Finally, we apply the B Q -tensor model to study the dynamics of extensor suspensions in circular and biconcave domains. In circular domains, we reproduce previous results for systems with weak nematic alignment, but for strong alignment we find unusual dynamics with activity-controlled defect production and absorption at the boundaries of the domain. In biconcave domains, a Fredericks-like transition occurs as the width of the neck connecting the two disks is varied.

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

Hudgins, L.H.

After a brief review of the elementary properties of Fourier Transforms, the Wavelet Transform is defined in Part I. Basic results are given for admissable wavelets. The Multiresolution Analysis, or MRA (a mathematical structure which unifies a large class of wavelets with Quadrature Mirror Filters) is then introduced. Some fundamental aspects of wavelet design are then explored. The Discrete Wavelet Transform is discussed and, in the context of an MRA, is seen to supply a Fast Wavelet Transform which competes with the Fast Fourier Transform for efficiency. In Part II, the Wavelet Transform is developed in terms of the scalemore » number variable s instead of the scale length variable a where a = 1/s. Basic results such as the admissibility condition, conservation of energy, and the reconstruction theorem are proven in this context. After reviewing some motivation for the usual Fourier power spectrum, a definition is given for the wavelet power spectrum. This `spectral density` is then intepreted in the context of spectral estimation theory. Parseval`s theorem for Wavelets then leads naturally to the Wavelet Cross Spectrum, Wavelet Cospectrum, and Wavelet Quadrature Spectrum. Wavelet Transforms are then applied in Part III to the analysis of atmospheric turbulence. Data collected over the ocean is examined in the wavelet transform domain for underlying structure. A brief overview of atmospheric turbulence is provided. Then the overall method of applying Wavelet Transform techniques to time series data is described. A trace study is included, showing some of the aspects of choosing the computational algorithm, and selection of a specific analyzing wavelet. A model for generating synthetic turbulence data is developed, and seen to yield useful results in comparing with real data for structural transitions. Results from the theory of Wavelet Spectral Estimation and Wavelength Cross-Transforms are applied to studying the momentum transport and the heat flux.« less

Applied cartographic communication: map symbolization for atlases.

USGS Publications Warehouse

Morrison, J.L.

1984-01-01

A detailed investigation of the symbolization used on general-purpose atlas reference maps. It indicates how theories of cartographic communication can be put into practice. Two major points emerge. First, that a logical scheme can be constructed from existing cartographic research and applied to an analysis of the choice of symbolization on a map. Second, the same structure appears to allow the cartographer to specify symbolization as a part of map design. An introductory review of cartographic communication is followed by an analysis of selected maps' usage of point, area and line symbols, boundaries, text and colour usage.-after Author

The Enumeration Structure of 爾雅 Ěryǎ's "Semantic Lists"

NASA Astrophysics Data System (ADS)

Teboul (戴明德), Michel

Modern linguistic enumeration theory is applied to a study of 爾雅 Ěryǎ's Semantic Lists, leading to an in-depth analysis of the work's first three sections without any recourse to the traditional methods of Chinese classical philology. It is hoped that an extension of the same method can lead to a better understanding of the remaining 16 sections.

The Use of the Direct Optimized Probabilistic Calculation Method in Design of Bolt Reinforcement for Underground and Mining Workings

PubMed Central

Krejsa, Martin; Janas, Petr; Yilmaz, Işık; Marschalko, Marian; Bouchal, Tomas

2013-01-01

The load-carrying system of each construction should fulfill several conditions which represent reliable criteria in the assessment procedure. It is the theory of structural reliability which determines probability of keeping required properties of constructions. Using this theory, it is possible to apply probabilistic computations based on the probability theory and mathematic statistics. Development of those methods has become more and more popular; it is used, in particular, in designs of load-carrying structures with the required level or reliability when at least some input variables in the design are random. The objective of this paper is to indicate the current scope which might be covered by the new method—Direct Optimized Probabilistic Calculation (DOProC) in assessments of reliability of load-carrying structures. DOProC uses a purely numerical approach without any simulation techniques. This provides more accurate solutions to probabilistic tasks, and, in some cases, such approach results in considerably faster completion of computations. DOProC can be used to solve efficiently a number of probabilistic computations. A very good sphere of application for DOProC is the assessment of the bolt reinforcement in the underground and mining workings. For the purposes above, a special software application—“Anchor”—has been developed. PMID:23935412

Morphing Continuum Theory: A First Order Approximation to the Balance Laws

NASA Astrophysics Data System (ADS)

Wonnell, Louis; Cheikh, Mohamad Ibrahim; Chen, James

2017-11-01

Morphing Continuum Theory is constructed under the framework of Rational Continuum Mechanics (RCM) for fluid flows with inner structure. This multiscale theory has been successfully emplyed to model turbulent flows. The framework of RCM ensures the mathematical rigor of MCT, but contains new material constants related to the inner structure. The physical meanings of these material constants have yet to be determined. Here, a linear deviation from the zeroth-order Boltzmann-Curtiss distribution function is derived. When applied to the Boltzmann-Curtiss equation, a first-order approximation of the MCT governing equations is obtained. The integral equations are then related to the appropriate material constants found in the heat flux, Cauchy stress, and moment stress terms in the governing equations. These new material properties associated with the inner structure of the fluid are compared with the corresponding integrals, and a clearer physical interpretation of these coefficients emerges. The physical meanings of these material properties is determined by analyzing previous results obtained from numerical simulations of MCT for compressible and incompressible flows. The implications for the physics underlying the MCT governing equations will also be discussed. This material is based upon work supported by the Air Force Office of Scientific Research under Award Number FA9550-17-1-0154.

Optimal Tikhonov Regularization in Finite-Frequency Tomography

NASA Astrophysics Data System (ADS)

Fang, Y.; Yao, Z.; Zhou, Y.

2017-12-01

The last decade has witnessed a progressive transition in seismic tomography from ray theory to finite-frequency theory which overcomes the resolution limit of the high-frequency approximation in ray theory. In addition to approximations in wave propagation physics, a main difference between ray-theoretical tomography and finite-frequency tomography is the sparseness of the associated sensitivity matrix. It is well known that seismic tomographic problems are ill-posed and regularizations such as damping and smoothing are often applied to analyze the tradeoff between data misfit and model uncertainty. The regularizations depend on the structure of the matrix as well as noise level of the data. Cross-validation has been used to constrain data uncertainties in body-wave finite-frequency inversions when measurements at multiple frequencies are available to invert for a common structure. In this study, we explore an optimal Tikhonov regularization in surface-wave phase-velocity tomography based on minimization of an empirical Bayes risk function using theoretical training datasets. We exploit the structure of the sensitivity matrix in the framework of singular value decomposition (SVD) which also allows for the calculation of complete resolution matrix. We compare the optimal Tikhonov regularization in finite-frequency tomography with traditional tradeo-off analysis using surface wave dispersion measurements from global as well as regional studies.

Structure of electric double layers in capacitive systems and to what extent (classical) density functional theory describes it

NASA Astrophysics Data System (ADS)

Härtel, Andreas

2017-10-01

Ongoing scientific interest is aimed at the properties and structure of electric double layers (EDLs), which are crucial for capacitive energy storage, water treatment, and energy harvesting technologies like supercapacitors, desalination devices, blue engines, and thermocapacitive heat-to-current converters. A promising tool to describe their physics on a microscopic level is (classical) density functional theory (DFT), which can be applied in order to analyze pair correlations and charge ordering in the primitive model of charged hard spheres. This simple model captures the main properties of ionic liquids and solutions and it predicts many of the phenomena that occur in EDLs. The latter often lead to anomalous response in the differential capacitance of EDLs. This work constructively reviews the powerful theoretical framework of DFT and its recent developments regarding the description of EDLs. It explains to what extent current approaches in DFT describe structural ordering and in-plane transitions in EDLs, which occur when the corresponding electrodes are charged. Further, the review briefly summarizes the history of modeling EDLs, presents applications, and points out limitations and strengths in present theoretical approaches. It concludes that DFT as a sophisticated microscopic theory for ionic systems is expecting a challenging but promising future in both fundamental research and applications in supercapacitive technologies.

Generalized interferometry - I: theory for interstation correlations

NASA Astrophysics Data System (ADS)

Fichtner, Andreas; Stehly, Laurent; Ermert, Laura; Boehm, Christian

2017-02-01

We develop a general theory for interferometry by correlation that (i) properly accounts for heterogeneously distributed sources of continuous or transient nature, (ii) fully incorporates any type of linear and nonlinear processing, such as one-bit normalization, spectral whitening and phase-weighted stacking, (iii) operates for any type of medium, including 3-D elastic, heterogeneous and attenuating media, (iv) enables the exploitation of complete correlation waveforms, including seemingly unphysical arrivals, and (v) unifies the earthquake-based two-station method and ambient noise correlations. Our central theme is not to equate interferometry with Green function retrieval, and to extract information directly from processed interstation correlations, regardless of their relation to the Green function. We demonstrate that processing transforms the actual wavefield sources and actual wave propagation physics into effective sources and effective wave propagation. This transformation is uniquely determined by the processing applied to the observed data, and can be easily computed. The effective forward model, that links effective sources and propagation to synthetic interstation correlations, may not be perfect. A forward modelling error, induced by processing, describes the extent to which processed correlations can actually be interpreted as proper correlations, that is, as resulting from some effective source and some effective wave propagation. The magnitude of the forward modelling error is controlled by the processing scheme and the temporal variability of the sources. Applying adjoint techniques to the effective forward model, we derive finite-frequency Fréchet kernels for the sources of the wavefield and Earth structure, that should be inverted jointly. The structure kernels depend on the sources of the wavefield and the processing scheme applied to the raw data. Therefore, both must be taken into account correctly in order to make accurate inferences on Earth structure. Not making any restrictive assumptions on the nature of the wavefield sources, our theory can be applied to earthquake and ambient noise data, either separately or combined. This allows us (i) to locate earthquakes using interstation correlations and without knowledge of the origin time, (ii) to unify the earthquake-based two-station method and noise correlations without the need to exclude either of the two data types, and (iii) to eliminate the requirement to remove earthquake signals from noise recordings prior to the computation of correlation functions. In addition to the basic theory for acoustic wavefields, we present numerical examples for 2-D media, an extension to the most general viscoelastic case, and a method for the design of optimal processing schemes that eliminate the forward modelling error completely. This work is intended to provide a comprehensive theoretical foundation of full-waveform interferometry by correlation, and to suggest improvements to current passive monitoring methods.

Density Functional Theory Investigations of D-A-D' Structural Molecules as Donor Materials in Organic Solar Cell.

PubMed

Chen, Junxian; Liu, Qingyu; Li, Hao; Zhao, Zhigang; Lu, Zhiyun; Huang, Yan; Xu, Dingguo

2018-01-01

Squaraine core based small molecules in bulk heterojunction organic solar cells have received extensive attentions due to their distinguished photochemical properties in far red and infrared domain. In this paper, combining theoretical simulations and experimental syntheses and characterizations, three major factors (fill factor, short circuit and open-cirvuit voltage) have been carried out together to achieve improvement of power conversion efficiencies of solar cells. As model material systems with D-A-D' framework, two asymmetric squaraines (CNSQ and CCSQ-Tol) as donor materials in bulk heterojunction organic solar cell were synthesized and characterized. Intensive density functional theory computations were applied to identify some direct connections between three factors and corresponding molecular structural properties. It then helps us to predict one new molecule of CCSQ'-Ox that matches all the requirements to improve the power conversion efficiency.

Very large scale wavefunction orthogonalization in Density Functional Theory electronic structure calculations

NASA Astrophysics Data System (ADS)

Bekas, C.; Curioni, A.

2010-06-01

Enforcing the orthogonality of approximate wavefunctions becomes one of the dominant computational kernels in planewave based Density Functional Theory electronic structure calculations that involve thousands of atoms. In this context, algorithms that enjoy both excellent scalability and single processor performance properties are much needed. In this paper we present block versions of the Gram-Schmidt method and we show that they are excellent candidates for our purposes. We compare the new approach with the state of the art practice in planewave based calculations and find that it has much to offer, especially when applied on massively parallel supercomputers such as the IBM Blue Gene/P Supercomputer. The new method achieves excellent sustained performance that surpasses 73 TFLOPS (67% of peak) on 8 Blue Gene/P racks (32 768 compute cores), while it enables more than a two fold decrease in run time when compared with the best competing methodology.

Modeling molecule-plasmon interactions using quantized radiation fields within time-dependent electronic structure theory

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

Nascimento, Daniel R.; DePrince, A. Eugene, E-mail: deprince@chem.fsu.edu

2015-12-07

We present a combined cavity quantum electrodynamics/ab initio electronic structure approach for simulating plasmon-molecule interactions in the time domain. The simple Jaynes-Cummings-type model Hamiltonian typically utilized in such simulations is replaced with one in which the molecular component of the coupled system is treated in a fully ab initio way, resulting in a computationally efficient description of general plasmon-molecule interactions. Mutual polarization effects are easily incorporated within a standard ground-state Hartree-Fock computation, and time-dependent simulations carry the same formal computational scaling as real-time time-dependent Hartree-Fock theory. As a proof of principle, we apply this generalized method to the emergence ofmore » a Fano-like resonance in coupled molecule-plasmon systems; this feature is quite sensitive to the nanoparticle-molecule separation and the orientation of the molecule relative to the polarization of the external electric field.« less

Computational Cosmology: From the Early Universe to the Large Scale Structure.

PubMed

Anninos, Peter

2001-01-01

In order to account for the observable Universe, any comprehensive theory or model of cosmology must draw from many disciplines of physics, including gauge theories of strong and weak interactions, the hydrodynamics and microphysics of baryonic matter, electromagnetic fields, and spacetime curvature, for example. Although it is difficult to incorporate all these physical elements into a single complete model of our Universe, advances in computing methods and technologies have contributed significantly towards our understanding of cosmological models, the Universe, and astrophysical processes within them. A sample of numerical calculations (and numerical methods applied to specific issues in cosmology are reviewed in this article: from the Big Bang singularity dynamics to the fundamental interactions of gravitational waves; from the quark-hadron phase transition to the large scale structure of the Universe. The emphasis, although not exclusively, is on those calculations designed to test different models of cosmology against the observed Universe.

Compensatory recruitment of neural resources in chronic alcoholism.

PubMed

Chanraud, Sandra; Sullivan, Edith V

2014-01-01

Functional recovery occurs with sustained sobriety, but the neural mechanisms enabling recovery are only now emerging. Theories about promising mechanisms involve concepts of neuroadaptation, where excessive alcohol consumption results in untoward structural and functional brain changes which are subsequently candidates for reversal with sobriety. Views on functional adaptation in chronic alcoholism have expanded with results from neuroimaging studies. Here, we first describe and define the concept of neuroadaptation according to emerging theories based on the growing literature in aging-related cognitive functioning. Then we describe findings as they apply to chronic alcoholism and factors that could influence compensation, such as functional brain reserve and the integrity of brain structure. Finally, we review brain plasticity based on physiologic mechanisms that could underlie mechanisms of neural compensation. Where possible, we provide operational criteria to define functional and neural compensation. © 2014 Elsevier B.V. All rights reserved.

The structure of untwisted magnetic flux tubes. [solar magnetic field distribution

NASA Technical Reports Server (NTRS)

Browning, P. K.; Priest, E. R.

1982-01-01

While most previous investigations have concentrated on slender flux tubes, the present study of the equilibrium structure of an axisymmetric magnetic flux tube, confined by an external pressure that varies along the length of the tube, explores the properties of thick tubes in order to establish the degree to which slender tube theory is valid. It is found that slender flux tube results may in some cases give no indication of thick tube behavior in a nonuniform atmosphere. Depending on boundary conditions applied at the ends of the tube, it may expand or contract upon entering a region of increasing pressure. Rather than expanding indefinitely, the tube surface may form a cusped shape when a point of external pressure on the tube surface falls to equality with the internal pressure. Numerical solutions for an initially uniform tube give smaller expansions than would be expected from slender tube theory.

On the theory of nonadiabatic bridge-mediated electron transfer. Influence of structural and energetic disorder

NASA Astrophysics Data System (ADS)

Bade, L.; Petrov, E. G.; May, V.

2003-10-01

Effects of structural and energetic disorder on nonadiabatic electron transfer (ET) reactions are discussed theoretically. To account for the sequential as well as the superexchange mechanism of ET our recent approach is used presented in J. Phys. Chem. A 105, 10176 (2001). The overall charge motion is characterized by the numerical solution of rate equations for the electronic state populations and an averaging with respect to the disorder configurations. Introducing a single effective transfer rate which can be deduced from the experiment the dependence of this rate is discussed on the geometry of the ET system as well as on the disorder model. The theory is applied to donor acceptor complexes connected by oligomers of the amino acid proline. In particular, a pronounced dependence is found of the effective transfer rate on disorder with respect to the reorganization energy.

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

DOE PAGES

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

2016-11-01

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

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

DOE PAGES

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

2016-07-04

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

Positron-annihilation study of the electronic structure of URu2Si2

NASA Astrophysics Data System (ADS)

Rozing, G. J.; Mijnarends, P. E.; Menovsky, A. A.; de Chtel, P. F.

1991-04-01

Measurements of the two-dimensional angular correlation of annihilation radiation (2D-ACAR) were performed on oriented single crystals of URu2Si2. The spectra, obtained with integration along four different symmetry directions, display anisotropic structure in fair agreement with a previous calculation of the two-photon momentum distribution. In particular, the contribution of the f-ligand hybridized electron states is clearly observed and reasonably well described by the band calculation. The 2D-ACAR distribution remains unchanged as the temperature is increased from 6 K in the Fermi-liquid state to 72 K, which is just above the coherence temperature. The inhomogeneity of the positron density in the unit cell complicates the Lock-Crisp-West (LCW) analysis of the experiments in terms of Fermi-surface features. Nevertheless, the disagreement between theory and experiment after LCW folding indicates that the Fermi surface as predicted by local-density-approximation band theory does not apply.

On the use of distributed sensing in control of large flexible spacecraft

NASA Technical Reports Server (NTRS)

Montgomery, Raymond C.; Ghosh, Dave

1990-01-01

Distributed processing technology is being developed to process signals from distributed sensors using distributed computations. Thiw work presents a scheme for calculating the operators required to emulate a conventional Kalman filter and regulator using such a computer. The scheme makes use of conventional Kalman theory as applied to the control of large flexible structures. The required computation of the distributed operators given the conventional Kalman filter and regulator is explained. A straightforward application of this scheme may lead to nonsmooth operators whose convergence is not apparent. This is illustrated by application to the Mini-Mast, a large flexible truss at the Langley Research Center used for research in structural dynamics and control. Techniques for developing smooth operators are presented. These involve spatial filtering as well as adjusting the design constants in the Kalman theory. Results are presented that illustrate the degree of smoothness achieved.

Mechanics of fold-and-thrust belts and accretionary wedges Cohesive Coulomb theory

NASA Technical Reports Server (NTRS)

Dahlen, F. A.; Suppe, J.; Davis, D.

1984-01-01

A self-consistent theory for the mechanics of thin-skinned accretionary Coulomb wedges is developed and applied to the active fold-and-thrust belt of western Taiwan. The state of stress everywhere within a critical wedge is determined by solving the static equilibrium equations subject to the appropriate boundary conditions. The influence of wedge cohesion, which gives rise to a concave curvature of the critical topographic surface and affects the orientation of the principal stresses and Coulomb fracture within the wedge, is considered. The shape of the topographic surface and the angles at which thrust faults step up from the basal decollement in the Taiwanese belt is analyzed taking into account the extensive structural and fluid-pressure data available there. It is concluded that the gross geometry and structure of the Taiwan wedge are consistent with normal laboratory frictional and fracture strengths of sedimentary rocks.

Theory analysis for Pender's health promotion model (HPM) by Barnum's criteria: a critical perspective.

PubMed

Khoshnood, Zohreh; Rayyani, Masoud; Tirgari, Batool

2018-01-13

Background Analysis of nursing theoretical works and its role in knowledge development is presented as an essential process of critical reflection. Health promotion model (HPM) focuses on helping people achieve higher levels of well-being and identifies background factors that influence health behaviors. Objectives This paper aims to evaluate, and critique HPM by Barnum's criteria. Methods The present study reviewed books and articles derived from Proquest, PubMed, Blackwell Databases. The method of evaluation for this model is based on Barnum's criteria for analysis, application and evaluation of nursing theories. The criteria selected by Barnum embrace both internal and external criticism. Internal criticism deals with how theory components fit with each other (internal construction of theory) and external criticism deals with the way in which theory relates to the extended world (which considers theory in its relationships to human beings, nursing, and health). Results The electronic database search yielded over 27,717 titles and abstracts. Following removal of duplicates, 18,963 titles and abstracts were screened using the inclusion criteria and 1278 manuscripts were retrieved. Of these, 80 were specific to HPM and 23 to analysis of any theory in nursing relating to the aim of this article. After final selection using the inclusion criteria for this review, 28 manuscripts were identified as examining the factors contributing to theory analysis. Evaluation of health promotion theory showed that the philosophical claims and their content are consistent and clear. HPM has a logical structure and was applied to diverse age groups from differing cultures with varying health concerns. Conclusion In conclusion, among the strategies for theory critique, the Barnum approach is structured and accurate, considers theory in its relationship to human beings, community psychiatric nursing, and health. While according to Pender, nursing assessment, diagnosis and interventions are utilized to operationalize the HPM through practical application and research.

Piezoelectrically actuated flextensional micromachined ultrasound transducers--I: theory.

PubMed

Perçin, Gökhan; Khuri-Yakub, Butrus T

2002-05-01

This series of two papers considers piezoelectrically actuated flextensional micromachined ultrasound transducers (PAFMUTs) and consists of theory, fabrication, and experimental parts. The theory presented in this paper is developed for an ultrasound transducer application presented in the second part. In the absence of analytical expressions for the equivalent circuit parameters of a flextensional transducer, it is difficult to calculate its optimal parameters and dimensions and difficult to choose suitable materials. The influence of coupling between flexural and extensional deformation and that of coupling between the structure and the acoustic volume on the dynamic response of piezoelectrically actuated flextensional transducer are analyzed using two analytical methods: classical thin (Kirchhoff) plate theory and Mindlin plate theory. Classical thin plate theory and Mindlin plate theory are applied to derive two-dimensional plate equations for the transducer and to calculate the coupled electromechanical field variables such as mechanical displacement and electrical input impedance. In these methods, the variations across the thickness direction vanish by using the bending moments per unit length or stress resultants. Thus, two-dimensional plate equations for a step-wise laminated circular plate are obtained as well as two different solutions to the corresponding systems. An equivalent circuit of the transducer is also obtained from these solutions.

Ordering structured populations in multiplayer cooperation games

PubMed Central

Peña, Jorge; Wu, Bin; Traulsen, Arne

2016-01-01

Spatial structure greatly affects the evolution of cooperation. While in two-player games the condition for cooperation to evolve depends on a single structure coefficient, in multiplayer games the condition might depend on several structure coefficients, making it difficult to compare different population structures. We propose a solution to this issue by introducing two simple ways of ordering population structures: the containment order and the volume order. If population structure is greater than population structure in the containment or the volume order, then can be considered a stronger promoter of cooperation. We provide conditions for establishing the containment order, give general results on the volume order, and illustrate our theory by comparing different models of spatial games and associated update rules. Our results hold for a large class of population structures and can be easily applied to specific cases once the structure coefficients have been calculated or estimated. PMID:26819335

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

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

Gygi, Francois; Galli, Giulia; Schwegler, Eric

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

Supporting the use of theory in cross-country health services research: a participatory qualitative approach using Normalisation Process Theory as an example

PubMed Central

Mair, Frances S; Dowrick, Christopher; Brún, Mary O’Reilly-de; de Brún, Tomas; Burns, Nicola; Lionis, Christos; Saridaki, Aristoula; Papadakaki, Maria; van den Muijsenbergh, Maria; van Weel-Baumgarten, Evelyn; Gravenhorst, Katja; Cooper, Lucy; Princz, Christine; Teunissen, Erik; Mareeuw, Francine van den Driessen; Vlahadi, Maria; Spiegel, Wolfgang; MacFarlane, Anne

2017-01-01

Objectives To describe and reflect on the process of designing and delivering a training programme supporting the use of theory, in this case Normalisation Process Theory (NPT), in a multisite cross-country health services research study. Design Participatory research approach using qualitative methods. Setting Six European primary care settings involving research teams from Austria, England, Greece, Ireland, The Netherlands and Scotland. Participants RESTORE research team consisting of 8 project applicants, all senior primary care academics, and 10 researchers. Professional backgrounds included general practitioners/family doctors, social/cultural anthropologists, sociologists and health services/primary care researchers. Primary outcome measures Views of all research team members (n=18) were assessed using qualitative evaluation methods, analysed qualitatively by the trainers after each session. Results Most of the team had no experience of using NPT and many had not applied theory to prospective, qualitative research projects. Early training proved didactic and overloaded participants with information. Drawing on RESTORE’s methodological approach of Participatory Learning and Action, workshops using role play, experiential interactive exercises and light-hearted examples not directly related to the study subject matter were developed. Evaluation showed the study team quickly grew in knowledge and confidence in applying theory to fieldwork. Recommendations applicable to other studies include: accepting that theory application is not a linear process, that time is needed to address researcher concerns with the process, and that experiential, interactive learning is a key device in building conceptual and practical knowledge. An unanticipated benefit was the smooth transition to cross-country qualitative coding of study data. Conclusion A structured programme of training enhanced and supported the prospective application of a theory, NPT, to our work but raised challenges. These were not unique to NPT but could arise with the application of any theory, especially in large multisite, international projects. The lessons learnt are applicable to other theoretically informed studies. PMID:28827231

Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. II. Confined fluids and vapor-liquid interfaces

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

Ghobadi, Ahmadreza F.; Elliott, J. Richard, E-mail: elliot1@uakron.edu

2014-07-14

In this work, a new classical density functional theory is developed for group-contribution equations of state (EOS). Details of implementation are demonstrated for the recently-developed SAFT-γ WCA EOS and selective applications are studied for confined fluids and vapor-liquid interfaces. The acronym WCA (Weeks-Chandler-Andersen) refers to the characterization of the reference part of the third-order thermodynamic perturbation theory applied in formulating the EOS. SAFT-γ refers to the particular form of “statistical associating fluid theory” that is applied to the fused-sphere, heteronuclear, united-atom molecular models of interest. For the monomer term, the modified fundamental measure theory is extended to WCA-spheres. A newmore » chain functional is also introduced for fused and soft heteronuclear chains. The attractive interactions are taken into account by considering the structure of the fluid, thus elevating the theory beyond the mean field approximation. The fluctuations of energy are also included via a non-local third-order perturbation theory. The theory includes resolution of the density profiles of individual groups such as CH{sub 2} and CH{sub 3} and satisfies stoichiometric constraints for the density profiles. New molecular simulations are conducted to demonstrate the accuracy of each Helmholtz free energy contribution in reproducing the microstructure of inhomogeneous systems at the united-atom level of coarse graining. At each stage, comparisons are made to assess where the present theory stands relative to the current state of the art for studying inhomogeneous fluids. Overall, it is shown that the characteristic features of real molecular fluids are captured both qualitatively and quantitatively. For example, the average pore density deviates ∼2% from simulation data for attractive pentadecane in a 2-nm slit pore. Another example is the surface tension of ethane/heptane mixture, which deviates ∼1% from simulation data while the theory reproduces the excess accumulation of ethane at the interface.« less

Tip-induced domain structures and polarization switching in ferroelectric amino acid glycine

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

Seyedhosseini, E., E-mail: Seyedhosseini@ua.pt; Ivanov, M.; Bdikin, I.

2015-08-21

Bioorganic ferroelectrics and piezoelectrics are becoming increasingly important in view of their intrinsic compatibility with biological environment and biofunctionality combined with strong piezoelectric effect and a switchable polarization at room temperature. Here, we study tip-induced domain structures and polarization switching in the smallest amino acid β-glycine, representing a broad class of non-centrosymmetric amino acids. We show that β-glycine is indeed a room-temperature ferroelectric and polarization can be switched by applying a bias to non-polar cuts via a conducting tip of atomic force microscope (AFM). Dynamics of these in-plane domains is studied as a function of an applied voltage and pulsemore » duration. The domain shape is dictated by polarization screening at the domain boundaries and mediated by growth defects. Thermodynamic theory is applied to explain the domain propagation induced by the AFM tip. Our findings suggest that the properties of β-glycine are controlled by the charged domain walls which in turn can be manipulated by an external bias.« less

Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy

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

Iwasa, Takeshi, E-mail: tiwasa@mail.sci.hokudai.ac.jp; Takenaka, Masato; Taketsugu, Tetsuya

A theoretical method to compute infrared absorption spectra when a molecule is interacting with an arbitrary nonuniform electric field such as near-fields is developed and numerically applied to simple model systems. The method is based on the multipolar Hamiltonian where the light-matter interaction is described by a spatial integral of the inner product of the molecular polarization and applied electric field. The computation scheme is developed under the harmonic approximation for the molecular vibrations and the framework of modern electronic structure calculations such as the density functional theory. Infrared reflection absorption and near-field infrared absorption are considered as model systems.more » The obtained IR spectra successfully reflect the spatial structure of the applied electric field and corresponding vibrational modes, demonstrating applicability of the present method to analyze modern nanovibrational spectroscopy using near-fields. The present method can use arbitral electric fields and thus can integrate two fields such as computational chemistry and electromagnetics.« less

Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy.

PubMed

Iwasa, Takeshi; Takenaka, Masato; Taketsugu, Tetsuya

2016-03-28

A theoretical method to compute infrared absorption spectra when a molecule is interacting with an arbitrary nonuniform electric field such as near-fields is developed and numerically applied to simple model systems. The method is based on the multipolar Hamiltonian where the light-matter interaction is described by a spatial integral of the inner product of the molecular polarization and applied electric field. The computation scheme is developed under the harmonic approximation for the molecular vibrations and the framework of modern electronic structure calculations such as the density functional theory. Infrared reflection absorption and near-field infrared absorption are considered as model systems. The obtained IR spectra successfully reflect the spatial structure of the applied electric field and corresponding vibrational modes, demonstrating applicability of the present method to analyze modern nanovibrational spectroscopy using near-fields. The present method can use arbitral electric fields and thus can integrate two fields such as computational chemistry and electromagnetics.

Prediction of tautomer ratios by embedded-cluster integral equation theory

NASA Astrophysics Data System (ADS)

Kast, Stefan M.; Heil, Jochen; Güssregen, Stefan; Schmidt, K. Friedemann

2010-04-01

The "embedded cluster reference interaction site model" (EC-RISM) approach combines statistical-mechanical integral equation theory and quantum-chemical calculations for predicting thermodynamic data for chemical reactions in solution. The electronic structure of the solute is determined self-consistently with the structure of the solvent that is described by 3D RISM integral equation theory. The continuous solvent-site distribution is mapped onto a set of discrete background charges ("embedded cluster") that represent an additional contribution to the molecular Hamiltonian. The EC-RISM analysis of the SAMPL2 challenge set of tautomers proceeds in three stages. Firstly, the group of compounds for which quantitative experimental free energy data was provided was taken to determine appropriate levels of quantum-chemical theory for geometry optimization and free energy prediction. Secondly, the resulting workflow was applied to the full set, allowing for chemical interpretations of the results. Thirdly, disclosure of experimental data for parts of the compounds facilitated a detailed analysis of methodical issues and suggestions for future improvements of the model. Without specifically adjusting parameters, the EC-RISM model yields the smallest value of the root mean square error for the first set (0.6 kcal mol-1) as well as for the full set of quantitative reaction data (2.0 kcal mol-1) among the SAMPL2 participants.

Finding the Right Fit: Helping Students Apply Theory to Service-Learning Contexts

ERIC Educational Resources Information Center

Ricke, Audrey

2018-01-01

Background: Although past studies of service-learning focus on assessing student growth, few studies address how to support students in applying theory to their service-learning experiences. Yet, the task of applying theory is a central component of critical reflections within the social sciences in higher education and often causes anxiety among…

Design of controlled elastic and inelastic structures

NASA Astrophysics Data System (ADS)

Reinhorn, A. M.; Lavan, O.; Cimellaro, G. P.

2009-12-01

One of the founders of structural control theory and its application in civil engineering, Professor Emeritus Tsu T. Soong, envisioned the development of the integral design of structures protected by active control devices. Most of his disciples and colleagues continuously attempted to develop procedures to achieve such integral control. In his recent papers published jointly with some of the authors of this paper, Professor Soong developed design procedures for the entire structure using a design — redesign procedure applied to elastic systems. Such a procedure was developed as an extension of other work by his disciples. This paper summarizes some recent techniques that use traditional active control algorithms to derive the most suitable (optimal, stable) control force, which could then be implemented with a combination of active, passive and semi-active devices through a simple match or more sophisticated optimal procedures. Alternative design can address the behavior of structures using Liapunov stability criteria. This paper shows a unified procedure which can be applied to both elastic and inelastic structures. Although the implementation does not always preserve the optimal criteria, it is shown that the solutions are effective and practical for design of supplemental damping, stiffness enhancement or softening, and strengthening or weakening.

Exact Thermal Transport Properties of Gray-Arsenic using Electon-Phonon Coupling

NASA Astrophysics Data System (ADS)

Kang, Seoung-Hun; Kwon, Young-Kyun

Using various theoretical methods, we investigate the thermoelectric property of gray arsenic. Thermoelectric devices that utilize the Seebeck effect convert heat flow into electrical energy. The conversion efficiency of such a device is determined by its figure of merit or ZT value, which is related to various transport coefficients, such as Seebeck coefficient and the ratio of its electrical conductivity to its thermal counterpart for given temperature. To calculate various transport coefficients and thus the ZT values of gray arsenic, we apply the Boltzmann transport theory to its electronic and phononic structures obtained by density functional theory and density functional perturbation theory together with maximally locallized Wannier functions. During this procedure, we evaluate its relaxation time accurately by explicitly considering electron-phonon coupling. Our result reveals that gray arsenic may be used for a good p-type thermoelectric devices.

Vaccination learning experiences of nursing students: a grounded theory study.

PubMed

Ildarabadi, Eshagh; Karimi Moonaghi, Hossein; Heydari, Abbas; Taghipour, Ali; Abdollahimohammad, Abdolghani

2015-01-01

This study aimed to explore the experiences of nursing students being trained to perform vaccinations. The grounded theory method was applied to gather information through semi-structured interviews. The participants included 14 undergraduate nursing students in their fifth and eighth semesters of study in a nursing school in Iran. The information was analyzed according to Strauss and Corbin's method of grounded theory. A core category of experiential learning was identified, and the following eight subcategories were extracted: students' enthusiasm, vaccination sensitivity, stress, proper educational environment, absence of prerequisites, students' responsibility for learning, providing services, and learning outcomes. The vaccination training of nursing students was found to be in an acceptable state. However, some barriers to effective learning were identified. As such, the results of this study may provide empirical support for attempts to reform vaccination education by removing these barriers.

Dynamic response of porous functionally graded material nanobeams subjected to moving nanoparticle based on nonlocal strain gradient theory

NASA Astrophysics Data System (ADS)

Barati, Mohammad Reza

2017-11-01

Up to now, nonlocal strain gradient theory (NSGT) is broadly applied to examine free vibration, static bending and buckling of nanobeams. This theory captures nonlocal stress field effects together with the microstructure-dependent strain gradient effects. In this study, forced vibrations of NSGT nanobeams on elastic substrate subjected to moving loads are examined. The nanobeam is made of functionally graded material (FGM) with even and uneven porosity distributions inside the material structure. The graded material properties with porosities are described by a modified power-law model. Dynamic deflection of the nanobeam is obtained via Galerkin and inverse Laplace transform methods. The importance of nonlocal parameter, strain gradient parameter, moving load velocity, porosity volume fraction, type of porosity distribution and elastic foundation on forced vibration behavior of nanobeams are discussed.

Wavelength shifts of cladding-mode resonance in corrugated long-period fiber gratings under torsion.

PubMed

Ivanov, Oleg V; Wang, Lon A

2003-05-01

A finite deformation theory of elasticity and a theory of nonlinear photoelasticity are applied to describe the wavelength shifts of cladding-mode resonance in corrugated long-period fiber gratings under torsion. The deformation of fiber is found by use of the Murnaghan model of a solid elastic body. The quadratic photoelastic effect that is proportional to the second-order displacement gradient is investigated and compared with the classical photoelastic effect. The electromagnetic field in the twisted corrugated structure is presented as a superposition of circularly polarized modes of the etched fiber section. The wavelength shift is found to be proportional to the square of the twist angle. As predicted by our theory, a wavelength shift of the same nature has been found in a conventionally photoinduced long-period fiber grating.

Static assignment of complex stochastic tasks using stochastic majorization

NASA Technical Reports Server (NTRS)

Nicol, David; Simha, Rahul; Towsley, Don

1992-01-01

We consider the problem of statically assigning many tasks to a (smaller) system of homogeneous processors, where a task's structure is modeled as a branching process, and all tasks are assumed to have identical behavior. We show how the theory of majorization can be used to obtain a partial order among possible task assignments. Our results show that if the vector of numbers of tasks assigned to each processor under one mapping is majorized by that of another mapping, then the former mapping is better than the latter with respect to a large number of objective functions. In particular, we show how measurements of finishing time, resource utilization, and reliability are all captured by the theory. We also show how the theory may be applied to the problem of partitioning a pool of processors for distribution among parallelizable tasks.

Detection of network attacks based on adaptive resonance theory

NASA Astrophysics Data System (ADS)

Bukhanov, D. G.; Polyakov, V. M.

2018-05-01

The paper considers an approach to intrusion detection systems using a neural network of adaptive resonant theory. It suggests the structure of an intrusion detection system consisting of two types of program modules. The first module manages connections of user applications by preventing the undesirable ones. The second analyzes the incoming network traffic parameters to check potential network attacks. After attack detection, it notifies the required stations using a secure transmission channel. The paper describes the experiment on the detection and recognition of network attacks using the test selection. It also compares the obtained results with similar experiments carried out by other authors. It gives findings and conclusions on the sufficiency of the proposed approach. The obtained information confirms the sufficiency of applying the neural networks of adaptive resonant theory to analyze network traffic within the intrusion detection system.

Clipping the cosmos: the bias and bispectrum of large scale structure.

PubMed

Simpson, Fergus; James, J Berian; Heavens, Alan F; Heymans, Catherine

2011-12-30

A large fraction of the information collected by cosmological surveys is simply discarded to avoid length scales which are difficult to model theoretically. We introduce a new technique which enables the extraction of useful information from the bispectrum of galaxies well beyond the conventional limits of perturbation theory. Our results strongly suggest that this method increases the range of scales where the relation between the bispectrum and power spectrum in tree-level perturbation theory may be applied, from k(max) ∼ 0.1 to ∼0.7 hMpc(-1). This leads to correspondingly large improvements in the determination of galaxy bias. Since the clipped matter power spectrum closely follows the linear power spectrum, there is the potential to use this technique to probe the growth rate of linear perturbations and confront theories of modified gravity with observation.

Fair lineups are better than biased lineups and showups, but not because they increase underlying discriminability.

PubMed

Smith, Andrew M; Wells, Gary L; Lindsay, R C L; Penrod, Steven D

2017-04-01

Receiver Operating Characteristic (ROC) analysis has recently come in vogue for assessing the underlying discriminability and the applied utility of lineup procedures. Two primary assumptions underlie recommendations that ROC analysis be used to assess the applied utility of lineup procedures: (a) ROC analysis of lineups measures underlying discriminability, and (b) the procedure that produces superior underlying discriminability produces superior applied utility. These same assumptions underlie a recently derived diagnostic-feature detection theory, a theory of discriminability, intended to explain recent patterns observed in ROC comparisons of lineups. We demonstrate, however, that these assumptions are incorrect when ROC analysis is applied to lineups. We also demonstrate that a structural phenomenon of lineups, differential filler siphoning, and not the psychological phenomenon of diagnostic-feature detection, explains why lineups are superior to showups and why fair lineups are superior to biased lineups. In the process of our proofs, we show that computational simulations have assumed, unrealistically, that all witnesses share exactly the same decision criteria. When criterial variance is included in computational models, differential filler siphoning emerges. The result proves dissociation between ROC curves and underlying discriminability: Higher ROC curves for lineups than for showups and for fair than for biased lineups despite no increase in underlying discriminability. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Electrical tuning of spin splitting in Bi-doped ZnO nanowires

NASA Astrophysics Data System (ADS)

Aras, Mehmet; Kılıç, ćetin

2018-01-01

The effect of applying an external electric field on doping-induced spin-orbit splitting of the lowest conduction-band states in a bismuth-doped zinc oxide nanowire is studied by performing electronic structure calculations within the framework of density functional theory. It is demonstrated that spin splitting in Bi-doped ZnO nanowires could be tuned and enhanced electrically via control of the strength and direction of the applied electric field, thanks to the nonuniform and anisotropic response of the ZnO:Bi nanowire to external electric fields. The results reported here indicate that a single ZnO nanowire doped with a low concentration of Bi could function as a spintronic device, the operation of which is controlled by applied lateral electric fields.

HOTCFGM-2D: A Coupled Higher-Order Theory for Cylindrical Structural Components with Bi-Directionally Components with Bi-Directionally Graded Microstructures

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Aboudi, Jacob

2000-01-01

The objective of this two-year project was to develop and deliver to the NASA-Glenn Research Center a two-dimensional higher-order theory, and related computer codes, for the analysis and design of cylindrical functionally graded materials/structural components for use in advanced aircraft engines (e.g., combustor linings, rotor disks, heat shields, brisk blades). To satisfy this objective, two-dimensional version of the higher-order theory, HOTCFGM-2D, and four computer codes based on this theory, for the analysis and design of structural components functionally graded in the radial and circumferential directions were developed in the cylindrical coordinate system r-Theta-z. This version of the higher-order theory is a significant generalization of the one-dimensional theory, HOTCFGM-1D, developed during the FY97 for the analysis and design of cylindrical structural components with radially graded microstructures. The generalized theory is applicable to thin multi-phased composite shells/cylinders subjected to steady-state thermomechanical, transient thermal and inertial loading applied uniformly along the axial direction such that the overall deformation is characterized by a constant average axial strain. The reinforcement phases are uniformly distributed in the axial direction, and arbitrarily distributed in the radial and circumferential direction, thereby allowing functional grading of the internal reinforcement in the r-Theta plane. The four computer codes fgmc3dq.cylindrical.f, fgmp3dq.cylindrical.f, fgmgvips3dq.cylindrical.f, and fgmc3dq.cylindrical.transient.f are research-oriented codes for investigating the effect of functionally graded architectures, as well as the properties of the multi-phase reinforcement, in thin shells subjected to thermomechanical and inertial loading, on the internal temperature, stress and (inelastic) strain fields. The reinforcement distribution in the radial and circumferential directions is specified by the user. The thermal and inelastic properties of the individual phases can vary with temperature. The inelastic phases are presently modeled by the power-law creep model generalized to multi-directional loading (within fgmc3dq.cylindrical.f and fgmc3dq.cylindrical.transient.f for steady-state and transient thermal loading, respectively), and incremental plasticity and GVIPS unified viscoplasticity theories (within the steady-state loading versions fgmp3dq.cylindrical.f and fgmgvips3dq.cylindrical.f).

Using block pulse functions for seismic vibration semi-active control of structures with MR dampers

NASA Astrophysics Data System (ADS)

Rahimi Gendeshmin, Saeed; Davarnia, Daniel

2018-03-01

This article applied the idea of block pulse functions in the semi-active control of structures. The BP functions give effective tools to approximate complex problems. The applied control algorithm has a major effect on the performance of the controlled system and the requirements of the control devices. In control problems, it is important to devise an accurate analytical technique with less computational cost. It is proved that the BP functions are fundamental tools in approximation problems which have been applied in disparate areas in last decades. This study focuses on the employment of BP functions in control algorithm concerning reduction the computational cost. Magneto-rheological (MR) dampers are one of the well-known semi-active tools that can be used to control the response of civil Structures during earthquake. For validation purposes, numerical simulations of a 5-story shear building frame with MR dampers are presented. The results of suggested method were compared with results obtained by controlling the frame by the optimal control method based on linear quadratic regulator theory. It can be seen from simulation results that the suggested method can be helpful in reducing seismic structural responses. Besides, this method has acceptable accuracy and is in agreement with optimal control method with less computational costs.

Composite theory applied to elastomers

NASA Technical Reports Server (NTRS)

Clark, S. K.

1986-01-01

Reinforced elastomers form the basis for most of the structural or load carrying applications of rubber products. Computer based structural analysis in the form of finite element codes was highly successful in refining structural design in both isotropic materials and rigid composites. This has lead the rubber industry to attempt to make use of such techniques in the design of structural cord-rubber composites. While such efforts appear promising, they were not easy to achieve for several reasons. Among these is a distinct lack of a clearly defined set of material property descriptors suitable for computer analysis. There are substantial differences between conventional steel, aluminum, or even rigid composites such as graphite-epoxy, and textile-cord reinforced rubber. These differences which are both conceptual and practical are discussed.

Outcomes of newly practicing nurses who applied principles of holistic comfort theory during the transition from school to practice: a qualitative study.

PubMed

Goodwin, Miki; Candela, Lori

2013-06-01

The aim of this qualitative study was to explore if newly practicing nurses benefited from learning holistic comfort theory during their baccalaureate education, and to provide a conceptual framework to support the transition from school to practice. The study was conducted among graduates of an accelerated baccalaureate nursing program where holistic comfort theory was embedded as a learner-centered philosophy across the curriculum. A phenomenological process using van Manen's qualitative methodology in education involving semi-structured interviews and thematic analysis was used. The nurses recalled what holistic comfort meant to them in school, and described the lived experience of assimilating holistic comfort into their attitudes and behaviors in practice. Themes were established and a conceptual framework was developed to better understand the nurses' lived experiences. Results showed that holistic comfort was experienced as a constructive approach to transcend unavoidable difficulties during the transition from school to practice. Participants described meaningful learning and acquisition of self-strengthening behaviors using holistic comfort theory. Holistic comfort principles were credited for easing nurses into the realities of work and advocating for best patient outcomes. Patient safety and pride in patient care were incidental positive outcomes. The study offers new insights about applying holistic comfort to prepare nurses for the realities of practice. Copyright © 2012 Elsevier Ltd. All rights reserved.

Massively parallel and linear-scaling algorithm for second-order Møller-Plesset perturbation theory applied to the study of supramolecular wires

NASA Astrophysics Data System (ADS)

Kjærgaard, Thomas; Baudin, Pablo; Bykov, Dmytro; Eriksen, Janus Juul; Ettenhuber, Patrick; Kristensen, Kasper; Larkin, Jeff; Liakh, Dmitry; Pawłowski, Filip; Vose, Aaron; Wang, Yang Min; Jørgensen, Poul

2017-03-01

We present a scalable cross-platform hybrid MPI/OpenMP/OpenACC implementation of the Divide-Expand-Consolidate (DEC) formalism with portable performance on heterogeneous HPC architectures. The Divide-Expand-Consolidate formalism is designed to reduce the steep computational scaling of conventional many-body methods employed in electronic structure theory to linear scaling, while providing a simple mechanism for controlling the error introduced by this approximation. Our massively parallel implementation of this general scheme has three levels of parallelism, being a hybrid of the loosely coupled task-based parallelization approach and the conventional MPI +X programming model, where X is either OpenMP or OpenACC. We demonstrate strong and weak scalability of this implementation on heterogeneous HPC systems, namely on the GPU-based Cray XK7 Titan supercomputer at the Oak Ridge National Laboratory. Using the "resolution of the identity second-order Møller-Plesset perturbation theory" (RI-MP2) as the physical model for simulating correlated electron motion, the linear-scaling DEC implementation is applied to 1-aza-adamantane-trione (AAT) supramolecular wires containing up to 40 monomers (2440 atoms, 6800 correlated electrons, 24 440 basis functions and 91 280 auxiliary functions). This represents the largest molecular system treated at the MP2 level of theory, demonstrating an efficient removal of the scaling wall pertinent to conventional quantum many-body methods.

Computer based interpretation of infrared spectra-structure of the knowledge-base, automatic rule generation and interpretation

NASA Astrophysics Data System (ADS)

Ehrentreich, F.; Dietze, U.; Meyer, U.; Abbas, S.; Schulz, H.

1995-04-01

It is a main task within the SpecInfo-Project to develop interpretation tools that can handle a great deal more of the complicated, more specific spectrum-structure-correlations. In the first step the empirical knowledge about the assignment of structural groups and their characteristic IR-bands has been collected from literature and represented in a computer readable well-structured form. Vague, verbal rules are managed by introduction of linguistic variables. The next step was the development of automatic rule generating procedures. We had combined and enlarged the IDIOTS algorithm with the algorithm by Blaffert relying on set theory. The procedures were successfully applied to the SpecInfo database. The realization of the preceding items is a prerequisite for the improvement of the computerized structure elucidation procedure.

Mechanical properties of multifunctional structure with viscoelastic components based on FVE model

NASA Astrophysics Data System (ADS)

Hao, Dong; Zhang, Lin; Yu, Jing; Mao, Daiyong

2018-02-01

Based on the models of Lion and Kardelky (2004) and Hofer and Lion (2009), a finite viscoelastic (FVE) constitutive model, considering the predeformation-, frequency- and amplitude-dependent properties, has been proposed in our earlier paper [1]. FVE model is applied to investigating the dynamic characteristics of the multifunctional structure with the viscoelastic components. Combing FVE model with the finite element theory, the dynamic model of the multifunctional structure could be obtained. Additionally, the parametric identification and the experimental verification are also given via the frequency-sweep tests. The results show that the computational data agree well with the experimental data. FVE model has made a success of expressing the dynamic characteristics of the viscoelastic materials utilized in the multifunctional structure. The multifunctional structure technology has been verified by in-orbit experiments.

Toward a Cultural Advancement of Tinto's Theory

ERIC Educational Resources Information Center

Guiffrida, Douglas A.

2006-01-01

Despite the broad appeal of Tinto's (1993) theory, it is not well supported by empirical research, especially when applied to minority students. While prior critiques of the theory indicate the need to modify Tinto's concept of "breaking away" when applying the theory to diverse students, research suggests a need for additional refinements. In…

Determining the Optimal Work Breakdown Structure for Defense Acquisition Contracts

DTIC Science & Technology

2016-03-24

programs. Public utility corresponds with the generally understood concept that having more money is desirable, and having less money is not desirable...From this perspective, program completion on budget provides maximum utility , while being over budget reduces utility as there is less money for other...tree. Utility theory tools were applied using three utility perspectives, and optimal WBSs were identified. Results demonstrated that reporting at WBS

Acoustic Wave Dispersion and Scattering in Complex Marine Sediment Structures

DTIC Science & Technology

2018-03-21

Developed theory and methodology to distinguish between the two major classes of volume heterogeneities, discrete particles or a fluctuation...acoustics of muddy sediments has become of intense interest in the ONR community and very large and non -linear gradients have been observed in such...method was applied to measured reflection data in a muddy sediment area, where highly non -linear depth-dependent profiles were obtained – informed by the

Decentralized Network Interdiction Games

DTIC Science & Technology

2015-12-31

approach is termed as the sample average approximation ( SAA ) method, and theories on the asymptotic convergence to the original problem’s optimal...used in the SAA method’s convergence. While we provided detailed proof of such convergence in [P3], a side benefit of the proof is that it weakens the...conditions required when applying the general SAA approach to the block-structured stochastic programming problem 17. As the conditions known in the

Probing Structural Perturbation in a Bent Molecular Crystal with Synchrotron Infrared Microspectroscopy and Periodic Density Functional Theory Calculations.

PubMed

Pejov, Ljupčo; Panda, Manas K; Moriwaki, Taro; Naumov, Panče

2017-02-15

The range of unit cell orientations generated at the kink of a bent single crystal poses unsurmountable challenges with diffraction analysis and limits the insight into the molecular-scale mechanism of bending. On a plastically bent crystal of hexachlorobenzene, it is demonstrated here that spatially resolved microfocus infrared spectroscopy using synchrotron radiation can be applied in conjunction with periodic density functional theory calculations to predict spectral changes or to extract information on structural changes that occur as a consequence of bending. The approach reproduces well the observed trends, such as the wall effects, and provides estimations of the vibrational shifts, unit cell deformations, and intramolecular parameters. Generally, expansion of the lattice induces red-shift while compression induces larger blue-shift of the characteristic ν(C-C) and ν(C-Cl) modes. Uniform or non-uniform expansion or contraction of the unit cell of 0.1 Å results in shifts of several cm -1 , whereas deformation of the cell of 0.5° at the unique angle causes shifts of <0.5 cm -1 . Since this approach does not include parameters related to the actual stimulus by which the deformation has been induced, it can be generalized and applied to other mechanically, photochemically, or thermally bent crystals.