Theoretical aspects of an electricity marginal cost model
Oyama, T.
1986-01-01
A separable programming model has been built to estimate electricity marginal costs. The model can be solved by applying linear programming techniques, hence marginal costs are obtained from shadow prices of model's optimal solution. In order to obtain more accurate and more detailed composition of electricity marginal costs, shadow prices are mathematically explained rigorously from model's structural points of view. Theoretical aspects of our electricity marginal cost model are investigated by applying theory of linear programming. Furthermore, various types of mathematical expression are also shown with their interpretation in the real power system.
Theoretical aspects of an electricity marginal cost model
Oyama, T.
1987-05-01
A separable programming model has been built to estimate electricity marginal costs. The model can be solved by applying linear programming techniques, hence marginal costs are obtained from shadow prices of model's optimal solution. In order to obtain more accurate and more detailed composition of electricity marginal costs, shadow prices are mathematically explained rigorously from model's structural points of view. Theoretical aspects of our electricity marginal cost model are investigated by applying theory of linear programming. Furthermore, various types of mathematical expression are also shown with their interpretation in the real power system.
The theoretical aspects of UrQMD & AMPT models
NASA Astrophysics Data System (ADS)
Saini, Abhilasha; Bhardwaj, Sudhir
2016-05-01
The field of high energy physics is very challenging in carrying out theories and experiments to unlock the secrets of heavy ion collisions and still not cracked and solved completely. There are many theoretical queries; some may be due to the inherent causes like the non-perturbative nature of QCD in the strong coupling limit, also due to the multi-particle production and evolution during the heavy ion collisions which increase the complexity of the phenomena. So for the purpose of understanding the phenomena, variety of theories and ideas are developed which are usually implied in the form of Monte-Carlo codes. The UrQMD model and the AMPT model are discussed here in detail. These methods are useful in modeling the nuclear collisions.
Information theoretic aspects of the two-dimensional Ising model.
Lau, Hon Wai; Grassberger, Peter
2013-02-01
We present numerical results for various information theoretic properties of the square lattice Ising model. First, using a bond propagation algorithm, we find the difference 2H(L)(w)-H(2L)(w) between entropies on cylinders of finite lengths L and 2L with open end cap boundaries, in the limit L→∞. This essentially quantifies how the finite length correction for the entropy scales with the cylinder circumference w. Secondly, using the transfer matrix, we obtain precise estimates for the information needed to specify the spin state on a ring encircling an infinitely long cylinder. Combining both results, we obtain the mutual information between the two halves of a cylinder (the "excess entropy" for the cylinder), where we confirm with higher precision but for smaller systems the results recently obtained by Wilms et al., and we show that the mutual information between the two halves of the ring diverges at the critical point logarithmically with w. Finally, we use the second result together with Monte Carlo simulations to show that also the excess entropy of a straight line of n spins in an infinite lattice diverges at criticality logarithmically with n. We conjecture that such logarithmic divergence happens generically for any one-dimensional subset of sites at any two-dimensional second-order phase transition. Comparing straight lines on square and triangular lattices with square loops and with lines of thickness 2, we discuss questions of universality. PMID:23496480
Information theoretic aspects of the two-dimensional Ising model
NASA Astrophysics Data System (ADS)
Lau, Hon Wai; Grassberger, Peter
2013-02-01
We present numerical results for various information theoretic properties of the square lattice Ising model. First, using a bond propagation algorithm, we find the difference 2HL(w)-H2L(w) between entropies on cylinders of finite lengths L and 2L with open end cap boundaries, in the limit L→∞. This essentially quantifies how the finite length correction for the entropy scales with the cylinder circumference w. Secondly, using the transfer matrix, we obtain precise estimates for the information needed to specify the spin state on a ring encircling an infinitely long cylinder. Combining both results, we obtain the mutual information between the two halves of a cylinder (the “excess entropy” for the cylinder), where we confirm with higher precision but for smaller systems the results recently obtained by Wilms , and we show that the mutual information between the two halves of the ring diverges at the critical point logarithmically with w. Finally, we use the second result together with Monte Carlo simulations to show that also the excess entropy of a straight line of n spins in an infinite lattice diverges at criticality logarithmically with n. We conjecture that such logarithmic divergence happens generically for any one-dimensional subset of sites at any two-dimensional second-order phase transition. Comparing straight lines on square and triangular lattices with square loops and with lines of thickness 2, we discuss questions of universality.
Some theoretical and computational aspects of a simplified subchannel model
Neil, C.H.
1983-01-01
Some recently obtained results are presented concerning the qualitative behavior of solutions to equations governing a simplified subchannel model for reactor hydrodynamics. The model describes time-independent flow of an incompressible fluid in two parallel, interconnected channels, subject to axial and lateral pressure drops defined by a Darcy friction factor. The phase portrait for the system of ordinary differential equations is presented, a solution to a boundary-value problem describing flow blockage is discussed, and the effect of the qualitative behavior of solutions on their numerical approximation is examined. The study was undertaken to determine the cause of numerical difficulty in approximating solutions to problems.
Theoretical aspects and practical implications of the heuristic drift SOL model
NASA Astrophysics Data System (ADS)
Goldston, R. J.
2015-08-01
The heuristic drift (HD) model for the tokamak power scrape-off layer width provides remarkable agreement in both absolute magnitude and scalings with the measured width of the exponential component of the heat flux at divertors targets, in low gas-puff H-Mode tokamaks. This motivates further exploration of its theoretical aspects and practical implications. The HD model requires a small non-ambipolar electron particle diffusivity ∼10-2 m2/s. It also implies large parallel heat flux in ITER and suggests that more radical approaches will be needed to handle the ∼20 GW/m2 parallel heat flux expected in Demo. Remarkably, the HD model is also in good agreement with recent near-SOL heat flux profiles measured in a number of limiter L-Mode experiments, implying ubiquity of the underlying mechanism. Finally, the HD model suggests that the H-Mode and more generally Greenwald density limit may be caused by MHD instability in the SOL, rather than originating in the core plasma or pedestal. If the SOL width in stellarators is set by magnetic topology rather than by drifts, this would be consistent with the absence of the Greenwald density limit in stellarators.
Some Theoretical Aspects for Elastic Wave Modeling in a Recently Developed Spectral Element Method
NASA Astrophysics Data System (ADS)
Wang, X. M.; Seriani, G.; Lin, W. J.
2006-10-01
A spectral element method has been recently developed for solving elastodynamic problems. The numerical solutions are obtained by using the weak formulation of the elastodynamic equation for heterogeneous media and by the Galerkin approach applied to a partition, in small subdomains, of the original physical domain under investigation. In the present work some mathematical aspects of the method and of the associated algorithm implementation are systematically investigated. Two kinds of orthogonal basis functions, constructed with Legendre and Chebyshev polynomials, and their related Gauss-Lobbatto collocation points, used in reference element quadrature, are introduced. The related analytical integration formulas are obtained. The standard error estimations and expansion convergence are discussed. In order to improve the computation accuracy and efficiency, an element-by-element pre-conditioned conjugate gradient linear solver in the space domain and a staggered predictor/multi-corrector algorithm in the time integration are used for strong heterogeneous elastic media. As a consequence neither the global matrices, nor the effective force vector is assembled. When analytical formula are used for the element quadrature, there is even no need for forming element matrix in order to further save memory without loosing much in computational efficiency. The element-by-element algorithm uses an optimal tensor product scheme which makes spectral element methods much more efficient than finite-element methods from the point of view of both memory storage and computational time requirements. This work is divided into two parts. The second part will give the algorithm implementation, numerical accuracy and efficiency analyses, and then the modelling example comparison of the proposed spectral element method with a conventional finite-element method and a staggered pseudo-spectral method that is to be reported in the other work.
Theoretic aspects of the identification of the parameters in the optimal control model
NASA Technical Reports Server (NTRS)
Vanwijk, R. A.; Kok, J. J.
1977-01-01
The identification of the parameters of the optimal control model from input-output data of the human operator is considered. Accepting the basic structure of the model as a cascade of a full-order observer and a feedback law, and suppressing the inherent optimality of the human controller, the parameters to be identified are the feedback matrix, the observer gain matrix, and the intensity matrices of the observation noise and the motor noise. The identification of the parameters is a statistical problem, because the system and output are corrupted by noise, and therefore the solution must be based on the statistics (probability density function) of the input and output data of the human operator. However, based on the statistics of the input-output data of the human operator, no distinction can be made between the observation and the motor noise, which shows that the model suffers from overparameterization.
Theoretical aspects of light meson spectroscopy
Barnes, T. |
1995-12-31
In this pedagogical review the authors discuss the theoretical understanding of light hadron spectroscopy in terms of QCD and the quark model. They begin with a summary of the known and surmised properties of QCD and confinement. Following this they review the nonrelativistic quark potential model for q{anti q} mesons and discuss the quarkonium spectrum and methods for identifying q{anti q} states. Finally, they review theoretical expectations for non-q{anti q} states (glueballs, hybrids and multiquark systems) and the status of experimental candidates for these states.
NASA Astrophysics Data System (ADS)
Foster, Ralph; Patoux, Jerome; Horstmann, Jochen; Wackerman, Chris; Graber, Hans
2013-04-01
Analysis of synthetic aperture radar (SAR) images of the sea surface underneath tropical cyclones shows clear evidence of organized bands of surface wind convergence and wind stress curl. These patterns are consistent with the effects of planetary boundary roll vortices, except the observed wavelengths are O(10 km), which implies the rolls have aspect ratios (wavelength/PBL depth) many times what has been commonly observed in hurricane boundary layers (typically 2.5). The tropical cyclone boundary layer is a very favorable environment for the formation of roll vortices and observations show that O(1-3 km) wavelength rolls are a very common feature. We present an extension of the Foster (2005) nonlinear theory for hurricane PBL roll formation that posits a nonlinear, wave-wave, upscale energy transfer mechanism for the formation of large aspect ratio rolls. These large-aspect ratio rolls induce a circulation that extends from the sea-surface into the storm interior above the boundary layer and modulates the smaller rolls. Implications for improving SAR surface wind retrievals, hurricane boundary layer parameterization and surface fluxes are presented.
NASA Astrophysics Data System (ADS)
Sjostrand, Torbjorn
2012-03-01
The nature of observable events at the LHC is mainly determined by QCD physics, i.e. strong interactions. The search for new physics obviously implies a desire to go beyond QCD. Nevertheless, also in cases where non-QCD processes are studied, new aspects of QCD physics may enter the back door. We here give three examples: decays with R-parity violation in SUSY, the formation of long-lived R-hadrons in SUSY, and parton showers and hadronization in Hidden Valley scenarios. These three possibilities have been implemented in the general-purpose PYTHIA event generator, so that detailed studies of consequences can be performed.
Theoretical aspects of the biological catch bond.
Prezhdo, Oleg V; Pereverzev, Yuriy V
2009-06-16
The biological catch bond is fascinating and counterintuitive. When an external force is applied to a catch bond, either in vivo or in vitro, the bond resists breaking and becomes stronger instead. In contrast, ordinary slip bonds, which represent the vast majority of biological and chemical bonds, dissociate faster when subjected to a force. Catch-bond behavior was first predicted theoretically 20 years ago and has recently been experimentally observed in a number of protein receptor-ligand complexes. In this Account, we review the simplest physical-chemical models that lead to analytic expressions for bond lifetime, the concise universal representations of experimental data, and the explicit requirements for catch binding. The phenomenon has many manifestations: increased lifetime with growing constant force is its defining characteristic. If force increases with time, as in jump-ramp experiments, catch binding creates an additional maximum in the probability density of bond rupture force. The new maximum occurs at smaller forces than the slip-binding maximum, merging with the latter at a certain ramp rate in a process resembling a phase transition. If force is applied periodically, as in blood flows, catch-bond properties strongly depend on force frequency. Catch binding results from a complex landscape of receptor-ligand interactions. Bond lifetime can increase if force (i) prevents dissociation through the native pathway and drives the system over a higher energy barrier or (ii) alters protein conformations in a way that strengthens receptor-ligand binding. The bond deformations can be associated with allostery; force-induced conformational changes at one end of the protein propagate to the binding site at the other end. Surrounding water creates further exciting effects. Protein-water tension provides an additional barrier that can be responsible for significant drops in bond lifetimes observed at low forces relative to zero force. This strong dependence of
2013-01-01
Background The aim of this report is to provide a mathematical model of the mechanism for making binary fate decisions about cell death or survival, during and after Photodynamic Therapy (PDT) treatment, and to supply the logical design for this decision mechanism as an application of rate distortion theory to the biochemical processing of information by the physical system of a cell. Methods Based on system biology models of the molecular interactions involved in the PDT processes previously established, and regarding a cellular decision-making system as a noisy communication channel, we use rate distortion theory to design a time dependent Blahut-Arimoto algorithm where the input is a stimulus vector composed of the time dependent concentrations of three PDT related cell death signaling molecules and the output is a cell fate decision. The molecular concentrations are determined by a group of rate equations. The basic steps are: initialize the probability of the cell fate decision, compute the conditional probability distribution that minimizes the mutual information between input and output, compute the cell probability of cell fate decision that minimizes the mutual information and repeat the last two steps until the probabilities converge. Advance to the next discrete time point and repeat the process. Results Based on the model from communication theory described in this work, and assuming that the activation of the death signal processing occurs when any of the molecular stimulants increases higher than a predefined threshold (50% of the maximum concentrations), for 1800s of treatment, the cell undergoes necrosis within the first 30 minutes with probability range 90.0%-99.99% and in the case of repair/survival, it goes through apoptosis within 3-4 hours with probability range 90.00%-99.00%. Although, there is no experimental validation of the model at this moment, it reproduces some patterns of survival ratios of predicted experimental data. Conclusions
Acting Out; Theoretical and Clinical Aspects.
ERIC Educational Resources Information Center
Abt, Lawrence Edwin, Ed.; Weissman, Stuart L.
The beneficial and harmful effects of acting out are studied in a series of short essays by numerous authors. Included are four articles on the theoretical and dynamic considerations of acting out, along with five clinical manifestations of acting out involving suicide and criminality in adolescents and adults. Special forms of harmful acting out…
Theoretical and computational aspects of seismic tomography
NASA Astrophysics Data System (ADS)
Alekseev, A. S.; Lavrentiev, M. M.; Romanov, V. G.; Romanov, M. E.
1990-12-01
This paper reviews aspects related to applications of seismic wave kinematics for the reconstruction of internal characteristics of an elastic medium. It presents the results of studying the inverse kinematic seismic problem and its linear analogue — problems of integral geometry, obtained in recent decades with an emphasis on the work done by Soviet scientists. Computational techniques of solving these problems are discussed. This review should be of interest to geophysicists studying the oceans, atmosphere and ionosphere as well as those studying the solid part of the Earth.
Theoretical aspects of fibre laser cutting
NASA Astrophysics Data System (ADS)
Mahrle, A.; Beyer, E.
2009-09-01
Fibre lasers offer distinct advantages over established laser systems with respect to power efficiency, beam guidance and beam quality. Consequently, the potential of these new laser beam sources will be increasingly exploited for laser cutting applications that are conventionally carried out with CO2 lasers. However, theoretical estimates of the effective absorptivity at the cut front suggest that the shorter wavelength of the fibre laser in combination with its high focusability seems to be primarily advantageous for thin sheet metal cutting whereas the CO2 laser is probably still capable of cutting thicker materials more efficiently. This surprising result is a consequence of the absorptivity behaviour of metals that shows essential quantitative differences for the corresponding wavelengths of both laser sources as a function of the angle of incidence between the laser beam and the material to be cut. In evaluation of the revealed dependences, solution strategies for an improvement of the efficiency of fibre laser cutting of thicker metal sheets are suggested.
Brain stimulation using electromagnetic sources: theoretical aspects.
Heller, L; van Hulsteyn, D B
1992-01-01
We prove that, at the frequencies generally proposed for extracranial stimulation of the brain, it is not possible, using any superposition of external current sources, to produce a three-dimensional local maximum of the electric field strength inside the brain. The maximum always occurs on a boundary where the conductivity jumps in value. Nevertheless, it may be possible to achieve greater two-dimensional focusing and shaping of the electric field than is currently available. Towards this goal we have used the reciprocity theorem to present a uniform treatment of the electric field inside a conducting medium produced by a variety of sources: an external magnetic dipole (current loop), an external electric dipole (linear antenna), and surface and depth electrodes. This formulation makes use of the lead fields from magneto- and electroencephalography. For the special case of a system with spherically symmetric conductivity, we derive a simple analytic formula for the electric field due to an external magnetic dipole. This formula is independent of the conductivity profile and therefore embraces spherical models with any number of shells. This explains the "insensitivity" to the skull's conductivity that has been described in numerical studies. We also present analytic formulas for the electric field due to an electric dipole, and also surface and depth electrodes, for the case of a sphere of constant conductivity. PMID:1420862
Teacher Selection: Legal, Practical, and Theoretical Aspects. UCEA Monograph Series.
ERIC Educational Resources Information Center
Young, I. Philip; Ryerson, Dean
This monograph, structured for administrative use in analyzing and building systems for selecting teachers, outlines the legal, applied, and theoretical issues of teacher selection. This overview is presented in five sections. "Legal Aspects of Teacher Selection" examines individual rights and employer reactions in relation to federal and state…
3D barcodes: theoretical aspects and practical implementation
NASA Astrophysics Data System (ADS)
Gladstein, David; Kakarala, Ramakrishna; Baharav, Zachi
2015-02-01
This paper introduces the concept of three dimensional (3D) barcodes. A 3D barcode is composed of an array of 3D cells, called modules, and each can be either filled or empty, corresponding to two possible values of a bit. These barcodes have great theoretical promise thanks to their very large information capacity, which grows as the cube of the linear size of the barcode, and in addition are becoming practically manufacturable thanks to the ubiquitous use of 3D printers. In order to make these 3D barcodes practical for consumers, it is important to keep the decoding simple using commonly available means like smartphones. We therefore limit ourselves to decoding mechanisms based only on three projections of the barcode, which imply specific constraints on the barcode itself. The three projections produce the marginal sums of the 3D cube, which are the counts of filled-in modules along each Cartesian axis. In this paper we present some of the theoretical aspects of the 2D and 3D cases, and describe the resulting complexity of the 3D case. We then describe a method to reduce these complexities into a practical application. The method features an asymmetric coding scheme, where the decoder is much simpler than the encoder. We close by demonstrating 3D barcodes we created and their usability.
K-theoretic aspects of string theory dualities
NASA Astrophysics Data System (ADS)
Mendez-Diez, Stefan Milo
String theory is a a physical field theory in which point particles are replaced by 1-manifolds propagating in time, called strings. The 2-manifold representing the time evolution of a string is called the string worldsheet. Strings can be either closed (meaning their worldsheets are closed surfaces) or open (meaning their worldsheets have boundary). A D-brane is a submanifold of the spacetime manifold on which string endpoints are constrained to lie. There are five different string theories that have supersymmetry, and they are all related by various dualities. This dissertation will review how D-branes are classified by K-theory. We will then explore the K-theoretic aspects of a hypothesized duality between the type I theory compactified on a 4-torus and the type IIA theory compactified on a K3 surface, by looking at a certain blow down of the singular limit of K3. This dissertation concludes by classifying D-branes on the type II orientifold Tn/Z2 when the Z2 action is multiplication by -1 and the H-flux is trivial. We find that classifying D-branes on the singular limit of K3, T4/Z2 by equivariant K-theory agrees with the classification of D-branes on a smooth K3 surface by ordinary K-theory.
Theoretical aspects of solid hydrogen halides under pressure
NASA Astrophysics Data System (ADS)
Jansen, Robert W.; Bertoncini, Rita; Pinnick, David A.; Katz, Allen I.; Hanson, R. C.; Sankey, Otto F.; O'keeffe, Michael
1987-06-01
The electronic and dynamic properties of the solid phases of HF, HCl, and HBr under pressure are studied theoretically. A simple model is constructed so that the pressure-dependent properties of these systems and possibly other hydrogen-bonded systems can be studied in terms of a few parameters. The model predicts quite simply the pressure dependence of the stretching-mode frequency and the nature of the phase transition from the molecular hydrogen-bonded phase to a new symmetrical hydrogen-bonded (nonmolecular) phase. Quantum effects due to the light hydrogen atom are taken into account within a many-body Hartree approximation. New experimental data on the pressure dependence of the symmetric-stretching-mode frequency in HF is presented. The possibility of soliton formation is discussed and it is shown how pressure may act as a unique tuner to adjust the energetics of these nonlinear excitations. In addition, we report the results of our ab initio calculations of the total energy of ringlike structures of HF and the first ab initio pseudopotential calculation of the band structure and total energy of solid HBr. The calculations for HF are within the Hartree-Fock approximation, while those of solid HBr are within the local-density approximation and have been simplified by considering a linear instead of a zigzag geometry. The use of the local-density approximation for hydrogen is also discussed.
Theoretical Foundation for Weld Modeling
NASA Technical Reports Server (NTRS)
Traugott, S.
1986-01-01
Differential equations describe physics of tungsten/inert-gas and plasma-arc welding in aluminum. Report collects and describes necessary theoretical foundation upon which numerical welding model is constructed for tungsten/inert gas or plasma-arc welding in aluminum without keyhole. Governing partial differential equations for flow of heat, metal, and current given, together with boundary conditions relevant to welding process. Numerical estimates for relative importance of various phenomena and required properties of 2219 aluminum included
Theoretical Models of Generalized Quasispecies.
Wagner, Nathaniel; Atsmon-Raz, Yoav; Ashkenasy, Gonen
2016-01-01
Theoretical modeling of quasispecies has progressed in several directions. In this chapter, we review the works of Emmanuel Tannenbaum, who, together with Eugene Shakhnovich at Harvard University and later with colleagues and students at Ben-Gurion University in Beersheva, implemented one of the more useful approaches, by progressively setting up various formulations for the quasispecies model and solving them analytically. Our review will focus on these papers that have explored new models, assumed the relevant mathematical approximations, and proceeded to analytically solve for the steady-state solutions and run stochastic simulations . When applicable, these models were related to real-life problems and situations, including changing environments, presence of chemical mutagens, evolution of cancer and tumor cells , mutations in Escherichia coli, stem cells , chromosomal instability (CIN), propagation of antibiotic drug resistance , dynamics of bacteria with plasmids , DNA proofreading mechanisms, and more. PMID:26373410
Aspect-Oriented Design with Reusable Aspect Models
NASA Astrophysics Data System (ADS)
Kienzle, Jörg; Al Abed, Wisam; Fleurey, Franck; Jézéquel, Jean-Marc; Klein, Jacques
The idea behind Aspect-Oriented Modeling (AOM) is to apply aspect-oriented techniques to (software) models with the aim of modularizing crosscutting concerns. This can be done within different modeling notations, at different levels of abstraction, and at different moments during the software development process. This paper demonstrates the applicability of AOM during the software design phase by presenting parts of an aspect-oriented design of a crisis management system. The design solution proposed in this paper is based on the Reusable Aspect Models (RAM) approach, which allows a modeler to express the structure and behavior of a complex system using class, state and sequence diagrams encapsulated in several aspect models. The paper describes how the model of the "create mission" functionality of the server backend can be decomposed into 23 inter-dependent aspect models. The presentation of the design is followed by a discussion on the lessons learned from the case study. Next, RAM is compared to 8 other AOM approaches according to 6 criteria: language, concern composition, asymmetric and symmetric composition, maturity, and tool support. To conclude the paper, a discussion section points out the features of RAM that specifically support reuse.
Theoretical aspects of steady and unsteady laminar separation
NASA Astrophysics Data System (ADS)
Smith, F. T.
1984-06-01
The paper describes recent developments as well as basic aspects, for the rational theory of steady and unsteady separation. Steady two-dimensional separation is broadly accounted for but difficulties in describing large-scale eddy closure are emphasized. Steady three-dimensional separation theory is still in its early stages. Unsteady separation is linked closely with instabilities, e.g. in the boundary layer and separating shear layer, and with dynamic stall.
Managing interdisciplinary health research--theoretical and practical aspects.
Aagaard-Hansen, Jens; Ouma, John Henry
2002-01-01
Interdisciplinary health research can offer valuable evidence for health care managers. However, there are specific challenges regarding the management of such projects. Based on 7 years of experience from a project in western Kenya, the authors point to the need for a sufficient time horizon, a high level of communication, equity between the disciplines and the identification of appropriate evaluation criteria as issues to be considered. The theoretical framework of Rosenfield was modified to comply with the complexities of field management. PMID:12298143
Molecular switches in carbon-rich organometallic compounds: Theoretical aspects
NASA Astrophysics Data System (ADS)
Costuas, Karine
2015-01-01
Organometallic complexes associated with an appropriate choice of ancillary ligands reveal to have a wide range of physical properties leading to promising applications when incorporated in nano-size devices. The challenge is to design innovative multifunctional compounds based on redox active carbon-rich organometallics associated with spin carriers and/or photochromic units. A multidisciplinary approach in this area has proved to be efficient in a series a systems combining carbon-rich bridging ligands and redox metallic moieties. In this domain, the role of theoretical investigations based on quantum mechanics tools have a crucial role in rationalizing and in helping designing systems possessing target properties.
Molecular switches in carbon-rich organometallic compounds: Theoretical aspects
Costuas, Karine
2015-01-22
Organometallic complexes associated with an appropriate choice of ancillary ligands reveal to have a wide range of physical properties leading to promising applications when incorporated in nano-size devices. The challenge is to design innovative multifunctional compounds based on redox active carbon-rich organometallics associated with spin carriers and/or photochromic units. A multidisciplinary approach in this area has proved to be efficient in a series a systems combining carbon-rich bridging ligands and redox metallic moieties. In this domain, the role of theoretical investigations based on quantum mechanics tools have a crucial role in rationalizing and in helping designing systems possessing target properties.
Theoretical aspects of product formation from the NCO + NO reaction
Lin, M.C.; He, Y. ); Melius, C.F. )
1993-09-09
The reaction of NCO with NO, an important elementary process involved in the reduction of NO[sub x] by HNCO, has been studied theoretically using the BAC-MP4 technique in conjunction with RRKM calculations. The computed molecular structures and thermochemical data for various intermediates and transition states suggest that the reaction takes place primarily via the singlet, ground electronic state OCNNO molecule according to the following mechanism; (step a) NCO + NO [leftrightarrow] [sup 1]OCNNO [yields] N[sub 2]O + CO; (step b) NCO + NO [leftrightarrow] [sup 1]OCNNO [yields] c-OCNNO[minus] N[sub 2] + CO[sub 2]. The formation of N[sub 2]O + CO occurs by the fragmentation of the singlet OCNNO intermediate step (a), whereas the production of N[sub 2] + CO[sub 2] by cyclization-fragmentation occurs via step b. The tight transition states leading to the formation of these products, coupled with the loose entrance channel, give rise to the experimentally observed strong negative temperature dependence which can be quantitatively accounted for by the results of RRKM calculations based on the BAC-MP4 data. The experimentally measured product branching ratio for channels a and b could be accounted for theoretically by lowering the calculated energy barrier for step a by 3.6 kcal/mol, corresponding to about 15% of the barrier height. 22 refs., 3 figs., 5 tabs.
Theoretical model of ``fuzz'' growth
NASA Astrophysics Data System (ADS)
Krasheninnikov, Sergei; Smirnov, Roman
2012-10-01
Recent more detailed experiments on tungsten irradiation with low energy helium plasma, relevant to the near-wall plasma conditions in magnetic fusion reactor like ITER, demonstrated (e.g. see Ref. 1) a very dramatic change in both surface morphology and near surface material structure of the samples. In particular, it was shown that a long (mm-scale) and thin (nm-scale) fiber-like structures filled with nano-bubbles, so-called ``fuzz,'' start to grow. In this work theoretical model of ``fuzz'' growth [2] describing the main features observed in experiments is presented. This model, based on the assumption of enhancement of creep of tungsten containing significant fraction of helium atoms and clusters. The results of the MD simulations [3] support this idea and demonstrate a strong reduction of the yield strength for all temperature range. They also show that the ``flow'' of tungsten strongly facilitates coagulation of helium clusters and the formation of nano-bubbles.[4pt] [1] M. J. Baldwin, et al., J. Nucl. Mater. 390-391 (2009) 885;[0pt] [2] S. I. Krasheninnikov, Physica Scripta T145 (2011) 014040;[0pt] [3] R. D. Smirnov and S. I. Krasheninnikov, submitted to J. Nucl. Materials.
Computational and theoretical aspects of biomolecular structure and dynamics
Garcia, A.E.; Berendzen, J.; Catasti, P., Chen, X.
1996-09-01
This is the final report for a project that sought to evaluate and develop theoretical, and computational bases for designing, performing, and analyzing experimental studies in structural biology. Simulations of large biomolecular systems in solution, hydrophobic interactions, and quantum chemical calculations for large systems have been performed. We have developed a code that implements the Fast Multipole Algorithm (FMA) that scales linearly in the number of particles simulated in a large system. New methods have been developed for the analysis of multidimensional NMR data in order to obtain high resolution atomic structures. These methods have been applied to the study of DNA sequences in the human centromere, sequences linked to genetic diseases, and the dynamics and structure of myoglobin.
Theoretical aspects of science with radioactive nuclear beams.
NASA Astrophysics Data System (ADS)
Dobaczewski, J.; Nazarewicz, W.
1998-09-01
Physics of radioactive nuclear beams is one of the main frontiers of nuclear science today. Experimentally, thanks to technological developments, we are on the verge of invading the territory of extreme N/Z ratios in an unprecedented way. Theoretically, nuclear exotica represent a formidable challenge for the nuclear many-body theories and their power to predict nuclear properties in nuclear terra incognita. It is important to remember that the lesson learned by going to the limits of the nuclear binding is also important for 'normal' nuclei from the neighbourhood of the beta stability valley. And, of course, radioactive nuclei are crucial astrophysically; they pave the highway along which the nuclear material is transported up in the proton and neutron numbers during the complicated synthesis process in stars.
Theoretical and Observational Aspects of Expanding H I Shells
NASA Astrophysics Data System (ADS)
Cazzolato, François; Pineault, Serge
2005-06-01
We have modeled H I shells expanding into a homogeneous medium in order to explain some of their observational peculiarities. Such peculiarities include difficult-to-observe caps, the presence of stationary rings, expansion velocity determination problems, inaccurate mass measurements, and a systematic discrepancy between H I missing masses and shell masses. Velocity dispersion within the shell, in the form of either thermal or turbulent motions, has been found to be the likely major cause for the absence of observable caps and the presence of stationary rings, hence explaining the apparent lack of ring transition. We discuss different methods generally used to calculate H I shell masses and show that, if one does not take into account the varying shape of the H I background local to the shell, shell masses are likely to be underestimated by a significant factor whose value depends on the relative shell thickness and the ratio of the dispersion to the expansion velocity.
Classical and Quantum Conditioning:. Mathematical and Information Theoretical Aspects
NASA Astrophysics Data System (ADS)
Accardi, Luigi
2010-01-01
The different notions of stochastic independences, introduced in quantum probability open new fascinating possibilities to deepen our intuition on what a composite system. In the present note we propose a general mathematical definition of composite system which emphasizes the fact that the naive idea, that a physical system is composed of a multiplicity of sub-systems, can be substantiated by a multiplicity of inequivalent mathematical models. This wealth of possibilities can considerably enrich the present approach to the theory of open systems, with potential implications for the theory of measurement and the theory of complex systems, such as biological or economical ones. The standard approach to composite system strongly privileges the tensor product construction and the corresponding notion of stochastic independence. But there are a multiplicity of other possibilities whose mathematical and physical investigation is only at the beginning. In particular, to any notion of statistical independence it is canonically associated a corresponding notion of entanglement.
Theoretical Aspects of Magnetic Fields for Gamma Ray Bursts
NASA Astrophysics Data System (ADS)
Hanami, Hitoshi
We propose magnetic cannon ball mechanism in which the collapse of a magnetosphere onto a black hole can generate strong outward Poynting flux which drives a baryon-free fireball called the magnetic cannon ball. In the early stage, the magnetic fields in the cannon ball can prepare the explanation for the cycrotoron absorptions observed by GINGA. The magnetic cannon ball can drive, in general, a relativistic outflow which interacts with the interstellar matter and forms a shock. The magnetic field in the shock approximately equal to 104 G can induce the synchrotron radiations with peaks at approximately equal to 10^2 keV observed. This magnetic field in the cannon ball can also confine the high energy protons (gamma_p > 30) which are required for delayed photons (>25 GeV) following a burst on 1994 February 17. Accretion induced collapse of a white dwarf of > 109 G, merger of a close binary and failed type Ib supernovae are possible scenarios even without the rotation of the central object. This mechanism works at the final phase of gravitational collapse even after a neutrino driven fireball proposed in most scenarios for gamma ray bursts. Twice bursts, which consist of primary neutrino driven fireball and secondary magnetic cannon ball can be induced sometime, can be explained in this model. It suggests that the magnetic cannon ball works some parts in multiple populations and delayed or multiple burst events. The final remnant in the model should be a black hole. It implies that any gamma ray bursts can have no optical counter part if they do not have a companion in a binary.
Theoretical aspects of Magic Angle Spinning - Dynamic Nuclear Polarization
NASA Astrophysics Data System (ADS)
Mentink-Vigier, Frederic; Akbey, Ümit; Oschkinat, Hartmut; Vega, Shimon; Feintuch, Akiva
2015-09-01
Magic Angle Spinning (MAS) combined with Dynamic Nuclear Polarization (DNP) has been proven in recent years to be a very powerful method for increasing solid-state NMR signals. Since the advent of biradicals such as TOTAPOL to increase the nuclear polarization new classes of radicals, with larger molecular weight and/or different spin properties have been developed. These have led to unprecedented signal gain, with varying results for different experimental parameters, in particular the microwave irradiation strength, the static field, and the spinning frequency. Recently it has been demonstrated that sample spinning imposes DNP enhancement processes that differ from the active DNP mechanism in static samples as upon sample spinning the DNP enhancements are the results of energy level anticrossings occurring periodically during each rotor cycle. In this work we present experimental results with regards to the MAS frequency dependence of the DNP enhancement profiles of four nitroxide-based radicals at two different sets of temperature, 110 and 160 K. In fact, different magnitudes of reduction in enhancement are observed with increasing spinning frequency. Our simulation code for calculating MAS-DNP powder enhancements of small model spin systems has been improved to extend our studies of the influence of the interaction and relaxation parameters on powder enhancements. To achieve a better understanding we simulated the spin dynamics of a single three-spin system {ea -eb - n } during its steady state rotor periods and used the Landau-Zener formula to characterize the influence of the different anti-crossings on the polarizations of the system and their necessary action for reaching steady state conditions together with spin relaxation processes. Based on these model calculations we demonstrate that the maximum steady state nuclear polarization cannot become larger than the maximum polarization difference between the two electrons during the steady state rotor cycle
Theoretical aspects of Magic Angle Spinning - Dynamic Nuclear Polarization.
Mentink-Vigier, Frederic; Akbey, Ümit; Oschkinat, Hartmut; Vega, Shimon; Feintuch, Akiva
2015-09-01
Magic Angle Spinning (MAS) combined with Dynamic Nuclear Polarization (DNP) has been proven in recent years to be a very powerful method for increasing solid-state NMR signals. Since the advent of biradicals such as TOTAPOL to increase the nuclear polarization new classes of radicals, with larger molecular weight and/or different spin properties have been developed. These have led to unprecedented signal gain, with varying results for different experimental parameters, in particular the microwave irradiation strength, the static field, and the spinning frequency. Recently it has been demonstrated that sample spinning imposes DNP enhancement processes that differ from the active DNP mechanism in static samples as upon sample spinning the DNP enhancements are the results of energy level anticrossings occurring periodically during each rotor cycle. In this work we present experimental results with regards to the MAS frequency dependence of the DNP enhancement profiles of four nitroxide-based radicals at two different sets of temperature, 110 and 160K. In fact, different magnitudes of reduction in enhancement are observed with increasing spinning frequency. Our simulation code for calculating MAS-DNP powder enhancements of small model spin systems has been improved to extend our studies of the influence of the interaction and relaxation parameters on powder enhancements. To achieve a better understanding we simulated the spin dynamics of a single three-spin system {ea-eb-n} during its steady state rotor periods and used the Landau-Zener formula to characterize the influence of the different anti-crossings on the polarizations of the system and their necessary action for reaching steady state conditions together with spin relaxation processes. Based on these model calculations we demonstrate that the maximum steady state nuclear polarization cannot become larger than the maximum polarization difference between the two electrons during the steady state rotor cycle. This
Explaining Facial Imitation: A Theoretical Model
Meltzoff, Andrew N.; Moore, M. Keith
2013-01-01
A long-standing puzzle in developmental psychology is how infants imitate gestures they cannot see themselves perform (facial gestures). Two critical issues are: (a) the metric infants use to detect cross-modal equivalences in human acts and (b) the process by which they correct their imitative errors. We address these issues in a detailed model of the mechanisms underlying facial imitation. The model can be extended to encompass other types of imitation. The model capitalizes on three new theoretical concepts. First, organ identification is the means by which infants relate parts of their own bodies to corresponding ones of the adult’s. Second, body babbling (infants’ movement practice gained through self-generated activity) provides experience mapping movements to the resulting body configurations. Third, organ relations provide the metric by which infant and adult acts are perceived in commensurate terms. In imitating, infants attempt to match the organ relations they see exhibited by the adults with those they feel themselves make. We show how development restructures the meaning and function of early imitation. We argue that important aspects of later social cognition are rooted in the initial cross-modal equivalence between self and other found in newborns. PMID:24634574
Empirical and theoretical models of terrestrial trapped radiation
Panasyuk, M.I.
1996-07-01
A survey of current Skobeltsyn Institute of Nuclear Physics, Moscow State University (INP MSU) empirical and theoretical models of particles (electrons, protons and heavier irons) of the Earth{close_quote}s radiation belts developed to date is presented. Results of intercomparison of the different models as well as comparison with experimental data are reported. Aspects of further development of radiation condition modelling in near-Earth space are discussed. {copyright} {ital 1996 American Institute of Physics.}
APPRENTICESHIP--A THEORETICAL MODEL.
ERIC Educational Resources Information Center
DUFTY, NORMAN F.
AN INQUIRY INTO RECRUITMENT OF APPRENTICES TO SKILLED TRADES IN WESTERN AUSTRALIA INDICATED LITTLE CORRELATION BETWEEN THE NUMBER OF NEW APPRENTICES AND THE LEVEL OF INDUSTRIAL EMPLOYMENT OR THE TOTAL NUMBER OF APPRENTICES. THIS ARTICLE ATTEMPTS TO OUTLINE A MATHEMATICAL MODEL OF AN APPRENTICESHIP SYSTEM AND DISCUSS ITS IMPLICATIONS. THE MODEL, A…
Theoretical Modelling of Hot Stars
NASA Astrophysics Data System (ADS)
Najarro, F.; Hillier, D. J.; Figer, D. F.; Geballe, T. R.
1999-06-01
Recent progress towards model atmospheres for hot stars is discussed. A new generation of NLTE wind blanketed models, together with high S/N spectra of the hot star population in the central parsec, which are currently being obtained, will allow metal abundance determinations (Fe, Si, Mg, Na, etc). Metallicity studies of hot stars in the IR will provide major constraints not only on the theory of evolution of massive stars but also on our efforts to solve the puzzle of the central parsecs of the Galaxy. Preliminary results suggest that the metallicity of the Pistol Star is 3 times solar, thus indicating strong chemical enrichment of the gas in the Galactic Center.
Theoretical Modeling of Interstellar Chemistry
NASA Technical Reports Server (NTRS)
Charnley, Steven
2009-01-01
The chemistry of complex interstellar organic molecules will be described. Gas phase processes that may build large carbon-chain species in cold molecular clouds will be summarized. Catalytic reactions on grain surfaces can lead to a large variety of organic species, and models of molecule formation by atom additions to multiply-bonded molecules will be presented. The subsequent desorption of these mixed molecular ices can initiate a distinctive organic chemistry in hot molecular cores. The general ion-molecule pathways leading to even larger organics will be outlined. The predictions of this theory will be compared with observations to show how possible organic formation pathways in the interstellar medium may be constrained. In particular, the success of the theory in explaining trends in the known interstellar organics, in predicting recently-detected interstellar molecules, and, just as importantly, non-detections, will be discussed.
Theoretical models of helicopter rotor noise
NASA Technical Reports Server (NTRS)
Hawkings, D. L.
1978-01-01
For low speed rotors, it is shown that unsteady load models are only partially successful in predicting experimental levels. A theoretical model is presented which leads to the concept of unsteady thickness noise. This gives better agreement with test results. For high speed rotors, it is argued that present models are incomplete and that other mechanisms are at work. Some possibilities are briefly discussed.
Aspects of skeletal muscle modelling.
Epstein, Marcelo; Herzog, Walter
2003-01-01
The modelling of skeletal muscle raises a number of philosophical questions, particularly in the realm of the relationship between different possible levels of representation and explanation. After a brief incursion into this area, a list of desiderata is proposed as a guiding principle for the construction of a viable model, including: comprehensiveness, soundness, experimental consistency, predictive ability and refinability. Each of these principles is illustrated by means of simple examples. The presence of internal constraints, such as incompressibility, may lead to counterintuitive results. A one-panel example is exploited to advocate the use of the principle of virtual work as the ideal tool to deal with these situations. The question of stability in the descending limb of the force-length relation is addressed and a purely mechanical analogue is suggested. New experimental results confirm the assumption that fibre stiffness is positive even in the descending limb. The indeterminacy of the force-sharing problem is traditionally resolved by optimizing a, presumably, physically meaningful target function. After presenting some new results in this area, based on a separation theorem, it is suggested that a more fundamental approach to the problem is the abandoning of optimization criteria in favour of an explicit implementation of activation criteria. PMID:14561335
NASA Astrophysics Data System (ADS)
Gheorghiu, M.; Bratu, D.; Olaru, A.; Polonschii, C.; Gheorghiu, E.
2013-04-01
In spite of recent advancement of novel optical and electrical techniques, availability of non-invasive, label-free methods to assess membrane potential of living cells is still an open issue. The theory linking membrane potential to the low frequency α dispersion exhibited by suspensions of spherical shelled particles (presenting a net charge distribution on the inner side of the shell) has been pioneered in our previous studies with emphasis on the permittivity spectra. We now report on both theoretical and experimental aspects showing that whereas α dispersion is related to a rather large variation exhibited by the permittivity spectrum the decrement presented by impedance magnitude spectrum is either extremely small, or occurs (for large cells) at very low frequencies (~mHz) explaining the lack of experimental bioimpedance data on the matter. Based on the microscopic model we indicate that an appropriate design of the experiment may enable access to membrane potential as well as to other relevant parameters when investigating living cells and charged lipid vesicles. We discuss the effect on the low frequency of permittivity and impedance spectra of: I. Parameters pertaining to cell membrane i.e. (i) membrane potential, (ii) size of the cells/vesicles, (iii) conductivity; II. Conductivity of the outer medium. A novel measuring set-up has recently been developed within the International Centre of Biodynamics allowing for sensitive low frequency (~10mHz) four point (bio)impedance assays. Its capability to test theoretical predictions is reported as well. The far reaching implications of this study applicability for life sciences (noninvasive access to the dynamics of relevant cell parameters) as well as for biosensing applications, e.g. assess the cytotoxicity of a wide range of stimuli, will be outlined.
Dimensions of Black Suicide: A Theoretical Model.
ERIC Educational Resources Information Center
Davis, Robert; Short, James F., Jr.
This paper develops a theoretical model of sucide, based on the theory of "external restraints" proposed by previous researchers, A.F. Henry and J.F. Short, Jr., and applies the model to a study of black suicides in Orleans Parish, Louisiana. The focus of the study is on the complexity of relationships between dimensions of black suicide and the…
NASA Technical Reports Server (NTRS)
Henderson, R. A.; Schrag, R. L.
1986-01-01
A summary of modeling the electrical system aspects of a coil and metal target configuration resembling a practical electro-impulse deicing (EIDI) installation, and a simple circuit for providing energy to the coil, was presented. The model was developed in sufficient theoretical detail to allow the generation of computer algorithms for the current in the coil, the magnetic induction on both surfaces of the target, the force between the coil and target, and the impulse delivered to the target. These algorithms were applied to a specific prototype EIDI test system for which the current, magnetic fields near the target surfaces, and impulse were previously measured.
Hybrid quantum teleportation: A theoretical model
Takeda, Shuntaro; Mizuta, Takahiro; Fuwa, Maria; Yoshikawa, Jun-ichi; Yonezawa, Hidehiro; Furusawa, Akira
2014-12-04
Hybrid quantum teleportation – continuous-variable teleportation of qubits – is a promising approach for deterministically teleporting photonic qubits. We propose how to implement it with current technology. Our theoretical model shows that faithful qubit transfer can be achieved for this teleportation by choosing an optimal gain for the teleporter’s classical channel.
Hybrid rocket engine, theoretical model and experiment
NASA Astrophysics Data System (ADS)
Chelaru, Teodor-Viorel; Mingireanu, Florin
2011-06-01
The purpose of this paper is to build a theoretical model for the hybrid rocket engine/motor and to validate it using experimental results. The work approaches the main problems of the hybrid motor: the scalability, the stability/controllability of the operating parameters and the increasing of the solid fuel regression rate. At first, we focus on theoretical models for hybrid rocket motor and compare the results with already available experimental data from various research groups. A primary computation model is presented together with results from a numerical algorithm based on a computational model. We present theoretical predictions for several commercial hybrid rocket motors, having different scales and compare them with experimental measurements of those hybrid rocket motors. Next the paper focuses on tribrid rocket motor concept, which by supplementary liquid fuel injection can improve the thrust controllability. A complementary computation model is also presented to estimate regression rate increase of solid fuel doped with oxidizer. Finally, the stability of the hybrid rocket motor is investigated using Liapunov theory. Stability coefficients obtained are dependent on burning parameters while the stability and command matrixes are identified. The paper presents thoroughly the input data of the model, which ensures the reproducibility of the numerical results by independent researchers.
Theoretical models of neural circuit development.
Simpson, Hugh D; Mortimer, Duncan; Goodhill, Geoffrey J
2009-01-01
Proper wiring up of the nervous system is critical to the development of organisms capable of complex and adaptable behaviors. Besides the many experimental advances in determining the cellular and molecular machinery that carries out this remarkable task precisely and robustly, theoretical approaches have also proven to be useful tools in analyzing this machinery. A quantitative understanding of these processes can allow us to make predictions, test hypotheses, and appraise established concepts in a new light. Three areas that have been fruitful in this regard are axon guidance, retinotectal mapping, and activity-dependent development. This chapter reviews some of the contributions made by mathematical modeling in these areas, illustrated by important examples of models in each section. For axon guidance, we discuss models of how growth cones respond to their environment, and how this environment can place constraints on growth cone behavior. Retinotectal mapping looks at computational models for how topography can be generated in populations of neurons based on molecular gradients and other mechanisms such as competition. In activity-dependent development, we discuss theoretical approaches largely based on Hebbian synaptic plasticity rules, and how they can generate maps in the visual cortex very similar to those seen in vivo. We show how theoretical approaches have substantially contributed to the advancement of developmental neuroscience, and discuss future directions for mathematical modeling in the field. PMID:19427515
Simple theoretical models for composite rotor blades
NASA Technical Reports Server (NTRS)
Valisetty, R. R.; Rehfield, L. W.
1984-01-01
The development of theoretical rotor blade structural models for designs based upon composite construction is discussed. Care was exercised to include a member of nonclassical effects that previous experience indicated would be potentially important to account for. A model, representative of the size of a main rotor blade, is analyzed in order to assess the importance of various influences. The findings of this model study suggest that for the slenderness and closed cell construction considered, the refinements are of little importance and a classical type theory is adequate. The potential of elastic tailoring is dramatically demonstrated, so the generality of arbitrary ply layup in the cell wall is needed to exploit this opportunity.
Theoretical modeling for the stereo mission
NASA Astrophysics Data System (ADS)
Aschwanden, Markus J.; Burlaga, L. F.; Kaiser, M. L.; Ng, C. K.; Reames, D. V.; Reiner, M. J.; Gombosi, T. I.; Lugaz, N.; Manchester, W.; Roussev, I. I.; Zurbuchen, T. H.; Farrugia, C. J.; Galvin, A. B.; Lee, M. A.; Linker, J. A.; Mikić, Z.; Riley, P.; Alexander, D.; Sandman, A. W.; Cook, J. W.; Howard, R. A.; Odstrčil, D.; Pizzo, V. J.; Kóta, J.; Liewer, P. C.; Luhmann, J. G.; Inhester, B.; Schwenn, R. W.; Solanki, S. K.; Vasyliunas, V. M.; Wiegelmann, T.; Blush, L.; Bochsler, P.; Cairns, I. H.; Robinson, P. A.; Bothmer, V.; Kecskemety, K.; Llebaria, A.; Maksimovic, M.; Scholer, M.; Wimmer-Schweingruber, R. F.
2008-04-01
We summarize the theory and modeling efforts for the STEREO mission, which will be used to interpret the data of both the remote-sensing (SECCHI, SWAVES) and in-situ instruments (IMPACT, PLASTIC). The modeling includes the coronal plasma, in both open and closed magnetic structures, and the solar wind and its expansion outwards from the Sun, which defines the heliosphere. Particular emphasis is given to modeling of dynamic phenomena associated with the initiation and propagation of coronal mass ejections (CMEs). The modeling of the CME initiation includes magnetic shearing, kink instability, filament eruption, and magnetic reconnection in the flaring lower corona. The modeling of CME propagation entails interplanetary shocks, interplanetary particle beams, solar energetic particles (SEPs), geoeffective connections, and space weather. This review describes mostly existing models of groups that have committed their work to the STEREO mission, but is by no means exhaustive or comprehensive regarding alternative theoretical approaches.
Propagation studies using a theoretical ionosphere model
NASA Technical Reports Server (NTRS)
Lee, M.
1973-01-01
The mid-latitude ionospheric and neutral atmospheric models are coupled with an advanced three dimensional ray tracing program to see what success would be obtained in predicting the wave propagation conditions and to study to what extent the use of theoretical ionospheric models is practical. The Penn State MK 1 ionospheric model, the Mitra-Rowe D region model, and the Groves' neutral atmospheric model are used throughout this work to represent the real electron densities and collision frequencies. The Faraday rotation and differential Doppler velocities from satellites, the propagation modes for long distance high frequency propagation, the group delays for each mode, the ionospheric absorption, and the spatial loss are all predicted.
Theoretical models for polarimetric radar clutter
NASA Technical Reports Server (NTRS)
Borgeaud, M.; Shin, R. T.; Kong, J. A.
1987-01-01
The Mueller matrix and polarization covariance matrix are described for polarimetric radar systems. The clutter is modeled by a layer of random permittivity, described by a three-dimensional correlation function, with variance, and horizontal and vertical correlation lengths. This model is applied, using the wave theory with Born approximations carried to the second order, to find the backscattering elements of the polarimetric matrices. It is found that 8 out of 16 elements of the Mueller matrix are identically zero, corresponding to a covariance matrix with four zero elements. Theoretical predictions are matched with experimental data for vegetation fields.
Research Developments in Li-Paczyński Novae (I): Theoretical Aspect
NASA Astrophysics Data System (ADS)
Shan-qin, Wang; Zi-gao, Dai; Xue-feng, Wu
2016-04-01
The neutron-rich matter ejected by compact object mergers (neutron star-neutron star merger and neutron star-black hole merger) provides one of the most important environments for the syntheses of r-process elements. In recent seventeen years, theoretical studies suggested that the energy produced during the decay of r-process elements will form optical/near infrared (NIR) radiations after thermalization. This type of optical/NIR transients are called Li-Paczyński novae, or LP-novae for short. Since the typical peak brightness of LP-novae is ∼1000 times brighter than that of a typical nova, they are also called Kilonovae. Besides, both theoretical and observational studies have showed, directly or indirectly, that under certain conditions, the compact object mergers can produce the gamma-ray bursts with a rather short duration of T90 ≤ 2s (SGRBs for short), and most SGRBs may come from compact object mergers. After the identification of SGRB afterglows, dedicated searches of the LP-novae associated with SGRBs have been taken. In this review we present the theoretical progress of LP-novae in recent seventeen years, and the observational aspect will appear in a upcoming paper.
Theoretical models for supercritical fluid extraction.
Huang, Zhen; Shi, Xiao-Han; Jiang, Wei-Juan
2012-08-10
For the proper design of supercritical fluid extraction processes, it is essential to have a sound knowledge of the mass transfer mechanism of the extraction process and the appropriate mathematical representation. In this paper, the advances and applications of kinetic models for describing supercritical fluid extraction from various solid matrices have been presented. The theoretical models overviewed here include the hot ball diffusion, broken and intact cell, shrinking core and some relatively simple models. Mathematical representations of these models have been in detail interpreted as well as their assumptions, parameter identifications and application examples. Extraction process of the analyte solute from the solid matrix by means of supercritical fluid includes the dissolution of the analyte from the solid, the analyte diffusion in the matrix and its transport to the bulk supercritical fluid. Mechanisms involved in a mass transfer model are discussed in terms of external mass transfer resistance, internal mass transfer resistance, solute-solid interactions and axial dispersion. The correlations of the external mass transfer coefficient and axial dispersion coefficient with certain dimensionless numbers are also discussed. Among these models, the broken and intact cell model seems to be the most relevant mathematical model as it is able to provide realistic description of the plant material structure for better understanding the mass-transfer kinetics and thus it has been widely employed for modeling supercritical fluid extraction of natural matters. PMID:22560346
Hindlimb unloading rodent model: technical aspects
NASA Technical Reports Server (NTRS)
Morey-Holton, Emily R.; Globus, Ruth K.
2002-01-01
Since its inception at the National Aeronautics and Space Administration (NASA) Ames Research Center in the mid-1970s, many laboratories around the world have used the rat hindlimb unloading model to simulate weightlessness and to study various aspects of musculoskeletal loading. In this model, the hindlimbs of rodents are elevated to produce a 30 degrees head-down tilt, which results in a cephalad fluid shift and avoids weightbearing by the hindquarters. Although several reviews have described scientific results obtained with this model, this is the first review to focus on the technical aspects of hindlimb unloading. This review includes a history of the technique, a brief comparison with spaceflight data, technical details, extension of the model to mice, and other important technical considerations (e.g., housing, room temperature, unloading angle, the potential need for multiple control groups, age, body weight, the use of the forelimb tissues as internal controls, and when to remove animals from experiments). This paper is intended as a reference for researchers, reviewers of manuscripts, and institutional animal care and use committees. Over 800 references, related to the hindlimb unloading model, can be accessed via the electronic version of this article.
A Theoretical Model of Water and Trade
NASA Astrophysics Data System (ADS)
Dang, Q.; Konar, M.; Reimer, J.; Di Baldassarre, G.; Lin, X.; Zeng, R.
2015-12-01
Water is an essential factor of agricultural production. Agriculture, in turn, is globalized through the trade of food commodities. In this paper, we develop a theoretical model of a small open economy that explicitly incorporates water resources. The model emphasizes three tradeoffs involving water decision-making that are important yet not always considered within the existing literature. One tradeoff focuses on competition for water among different sectors when there is a shock to one of the sectors only, such as trade liberalization and consequent higher demand for the product. A second tradeoff concerns the possibility that there may or may not be substitutes for water, such as increased use of sophisticated irrigation technology as a means to increase crop output in the absence of higher water availability. A third tradeoff explores the possibility that the rest of the world can be a source of supply or demand for a country's water-using products. A number of propositions are proven. For example, while trade liberalization tends to increase water use, increased pressure on water supplies can be moderated by way of a tax that is derivable with observable economic phenomena. Another example is that increased riskiness of water availability tends to cause water users to use less water than would be the case under profit maximization. These theoretical model results generate hypotheses that can be tested empirically in future work.
Requirements for theoretical models of outflows
NASA Technical Reports Server (NTRS)
Linsky, Jeffrey L.
1988-01-01
Recent observational and theoretical investigations of astrophysical mass outflows are reviewed, with a focus on the basic physical principles. Specific limitations on the observational data and their interpretation are listed and discussed. Modeling problems considered include the role of the critical point in determining the mass-loss rate and terminal velocity, the physical processes controlling density at the critical point, the possible coexistence of multiple mass-loss mechanisms, time scales, instabilities and phase changes, multiphase atmospheres and winds, the definition of geometries, the role of the environment, explosive transient events, stochastic phenomena, mode-mode coupling and damping processes, departures from ionization equilibrium, and nonthermal phenomena.
A theoretical model of water and trade
NASA Astrophysics Data System (ADS)
Dang, Qian; Konar, Megan; Reimer, Jeffrey J.; Di Baldassarre, Giuliano; Lin, Xiaowen; Zeng, Ruijie
2016-03-01
Water is an essential input for agricultural production. Agriculture, in turn, is globalized through the trade of agricultural commodities. In this paper, we develop a theoretical model that emphasizes four tradeoffs involving water-use decision-making that are important yet not always considered in a consistent framework. One tradeoff focuses on competition for water among different economic sectors. A second tradeoff examines the possibility that certain types of agricultural investments can offset water use. A third tradeoff explores the possibility that the rest of the world can be a source of supply or demand for a country's water-using commodities. The fourth tradeoff concerns how variability in water supplies influences farmer decision-making. We show conditions under which trade liberalization affect water use. Two policy scenarios to reduce water use are evaluated. First, we derive a target tax that reduces water use without offsetting the gains from trade liberalization, although important tradeoffs exist between economic performance and resource use. Second, we show how subsidization of water-saving technologies can allow producers to use less water without reducing agricultural production, making such subsidization an indirect means of influencing water use decision-making. Finally, we outline conditions under which riskiness of water availability affects water use. These theoretical model results generate hypotheses that can be tested empirically in future work.
Theoretical Models of the Galactic Bulge
NASA Astrophysics Data System (ADS)
Shen, Juntai; Li, Zhao-Yu
Near infrared images from the COBE satellite presented the first clear evidence that our Milky Way galaxy contains a boxy shaped bulge. Recent years have witnessed a gradual paradigm shift in the formation and evolution of the Galactic bulge. Bulges were commonly believed to form in the dynamical violence of galaxy mergers. However, it has become increasingly clear that the main body of the Milky Way bulge is not a classical bulge made by previous major mergers, instead it appears to be a bar seen somewhat end-on. The Milky Way bar can form naturally from a precursor disc and thicken vertically by the internal firehose/buckling instability, giving rise to the boxy appearance. This picture is supported by many lines of evidence, including the asymmetric parallelogram shape, the strong cylindrical rotation (i.e., nearly constant rotation regardless of the height above the disc plane), the existence of an intriguing X-shaped structure in the bulge, and perhaps the metallicity gradients. We review the major theoretical models and techniques to understand the Milky Way bulge. Despite the progresses in recent theoretical attempts, a complete bulge formation model that explains the full kinematics and metallicity distribution is still not fully understood. Upcoming large surveys are expected to shed new light on the formation history of the Galactic bulge.
Modeling generic aspects of ideal fibril formation
NASA Astrophysics Data System (ADS)
Michel, D.
2016-01-01
Many different proteins self-aggregate into insoluble fibrils growing apically by reversible addition of elementary building blocks. But beyond this common principle, the modalities of fibril formation are very disparate, with various intermediate forms which can be reshuffled by minor modifications of physico-chemical conditions or amino-acid sequences. To bypass this complexity, the multifaceted phenomenon of fibril formation is reduced here to its most elementary principles defined for a linear prototype of fibril. Selected generic features, including nucleation, elongation, and conformational recruitment, are modeled using minimalist hypotheses and tools, by separating equilibrium from kinetic aspects and in vitro from in vivo conditions. These reductionist approaches allow to bring out known and new rudiments, including the kinetic and equilibrium effects of nucleation, the dual influence of elongation on nucleation, the kinetic limitations on nucleation and fibril numbers, and the accumulation of complexes in vivo by rescue from degradation. Overlooked aspects of these processes are also pointed: the exponential distribution of fibril lengths can be recovered using various models because it is attributable to randomness only. It is also suggested that the same term "critical concentration" is used for different things, involved in either nucleation or elongation.
Modeling generic aspects of ideal fibril formation.
Michel, D
2016-01-21
Many different proteins self-aggregate into insoluble fibrils growing apically by reversible addition of elementary building blocks. But beyond this common principle, the modalities of fibril formation are very disparate, with various intermediate forms which can be reshuffled by minor modifications of physico-chemical conditions or amino-acid sequences. To bypass this complexity, the multifaceted phenomenon of fibril formation is reduced here to its most elementary principles defined for a linear prototype of fibril. Selected generic features, including nucleation, elongation, and conformational recruitment, are modeled using minimalist hypotheses and tools, by separating equilibrium from kinetic aspects and in vitro from in vivo conditions. These reductionist approaches allow to bring out known and new rudiments, including the kinetic and equilibrium effects of nucleation, the dual influence of elongation on nucleation, the kinetic limitations on nucleation and fibril numbers, and the accumulation of complexes in vivo by rescue from degradation. Overlooked aspects of these processes are also pointed: the exponential distribution of fibril lengths can be recovered using various models because it is attributable to randomness only. It is also suggested that the same term "critical concentration" is used for different things, involved in either nucleation or elongation. PMID:26801045
A Theoretical Model of Water and Trade
NASA Astrophysics Data System (ADS)
Dang, Qian; Zeng, Ruije; Ling, Xiaowen; Di Baldassarre, Giuliano; Konar, Megan
2014-05-01
Water is an essential factor of agricultural production. Agriculture, in turn, is globalized through the trade of food commodities. There is an extensive literature detailing the direct and local relationships between water and agricultural production. Here, we expand upon this important literature to understand how the globalized food economy interacts with water resources. In particular, we seek to understand the following questions: What is the impact of agricultural trade on water resources? How do water resources impact agricultural trade? Thus, we aim to explore the bidirectional feedbacks between water resources and food trade, using a socio-hydrologic framework. To do this, we develop a theoretical model of international trade that explicitly incorporates water resources.
Models in Educational Administration: Revisiting Willower's "Theoretically Oriented" Critique
ERIC Educational Resources Information Center
Newton, Paul; Burgess, David; Burns, David P.
2010-01-01
Three decades ago, Willower (1975) argued that much of what we take to be theory in educational administration is in fact only theoretically oriented. If we accept Willower's assessment of the field as true, what implications does this statement hold for the academic study and practical application of the theoretically oriented aspects of our…
Modeling aspects of the surface reconstruction problem
NASA Astrophysics Data System (ADS)
Toth, Charles K.; Melykuti, Gabor
1994-08-01
The ultimate goal of digital photogrammetry is to automatically produce digital maps which may in turn form the basis of GIS. Virtually all work in surface reconstruction deals with various kinds of approximations and constraints that are applied. In this paper we extend these concepts in various ways. For one, matching is performed in object space. Thus, matching and densification (modeling) is performed in the same reference system. Another extension concerns the solution of the second sub-problem. Rather than simply densifying (interpolating) the surface, we propose to model it. This combined top-down and bottom-up approach is performed in scale space, whereby the model is refined until compatibility between the data and expectations is reached. The paper focuses on the modeling aspects of the surface reconstruction problem. Obviously, the top-down and bottom-up model descriptions ought to be in a form which allows the generation and verification of hypotheses. Another crucial question is the degree of a priori scene knowledge necessary to constrain the solution space.
Information-Theoretic Perspectives on Geophysical Models
NASA Astrophysics Data System (ADS)
Nearing, Grey
2016-04-01
practice of science (except by Gong et al., 2013, whose fundamental insight is the basis for this talk), and here I offer two examples of practical methods that scientists might use to approximately measure ontological information. I place this practical discussion in the context of several recent and high-profile experiments that have found that simple out-of-sample statistical models typically (vastly) outperform our most sophisticated terrestrial hydrology models. I offer some perspective on several open questions about how to use these findings to improve our models and understanding of these systems. Cartwright, N. (1983) How the Laws of Physics Lie. New York, NY: Cambridge Univ Press. Clark, M. P., Kavetski, D. and Fenicia, F. (2011) 'Pursuing the method of multiple working hypotheses for hydrological modeling', Water Resources Research, 47(9). Cover, T. M. and Thomas, J. A. (1991) Elements of Information Theory. New York, NY: Wiley-Interscience. Cox, R. T. (1946) 'Probability, frequency and reasonable expectation', American Journal of Physics, 14, pp. 1-13. Csiszár, I. (1972) 'A Class of Measures of Informativity of Observation Channels', Periodica Mathematica Hungarica, 2(1), pp. 191-213. Davies, P. C. W. (1990) 'Why is the physical world so comprehensible', Complexity, entropy and the physics of information, pp. 61-70. Gong, W., Gupta, H. V., Yang, D., Sricharan, K. and Hero, A. O. (2013) 'Estimating Epistemic & Aleatory Uncertainties During Hydrologic Modeling: An Information Theoretic Approach', Water Resources Research, 49(4), pp. 2253-2273. Jaynes, E. T. (2003) Probability Theory: The Logic of Science. New York, NY: Cambridge University Press. Nearing, G. S. and Gupta, H. V. (2015) 'The quantity and quality of information in hydrologic models', Water Resources Research, 51(1), pp. 524-538. Popper, K. R. (2002) The Logic of Scientific Discovery. New York: Routledge. Van Horn, K. S. (2003) 'Constructing a logic of plausible inference: a guide to cox's theorem
Naturalness of unknown physics: Theoretical models and experimental signatures
NASA Astrophysics Data System (ADS)
Kilic, Can
In the last few decades collider experiments have not only spectacularly confirmed the predictions of the Standard Model but also have not revealed any direct evidence for new physics beyond the SM, which has led theorists to devise numerous models where the new physics couples weakly to the SM or is simply beyond the reach of past experiments. While phenomenologically viable, many such models appear finely tuned, even contrived. This work illustrates three attempts at coming up with explanations to fine-tunings we observe in the world around us, such as the gauge hierarchy problem or the cosmological constant problem, emphasizing both the theoretical aspects of model building as well as possible experimental signatures. First we investigate the "Little Higgs" mechanism and work on a specifical model, the "Minimal Moose" to highlight its impact on precision observables in the SM, and illustrate that it does not require implausible fine-tuning. Next we build a supersymmetric model, the "Fat Higgs", with an extended gauge structure which becomes confining. This model, aside from naturally preserving the unification of the SM gauge couplings at high energies, also makes it possible to evade the bounds on the lightest Higgs boson mass which are quite restrictive in minimal SUSY scenarios. Lastly we take a look at a possible resolution of the cosmological constant problem through the mechanism of "Ghost Condensation" and dwell on astrophysical observables from the Lorentz Violating sector in this model. We use current experimental data to constrain the coupling of this sector to the SM.
Theoretical and numerical aspects of fluid-saturated elasto-plastic soils
Ehlers, W.
1995-12-31
The theoretical and numerical treatment of fluid-saturated porous solid materials generally falls into the category of porous media models, which are described within the framework of the classical theory of mixtures extended by the concept of volume fractions (porous media theories). In particular, this concept allows for the description of saturated, unsaturated and empty porous matrix materials, thus offering a well-founded theoretical background for a lot of engineering problems occurring, for instance, in the fields of geomechanics (soil and rock mechanics as well as glacier and rock ice mechanics), oil producing industries, sintering technologies, biomechanics, etc. In the present contribution, theoretical and numerical studies are outlined to describe a two-phase material composed of an incompressible elasto-plastic soil matrix saturated by an incompressible viscous pore fluid. In this context, the phenomenon of phase incompressibility is well known as a microscopic effect not implying bulk incompressibility in the macro regime. This is seen from the fact that even if the material density functions of the individual constituents are constant during deformation, the corresponding bulk densities can still change through changes in the volume fractions. Within the framework of a pure mechanical theory, constitutive equations are given for both the solid and the fluid partial stress tensors and for the interaction force acting between the two materials. Concerning the porous soil matrix, the elastic properties are described by an elasticity law of Hookean type, while the plastic range is governed by a {open_quote}single surface{close_quote} yield function exhibiting a smooth and closed shape in the principal stress space together with a non-associated flow rule. The viscosity effects of the pore fluid are included in the fluid stress tensor and in the drag force.
A Review on the Wettability of Dental Implant Surfaces: Theoretical and Experimental Aspects
Rupp, Frank; Gittens, Rolando A.; Scheideler, Lutz; Marmur, Abraham; Boyan, Barbara D.; Schwartz, Zvi; Geis-Gerstorfer, Jürgen
2014-01-01
The surface wettability of biomaterials determines the biological cascade of events at the biomaterial/host interface. Wettability is modulated by surface characteristics, such as surface chemistry and surface topography. However, the design of current implant surfaces focuses mainly on specific micro- and nanotopographical features and is still far from predicting the concomitant wetting behavior. There is an increasing interest in understanding the wetting mechanisms of implant surfaces and the role of wettability on the biological response at the implant/bone or implant/soft tissue interface. Fundamental knowledge related to the influence of surface roughness (i.e., a quantification of surface topography) on titanium and titanium alloy surface wettability, and the different associated wetting regimes, can improve our understanding of the role of wettability of rough implant surfaces on the biological outcome. Such an approach has been applied to biomaterial surfaces only in a limited way. Focusing on titanium dental and orthopaedic implants, the present study reviews the current knowledge on the wettability of biomaterial surfaces, encompassing basic and applied aspects that include measurement techniques, thermodynamic aspects of wetting, and models predicting topographical and roughness effects on the wetting behavior. PMID:24590162
Assessing a Theoretical Model on EFL College Students
ERIC Educational Resources Information Center
Chang, Yu-Ping
2011-01-01
This study aimed to (1) integrate relevant language learning models and theories, (2) construct a theoretical model of college students' English learning performance, and (3) assess the model fit between empirically observed data and the theoretical model proposed by the researchers of this study. Subjects of this study were 1,129 Taiwanese EFL…
Theoretical aspects of fluoride air contaminant formation in aluminium smelter potrooms.
L'vov, Boris V; Polzik, Leonid K; Weinbruch, Stephan; Ellingsen, Dag G; Thomassen, Yngvar
2005-05-01
The amount of particulate fluorides evolved from aluminium electrolysis cells is not entirely accounted for by the fluorides entrained in the anode gas. The largest additional source of particulate fluoride formation is by direct evaporation of fluorides into the anode gas stream and subsequent condensation on the drops of electrolyte generated in the process of bubble burst. A theoretical model was used for the calculation of the main physical parameters responsible for the formation of particle nuclei when the hot anode-gas is mixed with ambient air. The results of these calculations are in agreement with experimental observations reported in the literature. In particular, the size distribution, composition and morphology of the nano-particles support the theory of a vapour condensation mechanism under conditions of extreme supersaturation, but further studies are necessary. PMID:15877162
Theoretical Models of Parental HIV Disclosure: A Critical Review
Qiao, Shan; Li, Xiaoming; Stanton, Bonita
2012-01-01
This review critically examined three major theoretical models related to parental HIV disclosure (i.e., the Four-Phase Model, the Disclosure Decision Making Model, and the Disclosure Process Model), and the existing studies that could provide empirical support to these models or their components. For each model, we briefly reviewed its theoretical background, described its components and or mechanisms, and discussed its strengths and limitations. The existing empirical studies supported most theoretical components in these models. However, hypotheses related to the mechanisms proposed in the models have not yet tested due to a lack of empirical evidence. This review also synthesized alternative theoretical perspectives and new issues in disclosure research and clinical practice that may challenge the existing models. The current review underscores the importance of including components related to social and cultural contexts in theoretical frameworks, and calls for more adequately designed empirical studies in order to test and refine existing theories and to develop new ones. PMID:22866903
Theoretical and observational aspects of convection generated internal atmospheric gravity waves
NASA Astrophysics Data System (ADS)
Thokuluwa, Ramkumar
2012-07-01
Even though atmospheric gravity waves generated from convection contributes significantly to the middle atmospheric circulation and momentum balances, yet they have to be fully parameterized in general circulation models. The major constraint comes because of inadequacies in the exact measurement of four dimensional (including time) latent heating of the atmosphere occurring through condensation of water vapor. Satellite like TRMM measures the latent heating of the atmosphere but it is sparse in nature (both spatial and time) because of the continual shift in the azimuths of orbital plane of the satellite about the earth. Doppler weather radar is a good alternative in this sense but the poor signal to noise ratio of echoes with distance from the center of the radar and other simpler assumptions employed in deriving the latent heating, through using empirical relationship between the radar echoes and rain drop size distribution, rain rate and other precipitation characteristics, makes the estimation of latent heating of the atmospheric highly ambiguous. In such cases, it is essential to make comparative studies between theoretically estimated and observationally made convection generated gravity waves in the process of parameterizing the gravity waves. Here we report the theoretically estimated spectral characteristics of convection generated gravity waves and their comparison with observations made using Doppler weather radar (DWR) and MST radar (VHF, 53 MHz), which are located in the eastern coast of Southern India adjacent to the Bay of Bengal where tropical cyclones are forming. The determined latent heating of the atmosphere, using the DWR measurements, will be compared to that determined by the TRMM and other satellites. This determined heating will be utilized as inputs for the thermodynamics equations of high frequency gravity waves, the propagating nature of which can be determined using the MST radar at NARL, Gadanki. As this radar can give wind
Theoretical Models and QSRR in Retention Modeling of Eight Aminopyridines.
Tumpa, Anja; Kalinić, Marko; Jovanović, Predrag; Erić, Slavica; Rakić, Tijana; Jančić-Stojanović, Biljana; Medenica, Mirjana
2016-03-01
In this article, retention modeling of eight aminopyridines (synthesized and characterized at the Faculty of Pharmacy) in reversed-phase high performance liquid chromatography (RP-HPLC) was performed. No data related to their retention in the RP-HPLC system were found. Knowing that, it was recognized as very important to describe their retention behavior. The influences of pH of the mobile phase and the organic modifier content on the retention factors were investigated. Two theoretical models for the dependence of retention factor of organic modifier content were tested. Then, the most reliable and accurate prediction of log k was created, testing multiple linear regression model-quantitative structure-retention relationships (MLR-QSRR) and support vector regression machine-quantitative structure-retention relationships (SVM-QSRR). Initially, 400 descriptors were calculated, but four of them (POM, log D, M-SZX/RZX and m-RPCG) were included in the models. SVM-QSRR performed significantly better than the MLR model. Apart from aminopyridines, four structurally similar substances (indapamide, gliclazide, sulfamethoxazole and furosemide) were followed in the same chromatographic system. They were used as external validation set for the QSRR model (it performed well within its applicability domain, which was defined using a bounding box approach). After having described retention of eight aminopyridines with both theoretical and QSRR models, further investigations in this field can be conducted. PMID:26590237
Theoretical Counseling Orientation: An Initial Aspect of Professional Orientation and Identity
ERIC Educational Resources Information Center
Jackson, James Lloyd, Jr.
2010-01-01
The literature on counselor development suggests that the development of a professional identity is a fundamental aspect of counselor training. The unique demands placed on counselors to integrate aspects of both personal and professional identity into the therapeutic process (Skovholt & Ronnestad, 1995) make development of a professional identity…
NASA Astrophysics Data System (ADS)
Laachi, Nabil; Iwama, Tatsuhiro; Delaney, Kris T.; Kim, Bongkeun; Bristol, Robert; Shykind, David; Weinheimer, Corey J.; Fredrickson, Glenn H.
2014-03-01
We have investigated the directed self-assembly (DSA) of cylinder-forming block copolymers inside cylindrical guiding templates. To complement and corroborate our experimental study, we use field-theoretic simulations to examine the fluctuations-induced variations in the size and position of the cylindrical microdomain that forms in the middle of the guiding hole. Our study goes beyond the usual mean-field approximation and self-consistent field theory simulations (SCFT) and incorporates the effects of thermal fluctuations in the description of the self-assembly process using complex Langevin (CL) dynamics. In both our experimental and modeling efforts, we focus on minor-block-attractive sidewalls and bottom substrates and neutral top surfaces and explore the properties of the formed cylinders, including fluctuations in the center position and the size of the domain, for various prepattern conditions. Our results indicate robust critical dimensions (CD) of the DSA cylinders relative to the incoming CD, with a sigma CD < 0.9nm. Likewise, we find that the DSA cylinders are accurately registered in the center of the guiding hole, with deviations in the hole-inhole distance on the order of ≍ 0.7-1nm, translating to errors in the hole-to-hole distance of ≍ 1-1.5nm.
Aspects of Particle Physics Beyond the Standard Model
NASA Astrophysics Data System (ADS)
Lu, Xiaochuan
This dissertation describes a few aspects of particles beyond the Standard Model, with a focus on the remaining questions after the discovery of a Standard Model-like Higgs boson. In specific, three topics are discussed in sequence: neutrino mass and baryon asymmetry, naturalness problem of Higgs mass, and placing constraints on theoretical models from precision measurements. First, the consequence of the neutrino mass anarchy on cosmology is studied. Attentions are paid in particular to the total mass of neutrinos and baryon asymmetry through leptogenesis. With the assumption of independence among mass matrix entries in addition to the basis independence, Gaussian measure is the only choice. On top of Gaussian measure, a simple approximate U(1) flavor symmetry makes leptogenesis highly successful. Correlations between the baryon asymmetry and the light-neutrino quantities are investigated. Also discussed are possible implications of recently suggested large total mass of neutrinos by the SDSS/BOSS data. Second, the Higgs mass implies fine-tuning for minimal theories of weak-scale supersymmetry (SUSY). Non-decoupling effects can boost the Higgs mass when new states interact with the Higgs, but new sources of SUSY breaking that accompany such extensions threaten naturalness. I will show that two singlets with a Dirac mass can increase the Higgs mass while maintaining naturalness in the presence of large SUSY breaking in the singlet sector. The modified Higgs phenomenology of this scenario, termed "Dirac NMSSM", is also studied. Finally, the sensitivities of future precision measurements in probing physics beyond the Standard Model are studied. A practical three-step procedure is presented for using the Standard Model effective field theory (SM EFT) to connect ultraviolet (UV) models of new physics with weak scale precision observables. With this procedure, one can interpret precision measurements as constraints on the UV model concerned. A detailed explanation is
Posttraumatic Stress Disorder: A Theoretical Model of the Hyperarousal Subtype
Weston, Charles Stewart E.
2014-01-01
Posttraumatic stress disorder (PTSD) is a frequent and distressing mental disorder, about which much remains to be learned. It is a heterogeneous disorder; the hyperarousal subtype (about 70% of occurrences and simply termed PTSD in this paper) is the topic of this article, but the dissociative subtype (about 30% of occurrences and likely involving quite different brain mechanisms) is outside its scope. A theoretical model is presented that integrates neuroscience data on diverse brain regions known to be involved in PTSD, and extensive psychiatric findings on the disorder. Specifically, the amygdala is a multifunctional brain region that is crucial to PTSD, and processes peritraumatic hyperarousal on grounded cognition principles to produce hyperarousal symptoms. Amygdala activity also modulates hippocampal function, which is supported by a large body of evidence, and likewise amygdala activity modulates several brainstem regions, visual cortex, rostral anterior cingulate cortex (rACC), and medial orbitofrontal cortex (mOFC), to produce diverse startle, visual, memory, numbing, anger, and recklessness symptoms. Additional brain regions process other aspects of peritraumatic responses to produce further symptoms. These contentions are supported by neuroimaging, neuropsychological, neuroanatomical, physiological, cognitive, and behavioral evidence. Collectively, the model offers an account of how responses at the time of trauma are transformed into an extensive array of the 20 PTSD symptoms that are specified in the Diagnostic and Statistical Manual of Mental Disorders, Fifth edition. It elucidates the neural mechanisms of a specific form of psychopathology, and accords with the Research Domain Criteria framework. PMID:24772094
Empathy and Child Neglect: A Theoretical Model
ERIC Educational Resources Information Center
De Paul, Joaquin; Guibert, Maria
2008-01-01
Objective: To present an explanatory theory-based model of child neglect. This model does not address neglectful behaviors of parents with mental retardation, alcohol or drug abuse, or severe mental health problems. In this model parental behavior aimed to satisfy a child's need is considered a helping behavior and, as a consequence, child neglect…
A theoretical model to study melting of metals under pressure
NASA Astrophysics Data System (ADS)
Kholiya, Kuldeep; Chandra, Jeewan
2015-10-01
On the basis of the thermal equation-of-state a simple theoretical model is developed to study the pressure dependence of melting temperature. The model is then applied to compute the high pressure melting curve of 10 metals (Cu, Mg, Pb, Al, In, Cd, Zn, Au, Ag and Mn). It is found that the melting temperature is not linear with pressure and the slope dTm/dP of the melting curve decreases continuously with the increase in pressure. The results obtained with the present model are also compared with the previous theoretical and experimental data. A good agreement between theoretical and experimental result supports the validity of the present model.
Information-Theoretic Perspectives on Geophysical Models
NASA Astrophysics Data System (ADS)
Nearing, Grey
2016-04-01
To test any hypothesis about any dynamic system, it is necessary to build a model that places that hypothesis into the context of everything else that we know about the system: initial and boundary conditions and interactions between various governing processes (Hempel and Oppenheim, 1948, Cartwright, 1983). No hypothesis can be tested in isolation, and no hypothesis can be tested without a model (for a geoscience-related discussion see Clark et al., 2011). Science is (currently) fundamentally reductionist in the sense that we seek some small set of governing principles that can explain all phenomena in the universe, and such laws are ontological in the sense that they describe the object under investigation (Davies, 1990 gives several competing perspectives on this claim). However, since we cannot build perfect models of complex systems, any model that does not also contain an epistemological component (i.e., a statement, like a probability distribution, that refers directly to the quality of of the information from the model) is falsified immediately (in the sense of Popper, 2002) given only a small number of observations. Models necessarily contain both ontological and epistemological components, and what this means is that the purpose of any robust scientific method is to measure the amount and quality of information provided by models. I believe that any viable philosophy of science must be reducible to this statement. The first step toward a unified theory of scientific models (and therefore a complete philosophy of science) is a quantitative language that applies to both ontological and epistemological questions. Information theory is one such language: Cox' (1946) theorem (see Van Horn, 2003) tells us that probability theory is the (only) calculus that is consistent with Classical Logic (Jaynes, 2003; chapter 1), and information theory is simply the integration of convex transforms of probability ratios (integration reduces density functions to scalar
Theoretical Modeling of Amphiphilic Self-Assembly
NASA Astrophysics Data System (ADS)
Gunn, John Robert
1992-01-01
Mixtures of oil, water, and surfactant exhibit a number of complex phases and interesting properties. In an effort to provide a detailed statistical mechanical understanding of these systems, the following models have been developed. A microscopic model of lyotropic systems is presented in which amphiphile and water molecules are described by simple intermolecular potentials which correctly include important excluded volume effects and the relative energy scales in the system. A constant-temperature molecular dynamics study in which the divergence of the pressure tensor is constrained to zero is discussed. Preliminary calculations on the order parameters and dynamical observables of the model are reported. To explore the phase diagram further, a three -component lattice model with unit-vector orientations at the lattice sites is introduced. The model describes ternary mixtures of oil, water, and amphiphile, and in particular the microemulsion phase. The phase diagram of the model is derived using mean-field theory and simulation. It is shown that the results of Monte Carlo simulations of sufficiently large systems show remarkable agreement with experiment. In particular, the present model reproduces the mesoscopic order of the microemulsion phase. The structure of the microemulsion is understood in terms of the liquid -crystalline phases adjacent to it on the phase diagram, and the nature of the phase transitions that occur between them. The behaviour of the system when the ratio of oil to water is changed is investigated and the percolation threshold is described. The amphiphilic film is also discussed in the context of a simple surface model. We then present an algorithm for carrying out time-dependent canonical Monte Carlo simulations using this model. Sample calculations are carried out for the 2-dimensional Ising model for which the exact partition function is known. Our method reproduces the results of standard Monte Carlo simulations with comparable accuracy
THEORETICAL BASIS FOR MODELING ELEMENT CYCLING
A biophysical basis for modeling element cycling is described. The scheme consists of element cycles, organisms necessary to completely catalyze all the component reactions, and higher organisms as structurally complex systems and as subsystems of more complex ecosystems, all to ...
Electrochemical phase formation: classical and atomistic theoretical models.
Milchev, Alexander
2016-08-01
The process of electrochemical phase formation at constant thermodynamic supersaturation is considered in terms of classical and atomistic nucleation theories. General theoretical expressions are derived for important thermodynamic and kinetic quantities commenting also upon the correlation between the existing theoretical models and experimental results. Progressive and instantaneous nucleation and growth of multiple clusters of the new phase are briefly considered, too. PMID:27108683
Theoretical outdoor noise propagation models: Application to practical predictions
NASA Astrophysics Data System (ADS)
Tuominen, H. T.; Lahti, T.
1982-02-01
The theoretical calculation approaches for outdoor noise propagation are reviewed. Possibilities for their application to practical engineering calculations are outlined. A calculation procedure, which is a combination and extension of several theoretical models, is described. Calculation examples are compared with the results of some propagation studies.
A Theoretical Framework for Physics Education Research: Modeling Student Thinking
ERIC Educational Resources Information Center
Redish, Edward F.
2004-01-01
Education is a goal-oriented field. But if we want to treat education scientifically so we can accumulate, evaluate, and refine what we learn, then we must develop a theoretical framework that is strongly rooted in objective observations and through which different theoretical models of student thinking can be compared. Much that is known in the…
Experiments to test theoretical models of the polarization of light by rough surfaces
NASA Technical Reports Server (NTRS)
Geake, J. E.; Geake, M.; Zellner, B. H.
1984-01-01
A number of attempts have been made to provide theoretical models of the physical processes involved in the polarization of light scattered by a rough surface, such as the regolith of an atmosphereless planet. Some laboratory experiments designed to test different aspects of these models are described. It is concluded that double Fresnel reflection is usually the dominant process in producing negative polarization, but that diffraction effects may play a significant part in double events involving small-scale surface features.
A theoretical model for airborne radars
NASA Astrophysics Data System (ADS)
Faubert, D.
1989-11-01
This work describes a general theory for the simulation of airborne (or spaceborne) radars. It can simulate many types of systems including Airborne Intercept and Airborne Early Warning radars, airborne missile approach warning systems etc. It computes the average Signal-to-Noise ratio at the output of the signal processor. In this manner, one obtains the average performance of the radar without having to use Monte Carlo techniques. The model has provision for a waveform without frequency modulation and one with linear frequency modulation. The waveform may also have frequency hopping for Electronic Counter Measures or for clutter suppression. The model can accommodate any type of encounter including air-to-air, air-to-ground (look-down) and rear attacks. It can simulate systems with multiple phase centers on receive for studying advanced clutter or jamming interference suppression techniques. An Airborne Intercept radar is investigated to demonstrate the validity and the capability of the model.
Theoretical models of synaptic short term plasticity
Hennig, Matthias H.
2013-01-01
Short term plasticity is a highly abundant form of rapid, activity-dependent modulation of synaptic efficacy. A shared set of mechanisms can cause both depression and enhancement of the postsynaptic response at different synapses, with important consequences for information processing. Mathematical models have been extensively used to study the mechanisms and roles of short term plasticity. This review provides an overview of existing models and their biological basis, and of their main properties. Special attention will be given to slow processes such as calcium channel inactivation and the effect of activation of presynaptic autoreceptors. PMID:23626536
Theoretical Model for Nanoporous Carbon Supercapacitors
Sumpter, Bobby G; Meunier, Vincent; Huang, Jingsong
2008-01-01
The unprecedented anomalous increase in capacitance of nanoporous carbon supercapacitors at pore sizes smaller than 1 nm [Science 2006, 313, 1760.] challenges the long-held presumption that pores smaller than the size of solvated electrolyte ions do not contribute to energy storage. We propose a heuristic model to replace the commonly used model for an electric double-layer capacitor (EDLC) on the basis of an electric double-cylinder capacitor (EDCC) for mesopores (2 {50 nm pore size), which becomes an electric wire-in-cylinder capacitor (EWCC) for micropores (< 2 nm pore size). Our analysis of the available experimental data in the micropore regime is confirmed by 1st principles density functional theory calculations and reveals significant curvature effects for carbon capacitance. The EDCC (and/or EWCC) model allows the supercapacitor properties to be correlated with pore size, specific surface area, Debye length, electrolyte concentration and dielectric constant, and solute ion size. The new model not only explains the experimental data, but also offers a practical direction for the optimization of the properties of carbon supercapacitors through experiments.
NASA Technical Reports Server (NTRS)
Szczepanski, Jan; Vala, Martin; Talbi, Dahbia; Parisel, Olivier; Ellinger, Yves
1993-01-01
The IR vibrational and visible/UV electronic absorption spectra of the anthracene cation, An(+), were studied experimentally, in argon matrices at 12 K, as well as theoretically, using ab initio calculations for the vibrational modes and enhanced semiempirical methods with configuration interaction for the electronic spectra. It was found that both approaches predicted well the observed photoelectron spectrum. The theoretical IR intensities showed some remarkable differences between neutral and ionized species (for example, the CH in-plane bending modes and CC in-plane stretching vibrations were predicted to increase by several orders of magnitude upon ionization). Likewise, estimated experimental IR intensities showed a significant increase in the cation band intensities over the neutrals. The implication of these findings for the hypothesis that polycyclic aromatic hydrocarbon cations are responsible for the unidentified IR emission bands from interstellar space is discussed.
Petrini, Carlo
2015-01-01
The "Framework for the Ethical Conduct of Public Health Initiatives", developed by Public Health Ontario, is a practical guide for assessing the ethical implications of evidence-generating public health initiatives, whether research or non-research activities, involving people, their biological materials or their personal information. The Framework is useful not only to those responsible for determining the ethical acceptability of an initiative, but also to investigators planning new public health initiatives. It is informed by a theoretical approach that draws on widely shared bioethical principles. Two considerations emerge from both the theoretical framework and its practical application: the line between practice and research is often blurred; public health ethics and biomedical research ethics are based on the same common heritage of values. PMID:26241514
Theoretical Tinnitus Framework: A Neurofunctional Model
Ghodratitoostani, Iman; Zana, Yossi; Delbem, Alexandre C. B.; Sani, Siamak S.; Ekhtiari, Hamed; Sanchez, Tanit G.
2016-01-01
Subjective tinnitus is the conscious (attended) awareness perception of sound in the absence of an external source and can be classified as an auditory phantom perception. Earlier literature establishes three distinct states of conscious perception as unattended, attended, and attended awareness conscious perception. The current tinnitus development models depend on the role of external events congruently paired with the causal physical events that precipitate the phantom perception. We propose a novel Neurofunctional Tinnitus Model to indicate that the conscious (attended) awareness perception of phantom sound is essential in activating the cognitive-emotional value. The cognitive-emotional value plays a crucial role in governing attention allocation as well as developing annoyance within tinnitus clinical distress. Structurally, the Neurofunctional Tinnitus Model includes the peripheral auditory system, the thalamus, the limbic system, brainstem, basal ganglia, striatum, and the auditory along with prefrontal cortices. Functionally, we assume the model includes presence of continuous or intermittent abnormal signals at the peripheral auditory system or midbrain auditory paths. Depending on the availability of attentional resources, the signals may or may not be perceived. The cognitive valuation process strengthens the lateral-inhibition and noise canceling mechanisms in the mid-brain, which leads to the cessation of sound perception and renders the signal evaluation irrelevant. However, the “sourceless” sound is eventually perceived and can be cognitively interpreted as suspicious or an indication of a disease in which the cortical top-down processes weaken the noise canceling effects. This results in an increase in cognitive and emotional negative reactions such as depression and anxiety. The negative or positive cognitive-emotional feedbacks within the top-down approach may have no relation to the previous experience of the patients. They can also be
Theoretical Tinnitus Framework: A Neurofunctional Model.
Ghodratitoostani, Iman; Zana, Yossi; Delbem, Alexandre C B; Sani, Siamak S; Ekhtiari, Hamed; Sanchez, Tanit G
2016-01-01
Subjective tinnitus is the conscious (attended) awareness perception of sound in the absence of an external source and can be classified as an auditory phantom perception. Earlier literature establishes three distinct states of conscious perception as unattended, attended, and attended awareness conscious perception. The current tinnitus development models depend on the role of external events congruently paired with the causal physical events that precipitate the phantom perception. We propose a novel Neurofunctional Tinnitus Model to indicate that the conscious (attended) awareness perception of phantom sound is essential in activating the cognitive-emotional value. The cognitive-emotional value plays a crucial role in governing attention allocation as well as developing annoyance within tinnitus clinical distress. Structurally, the Neurofunctional Tinnitus Model includes the peripheral auditory system, the thalamus, the limbic system, brainstem, basal ganglia, striatum, and the auditory along with prefrontal cortices. Functionally, we assume the model includes presence of continuous or intermittent abnormal signals at the peripheral auditory system or midbrain auditory paths. Depending on the availability of attentional resources, the signals may or may not be perceived. The cognitive valuation process strengthens the lateral-inhibition and noise canceling mechanisms in the mid-brain, which leads to the cessation of sound perception and renders the signal evaluation irrelevant. However, the "sourceless" sound is eventually perceived and can be cognitively interpreted as suspicious or an indication of a disease in which the cortical top-down processes weaken the noise canceling effects. This results in an increase in cognitive and emotional negative reactions such as depression and anxiety. The negative or positive cognitive-emotional feedbacks within the top-down approach may have no relation to the previous experience of the patients. They can also be
Theoretical models of possible compact nucleosome structures.
Besker, Neva; Anselmi, Claudio; De Santis, Pasquale
2005-04-01
Chromatin structure seems related to the DNA linker length. This paper presents a systematic search of the possible chromatin structure as a function of the linker lengths, starting from three different low-resolution molecular models of the nucleosome. Gay-Berne potential was used to evaluate the relative nucleosome packing energy. Results suggest that linker DNAs, which bridges and orientate nucleosomes, affect both the geometry and the rigidity of the global chromatin structure. PMID:15752596
A theoretical model for whole genome alignment.
Belal, Nahla A; Heath, Lenwood S
2011-05-01
We present a graph-based model for representing two aligned genomic sequences. An alignment graph is a mixed graph consisting of two sets of vertices, each representing one of the input sequences, and three sets of edges. These edges allow the model to represent a number of evolutionary events. This model is used to perform sequence alignment at the level of nucleotides. We define a scoring function for alignment graphs. We show that minimizing the score is NP-complete. However, we present a dynamic programming algorithm that solves the minimization problem optimally for a certain class of alignments, called breakable arrangements. Algorithms for analyzing breakable arrangements are presented. We also present a greedy algorithm that is capable of representing reversals. We present a dynamic programming algorithm that optimally aligns two genomic sequences, when one of the input sequences is a breakable arrangement of the other. Comparing what we define as breakable arrangements to alignments generated by other algorithms, it is seen that many already aligned genomes fall into the category of being breakable. Moreover, the greedy algorithm is shown to represent reversals, besides rearrangements, mutations, and other evolutionary events. PMID:21210739
Theoretical and Computational Aspects of the Magnetic Confinement of Particles and Plasmas
NASA Astrophysics Data System (ADS)
Mehanian, Courosh
1987-09-01
This thesis covers various aspects of the magnetic confinement of particles and plasmas. It is composed of two separate problems which deal with two extreme limits of temperature. In the first problem, the setting is a device that is a candidate for a fusion reactor and thus represents a collection of ionized atoms at a very high temperature. The second problem concerns the magnetic confinement of a neutral hydrogen gas at a temperature low enough that a Bose-Einstein condensation occurs. The tilt stabilization of a spheromak by an energetic particle ring is analyzed. A comprehensive survey is made of numerically generated, hybrid equilibria which describe spheromak plasmas with an energetic ion ring component. Unlike the analytic treatments, neither the ion ring toroidal current nor the inverse aspect ration are required to be small. The tilt stability of the plasma is determined by calculating the torque due to the magnetic interaction with the ion-ring, assumed fixed. The tilt stability of the ring is determined by calculating the betatron frequencies of the ring particles. Bicycle-tire rings, since they flatten the separatix axially, provide the most stabilization of the plasma per unit ion ring current. On the other hand, axially elongated, toilet-paper-tube rings are themselves the most stable. These opposing trends indicate that the configuration with optimal stability is achieved near an ion ring aspect ratio of unity and for roughly equal plasma and fast particle currents. The confinement of an atomic hydrogen gas in the trap formed by a time-varying magnetic field is investigated. The trap uses the interaction of the magnetic field with the magnetic moments of the atoms, which are kept aligned by a strong uniform field. The effect of collisions is included via a Monte Carlo algorithm and it is found that the atoms can be confined when the frequency and the current of the coils producing the time-varying field are appropriately chosen.
Theoretical model for plasma opening switch
Baker, L.
1980-07-01
The theory of an explosive plasma switch is developed and compared with the experimental results of Pavlovskii and work at Sandia. A simple analytic model is developed, which predicts that such switches may achieve opening times of approximately 100 ns. When the switching time is limited by channel mixing it scales as t = C(m d/sub 0/)/sup 1/2/P/sub 0//sup 2/P/sub e//sup -5/2/ where m is the foil mass per unit area, d/sub 0/ the channel thickness and P/sub 0/ the channel pressure (at explosive breakout), P/sub e/ the explosive pressure, C a constant of order 10 for c.g.s. units. Thus faster switching times may be achieved by minimizing foil mass and channel pressure, or increasing explosive product pressure, with the scaling exponents as shown suggesting that changes in pressures would be more effective.
Theoretical modelling of epigenetically modified DNA sequences.
Carvalho, Alexandra Teresa Pires; Gouveia, Maria Leonor; Raju Kanna, Charan; Wärmländer, Sebastian K T S; Platts, Jamie; Kamerlin, Shina Caroline Lynn
2015-01-01
We report herein a set of calculations designed to examine the effects of epigenetic modifications on the structure of DNA. The incorporation of methyl, hydroxymethyl, formyl and carboxy substituents at the 5-position of cytosine is shown to hardly affect the geometry of CG base pairs, but to result in rather larger changes to hydrogen-bond and stacking binding energies, as predicted by dispersion-corrected density functional theory (DFT) methods. The same modifications within double-stranded GCG and ACA trimers exhibit rather larger structural effects, when including the sugar-phosphate backbone as well as sodium counterions and implicit aqueous solvation. In particular, changes are observed in the buckle and propeller angles within base pairs and the slide and roll values of base pair steps, but these leave the overall helical shape of DNA essentially intact. The structures so obtained are useful as a benchmark of faster methods, including molecular mechanics (MM) and hybrid quantum mechanics/molecular mechanics (QM/MM) methods. We show that previously developed MM parameters satisfactorily reproduce the trimer structures, as do QM/MM calculations which treat bases with dispersion-corrected DFT and the sugar-phosphate backbone with AMBER. The latter are improved by inclusion of all six bases in the QM region, since a truncated model including only the central CG base pair in the QM region is considerably further from the DFT structure. This QM/MM method is then applied to a set of double-stranded DNA heptamers derived from a recent X-ray crystallographic study, whose size puts a DFT study beyond our current computational resources. These data show that still larger structural changes are observed than in base pairs or trimers, leading us to conclude that it is important to model epigenetic modifications within realistic molecular contexts. PMID:26448859
Theoretical aspects of light-element alloys under extremely high pressure
NASA Astrophysics Data System (ADS)
Feng, Ji
In this Dissertation, we present theoretical studies on the geometric and electronic structure of light-element alloys under high pressure. The first three Chapters are concerned with specific compounds, namely, SiH 4, CaLi2 and BexLi1- x, and associated structural and electronic phenomena, arising in our computational studies. In the fourth Chapter, we attempt to develop a unified view of the relationship between the electronic and geometric structure of light-element alloys under pressure, by focusing on the states near the Fermi level in these metals.
Electronic structure of Ni2TiAl: Theoretical aspects and Compton scattering measurement
NASA Astrophysics Data System (ADS)
Sahariya, Jagrati; Ahuja, B. L.
2012-11-01
In this paper, we report electron momentum density of Ni2TiAl alloy using an in-house 20 Ci 137Cs (661.65 keV) Compton spectrometer. The experimental data have been analyzed in terms of energy bands and density of states computed using linear combination of atomic orbitals (LCAO) method. In the LCAO computations, we have considered local density approximation, generalized gradient approximation and recently developed second order generalized gradient approximation within the frame work of density functional theory. Anisotropies in theoretical Compton profiles along [1 0 0], [1 1 0] and [1 1 1] directions are also explained in terms of energy bands.
Aspects of model selection in multivariate analyses
Picard, R.
1982-01-01
Analysis of data sets that involve large numbers of variables usually entails some type of model fitting and data reduction. In regression problems, a fitted model that is obtained by a selection process can be difficult to evaluate because of optimism induced by the choice mechanism. Problems in areas such as discriminant analysis, calibration, and the like often lead to similar difficulties. The preceeding sections reviewed some of the general ideas behind assessment of regression-type predictors and illustrated how they can be easily incorporated into a standard data analysis.
NASA Astrophysics Data System (ADS)
Nguyen, Lu Trong Khiem
2016-07-01
A finite difference formula based on the predictor-corrector technique is presented to integrate the cylindrically and spherically symmetric sine-Gordon equations numerically. Based on various numerical observations, one property of the waves of kink type is conjectured and used to explain their returning effect. Several numerical experiments are carried out and they are in excellent agreement with the existing results. In addition, the corresponding modulation solution for the two-dimensional ring-shaped kink is extended to that in three-dimension. Both numerical and theoretical aspects are utilized to verify the reliability of the proposed numerical scheme and thus the analytical modulation solutions.
Neighbor intervention: a game-theoretic model.
Mesterton-Gibbons, Mike; Sherratt, Tom N
2009-01-21
It has long been argued that a resident may benefit from helping its neighbor defend a territory against a challenger to avoid renegotiating its boundaries with a new and potentially stronger individual. We quantify this theory by exploring games involving challengers, residents and potential allies. In a simplified discrete game with zero variation of fighting strength, helping neighbors is part of an evolutionarily stable strategy (ESS) only if fighting costs are low relative to those of renegotiation. However, if relative fighting costs are high then an interventional ESS remains possible with finite variation of strength. Under these conditions, neighbors may help residents fight off intruders, but only when the resident does not stand a reliable chance of winning alone. We show that neighbor intervention is more likely with low home advantage to occupying a territory, strengths combining synergistically or low probability that an ally will be usurped, amongst other factors. Our parameterized model readily explains occasional intervention in the Australian fiddler crab, including why the ally tended to be larger than both the assisted neighbor and the intruder. Reciprocity is not necessary for this type of cooperation to persist, but also it is by no means inevitable in territorial species. PMID:18977365
A theoretical model of asymmetric wave ripples
Blondeaux, P.; Foti, E.; Vittori, G.
2015-01-01
The time development of ripples under sea waves is investigated by means of the weakly nonlinear stability analysis of a flat sandy bottom subjected to the viscous oscillatory flow that is present in the boundary layer at the bottom of propagating sea waves. Second-order effects in the wave steepness are considered, to take into account the presence of the steady drift generated by the surface waves. Hence, the work of Vittori & Blondeaux (1990 J. Fluid Mech. 218, 19–39 (doi:10.1017/S002211209000091X)) is extended by considering steeper waves and/or less deep waters. As shown by the linear analysis of Blondeaux et al. (2000 Eur. J. Mech. B 19, 285–301 (doi:10.1016/S0997-7546(90)00106-I)), because of the presence of a steady velocity component in the direction of wave propagation, ripples migrate at a constant rate that depends on sediment and wave characteristics. The weakly nonlinear analysis shows that the ripple profile is no longer symmetric with respect to ripple crests and troughs and the symmetry index is computed as a function of the parameters of the problem. In particular, a relationship is determined between the symmetry index and the strength of the steady drift. A fair agreement between model results and laboratory data is obtained, albeit further data and analyses are necessary to determine the behaviour of vortex ripples and to be conclusive. PMID:25512587
A theoretical model of asymmetric wave ripples.
Blondeaux, P; Foti, E; Vittori, G
2015-01-28
The time development of ripples under sea waves is investigated by means of the weakly nonlinear stability analysis of a flat sandy bottom subjected to the viscous oscillatory flow that is present in the boundary layer at the bottom of propagating sea waves. Second-order effects in the wave steepness are considered, to take into account the presence of the steady drift generated by the surface waves. Hence, the work of Vittori & Blondeaux (1990 J. Fluid Mech. 218, 19-39 (doi:10.1017/S002211209000091X)) is extended by considering steeper waves and/or less deep waters. As shown by the linear analysis of Blondeaux et al. (2000 Eur. J. Mech. B 19, 285-301 (doi:10.1016/S0997-7546(90)00106-I)), because of the presence of a steady velocity component in the direction of wave propagation, ripples migrate at a constant rate that depends on sediment and wave characteristics. The weakly nonlinear analysis shows that the ripple profile is no longer symmetric with respect to ripple crests and troughs and the symmetry index is computed as a function of the parameters of the problem. In particular, a relationship is determined between the symmetry index and the strength of the steady drift. A fair agreement between model results and laboratory data is obtained, albeit further data and analyses are necessary to determine the behaviour of vortex ripples and to be conclusive. PMID:25512587
Theoretical and numerical modelling of shocks in dusty plasmas
Eliasson, B.; Shukla, P.K.
2005-10-31
The formation of dust acoustic (DA) and dust ion-acoustic (DIA) shocks are are studied theoretically and numerically by means of simple-wave solutions and a comparison between fluid and kinetic model for DIA waves. A fluid model admits sharp discontinuities at the shock front while the kinetic model involves Landau-damping of the the shock front.
The Psychopathological Model of Mental Retardation: Theoretical and Therapeutic Considerations.
ERIC Educational Resources Information Center
La Malfa, Giampaolo; Campigli, Marco; Bertelli, Marco; Mangiapane, Antonio; Cabras, Pier Luigi
1997-01-01
Describes a new integrated bio-psycho-social model of etiology for mental retardation. Discusses the problems with current models and the ability of the "universe line" model to integrate data from different research areas, especially cognitive and psychopathologic indicators. Addresses implications of this theoretical approach. (Author/CR)
Dynamics in Higher Education Politics: A Theoretical Model
ERIC Educational Resources Information Center
Kauko, Jaakko
2013-01-01
This article presents a model for analysing dynamics in higher education politics (DHEP). Theoretically the model draws on the conceptual history of political contingency, agenda-setting theories and previous research on higher education dynamics. According to the model, socio-historical complexity can best be analysed along two dimensions: the…
Opposition Surge: Lab Studies and Theoretical Models
NASA Astrophysics Data System (ADS)
Nelson, R. M.; Hapke, B. W.; Smythe, W. D.; Hale, A. S.; Piatek, J. L.; Green, J.
The opposition effect, a non-linear intensity increase in the reflectance phase curve with decreasing phase angle, has long been observed in solar system bodies and in laboratory investigations of the angular scattering properties of particulate media[1]. It has been attributed to two processes. One, shadow hiding, is the elimination of shadows mutually cast between the regolith grains as the phase angle decreases[2]. The other is coherent constructive interference between rays of light traveling along identical but opposite paths in multiply scattering media (CBOE). [3,4,5,6]. We report the results of an investigation into the opposition surge of particulate materials of the same particle size and packing density but of differing reflectance. The measurements were made on the long arm goniometer at JPL. The phase angle studied varied from 0.05 to 5o. Samples of Al2O3, diamond, Si4C, and B4C were presented with linearly and circularly polarized light from a laser of wavelength 0.633 µm. The uncompressed, 22-24 µm samples differed widely in reflectance. Many published models of CBOE suggest that as the materials become more absorbing the shape of the phase curve should become more rounded near 0o [7,8 9, 10, 11,12,13]. We find that, regardless of reflectance, the phase curve exhibits increasing slope with decreasing phase angle down to the angular limit of our measurement. It becomes more sharply peaked and does not become rounded. Our measurements of powdered materials, including lunar regolith samples[14,15,16], do not agree with current models of coherent backscatter, which predict a rounding and truncation of the opposition effect peak near zero phase. This lack of rounding is consistent with the hypothesis that very long light paths contribute to the CBOE of particulate materials including planetary regoliths. This work was performed at NASA's JPL under a grant from NASA's Planetary Geology / Geophysics program. References: [1] T. Gehrels, Astrrophys. J. 123
Computational Aspects of N-Mixture Models
Dennis, Emily B; Morgan, Byron JT; Ridout, Martin S
2015-01-01
The N-mixture model is widely used to estimate the abundance of a population in the presence of unknown detection probability from only a set of counts subject to spatial and temporal replication (Royle, 2004, Biometrics 60, 105–115). We explain and exploit the equivalence of N-mixture and multivariate Poisson and negative-binomial models, which provides powerful new approaches for fitting these models. We show that particularly when detection probability and the number of sampling occasions are small, infinite estimates of abundance can arise. We propose a sample covariance as a diagnostic for this event, and demonstrate its good performance in the Poisson case. Infinite estimates may be missed in practice, due to numerical optimization procedures terminating at arbitrarily large values. It is shown that the use of a bound, K, for an infinite summation in the N-mixture likelihood can result in underestimation of abundance, so that default values of K in computer packages should be avoided. Instead we propose a simple automatic way to choose K. The methods are illustrated by analysis of data on Hermann's tortoise Testudo hermanni. PMID:25314629
Ocean modelling aspects for drift applications
NASA Astrophysics Data System (ADS)
Stephane, L.; Pierre, D.
2010-12-01
Nowadays, many authorities in charge of rescue-at-sea operations lean on operational oceanography products to outline research perimeters. Moreover, current fields estimated with sophisticated ocean forecasting systems can be used as input data for oil spill/ adrift object fate models. This emphasises the necessity of an accurate sea state forecast, with a mastered level of reliability. This work focuses on several problems inherent to drift modeling, dealing in the first place with the efficiency of the oceanic current field representation. As we want to discriminate the relevance of a particular physical process or modeling option, the idea is to generate series of current fields of different characteristics and then qualify them in term of drift prediction efficiency. Benchmarked drift scenarios were set up from real surface drifters data, collected in the Mediterranean sea and off the coasts of Angola. The time and space scales that we are interested in are about 72 hr forecasts (typical timescale communicated in case of crisis), for distance errors that we hope about a few dozen of km around the forecast (acceptable for reconnaissance by aircrafts) For the ocean prediction, we used some regional oceanic configurations based on the NEMO 2.3 code, nested into Mercator 1/12° operational system. Drift forecasts were computed offline with Mothy (Météo France oil spill modeling system) and Ariane (B. Blanke, 1997), a Lagrangian diagnostic tool. We were particularly interested in the importance of the horizontal resolution, vertical mixing schemes, and any processes that may impact the surface layer. The aim of the study is to ultimately point at the most suitable set of parameters for drift forecast use inside operational oceanic systems. We are also motivated in assessing the relevancy of ensemble forecasts regarding determinist predictions. Several tests showed that mis-described observed trajectories can finally be modelled statistically by using uncertainties
Testing a Theoretical Model of Immigration Transition and Physical Activity.
Chang, Sun Ju; Im, Eun-Ok
2015-01-01
The purposes of the study were to develop a theoretical model to explain the relationships between immigration transition and midlife women's physical activity and test the relationships among the major variables of the model. A theoretical model, which was developed based on transitions theory and the midlife women's attitudes toward physical activity theory, consists of 4 major variables, including length of stay in the United States, country of birth, level of acculturation, and midlife women's physical activity. To test the theoretical model, a secondary analysis with data from 127 Hispanic women and 123 non-Hispanic (NH) Asian women in a national Internet study was used. Among the major variables of the model, length of stay in the United States was negatively associated with physical activity in Hispanic women. Level of acculturation in NH Asian women was positively correlated with women's physical activity. Country of birth and level of acculturation were significant factors that influenced physical activity in both Hispanic and NH Asian women. The findings support the theoretical model that was developed to examine relationships between immigration transition and physical activity; it shows that immigration transition can play an essential role in influencing health behaviors of immigrant populations in the United States. The NH theoretical model can be widely used in nursing practice and research that focus on immigrant women and their health behaviors. Health care providers need to consider the influences of immigration transition to promote immigrant women's physical activity. PMID:26502554
Thermodynamical aspects of running vacuum models
NASA Astrophysics Data System (ADS)
Lima, J. A. S.; Basilakos, Spyros; Solà, Joan
2016-04-01
The thermal history of a large class of running vacuum models in which the effective cosmological term is described by a truncated power series of the Hubble rate, whose dominant term is Λ (H) ∝ H^{n+2}, is discussed in detail. Specifically, by assuming that the ultrarelativistic particles produced by the vacuum decay emerge into space-time in such a way that its energy density ρ _r ∝ T4, the temperature evolution law and the increasing entropy function are analytically calculated. For the whole class of vacuum models explored here we find that the primeval value of the comoving radiation entropy density (associated to effectively massless particles) starts from zero and evolves extremely fast until reaching a maximum near the end of the vacuum decay phase, where it saturates. The late-time conservation of the radiation entropy during the adiabatic FRW phase also guarantees that the whole class of running vacuum models predicts the same correct value of the present day entropy, S0 ˜ 10^{87}-10^{88} (in natural units), independently of the initial conditions. In addition, by assuming Gibbons-Hawking temperature as an initial condition, we find that the ratio between the late-time and primordial vacuum energy densities is in agreement with naive estimates from quantum field theory, namely, ρ _{Λ 0}/ρ _{Λ I} ˜ 10^{-123}. Such results are independent on the power n and suggests that the observed Universe may evolve smoothly between two extreme, unstable, non-singular de Sitter phases.
Fernandez-Rodriguez, Miguel Angel; Rodriguez-Valverde, Miguel Angel; Cabrerizo-Vilchez, Miguel Angel; Hidalgo-Alvarez, Roque
2016-07-01
Since de Gennes coined in 1992 the term Janus particle (JP), there has been a continued effort to develop this field. The purpose of this review is to present the most relevant theoretical and experimental results obtained so far on the surface activity of amphiphilic JPs at fluid interfaces. The surface activity of JPs at fluid-fluid interfaces can be experimentally determined using two different methods: the classical Langmuir balance or the pendant drop tensiometry. The second method requires much less amount of sample than the first one, but it has also some experimental limitations. In all cases collected here the JPs exhibited a higher surface or interfacial activity than the corresponding homogeneous particles. This reveals the significant advantage of JPs for the stabilization of emulsions and foams. PMID:26094083
Theoretical and applied aspects of night vision goggle resolution and visual acuity assessment
NASA Astrophysics Data System (ADS)
Task, H. Lee; Pinkus, Alan R.
2007-04-01
The image quality of night vision goggles is often expressed in terms of visual acuity, resolution or modulation transfer function. The primary reason for providing a measure of image quality is the underlying assumption that the image quality metric correlates with the level of visual performance that one could expect when using the device, for example, target detection or target recognition performance. This paper provides a theoretical analysis of the relationships between these three image quality metrics: visual acuity, resolution and modulation transfer function. Results from laboratory and field studies were used to relate these metrics to visual performance. These results can also be applied to non-image intensifier based imaging systems such as a helmet-mounted display coupled to an imaging sensor.
Rokhina, Ekaterina V; Lahtinen, Manu; Makarova, Katerina; Jegatheesan, Veeriah; Virkutyte, Jurate
2012-06-01
The nitric acid-functionalized commercial carbon nanofibers (CNFs) were comprehensively studied by instrumental (XRD, BET, SEM, TGA) and theoretical (DFT calculations) methods. The detailed surface study revealed the variation in the characteristics of functionalized CNFs, such as a decreased (up to 34%) surface area and impacted structural, electronic and chemical properties. The effects of functional groups were studied by comparison with pristine nanofibers. The results showed that the C-C bond lengths of the modified CNFs varied significantly. Chemical functionalization altered the frontier orbitals of the pristine material, and therefore altered the nature of their interactions with other substances. Moreover, the pristine and modified CNFs were tested for the removal of phenol from aqueous solutions. It was observed that surface modification tuned the adsorption capacity of carbon nanofibers (up to 0.35 mmol g(-1)), whereas original fibers did not demonstrate any adsorption capacity of phenol. PMID:22209137
Aspect-Oriented Model-Driven Software Product Line Engineering
NASA Astrophysics Data System (ADS)
Groher, Iris; Voelter, Markus
Software product line engineering aims to reduce development time, effort, cost, and complexity by taking advantage of the commonality within a portfolio of similar products. The effectiveness of a software product line approach directly depends on how well feature variability within the portfolio is implemented and managed throughout the development lifecycle, from early analysis through maintenance and evolution. This article presents an approach that facilitates variability implementation, management, and tracing by integrating model-driven and aspect-oriented software development. Features are separated in models and composed of aspect-oriented composition techniques on model level. Model transformations support the transition from problem to solution space models. Aspect-oriented techniques enable the explicit expression and modularization of variability on model, template, and code level. The presented concepts are illustrated with a case study of a home automation system.
Theoretical models for the conformations and the protonation of triacetonamine.
Navajas, C C; Montero, L A; La Serna, B
1990-12-01
In this paper we propose theoretical models for the conformations of triacetonamine and protonated triacetonamine (Vincubine, an anticancer chemotherapeutic agent) developed by quantum and molecular mechanics techniques. We discuss the theoretical factors which are involved in the stabilization of the conformations calculated by the MNDO, MM2 and COPEANE methods and show the relative percent abundance of each molecular shape. Graphic representations of the conformers are depicted. PMID:1965442
Theoretical Modeling of the Discharge-Pumped Xenon - Excimer Laser.
NASA Astrophysics Data System (ADS)
Zhu, Sheng-Bai
The present dissertation is dedicated to a theoretical study of the discharge pumped XeCl excimer laser. For a better description of our system, Two modelings which supplement each other from different angles have been successfully developed. The first one, a comprehensive kinetics model which can be applied to the detailed simulations of the temporal behavior of the discharge characteristics and laser performance, is constructed by a set of coupled first -order differential equations, such as the rate equations, the Boltzmann equation, the external electric circuit equations, the energy balance equation, and the equations of optical resonator. The starting and termination of the discharge are taken into deliberation for the first time, especially for the Blumlein case. Some 70 kinetic processes and 23 chemical species are included. Such a problem can only be numerically solved by means of an elaborate computer code. Another model, on the other hand, pays attention to the quasi-steady-state to facilitate parametric study. A group of rate coefficients for the kinetic processes involving free electrons are approximated by analytic expressions using numerical results compiled from computer code calculations. Explicit expressions of the number densities for all relevant chemical species are obtained. Among them, HCI(O), H, and Cl can never reach steady-state population. Time history of the concentrations for these species are computed instead. With the discussions about the effect of vibrational relaxation and state-to-state transfer in the upper energy level, and the discussions about the rotational structure, collisional broadening, and dissociation of the diatomic ground state, we have extensively investigated the spontaneous emission spectra, the small-signal gain, the non-saturable absorption, the steady-state laser output power, and various efficiencies. Saturation effects in laser oscillators and laser amplifiers are discussed as well. These topics relate to the
Theoretical aspects of energy range relations, stopping power and energy straggling of protons
NASA Astrophysics Data System (ADS)
Ulmer, W.
2007-07-01
The Bragg-Kleeman rule RCSDA=AE0p provides a connection between the initial energy E0 of a proton and the range RCSDA in a medium, if the continuous-slowing-down approximation (CSDA) is assumed. The rule results from a generalized (nonrelativistic) Langevin equation; its integration also yields information on the residual energy E(z) or dE(z)/dz of a proton at position z. A relativistic extension of the generalized Langevin equation leads to the formula RCSDA=A(E0+E02/2Mc2)p. Since the initial energy E0 of therapeutic protons satisfies E0≪2Mc2, relativistic contributions can be treated as correction terms. Besides this phenomenological aspect, a complete integration of Bethe-Bloch equation (BBE) is presented, which provides the determination of RCSDA, E(z), dE(z)/dz and works without any empirical parameters. The results of these different methods are compared with Monte Carlo calculations (GEANT4). Since the energy transfer from proton to the environmental atomic electrons regarded in the CSDA-framework has to account for local fluctuations, an analysis of the Gaussian convolution and the Landau-Vavilov distribution function is performed on the basis of quantum-statistical mechanics. The Landau tail can be described as a Hermite polynomial correction of a Gaussian convolution.
Theoretical Aspects of Minority Carrier Extraction in Unipolar Barrier Infrared Detectors
NASA Astrophysics Data System (ADS)
Ting, David Z.-Y.; Soibel, Alexander; Höglund, Linda; Gunapala, Sarath D.
2015-09-01
We have examined, theoretically, minority carrier collection in unipolar barrier infrared photodetectors. In barrier infrared detectors, for example the nBn, the unipolar barrier should block only majority carriers and allow unimpeded flow of minority carriers. However, an imperfect barrier would also block minority carriers, resulting in higher than expected turn-on bias. Minority carrier blocking can be caused by barrier doping or unintended band offset between the barrier and the absorber. The distinct manner in which these two mechanisms affect device performance were investigated. We found that introduction of an appropriate amount of barrier doping can reduce depletion dark current without increasing turn-on bias. We examined the effects of band structure on conductivity effective masses when the n-type absorber was a type-II superlattice (T2SL). We showed that for a long-wavelength infrared InAs/GaSb T2SL the vertical conductivity hole effective mass can be much smaller than that predicted by the simple band-edge effect mass picture, implying that the vertical hole mobility estimated from the band-edge effective mass can be unduly pessimistic.
NASA Technical Reports Server (NTRS)
Linde, Charlotte; Goguen, Joseph; Devenish, Linda
1987-01-01
This study is the final report of a project studying methods of communications training applicable to both civilian and military aviation personnel, including multiperson teams or single pilot fixed wing or rotary wing aircraft. A review is provided of a number of theories proposed as relevant for producing training materials for improved communications. Criteria are given for evaluating the applicability of training programs to the aviation environment, and these criteria are applied to United Airlines' Resources Management Training, as well as to a number of commercially available general purpose training programs. The report considers in detail assertiveness training and grid management training, examining their theoretical background and attempts made to validate their effectiveness. It was found that there are substantive difficulties in assessing the effectiveness of both training programs, as well as problems with the theories underlying them. However, because the aviation environment offers unique advantages for studying the effectiveness of communications training, recommendations are made on the design of appropriate training programs and on procedures that might be used to validate them.
STED Nanoscopy with Time-Gated Detection: Theoretical and Experimental Aspects
Vicidomini, Giuseppe; Schönle, Andreas; Ta, Haisen; Han, Kyu Young; Moneron, Gael; Eggeling, Christian; Hell, Stefan W.
2013-01-01
In a stimulated emission depletion (STED) microscope the region in which fluorescence markers can emit spontaneously shrinks with continued STED beam action after a singular excitation event. This fact has been recently used to substantially improve the effective spatial resolution in STED nanoscopy using time-gated detection, pulsed excitation and continuous wave (CW) STED beams. We present a theoretical framework and experimental data that characterize the time evolution of the effective point-spread-function of a STED microscope and illustrate the physical basis, the benefits, and the limitations of time-gated detection both for CW and pulsed STED lasers. While gating hardly improves the effective resolution in the all-pulsed modality, in the CW-STED modality gating strongly suppresses low spatial frequencies in the image. Gated CW-STED nanoscopy is in essence limited (only) by the reduction of the signal that is associated with gating. Time-gated detection also reduces/suppresses the influence of local variations of the fluorescence lifetime on STED microscopy resolution. PMID:23349884
NASA Astrophysics Data System (ADS)
Sharma, S. K.
2012-12-01
A number of experimental elastic light scattering studies have been performed in the past few years with the aim of developing automated in vivo tools for differentiating a healthy red blood cell from a Plasmodium falciparum infected cell. This paper examines some theoretical aspects of the problem. An attempt has been made to simulate the scattering patterns of healthy as well as infected individual red blood cells. Two models, namely, a homogeneous sphere model and a coated sphere model have been considered. The scattering patterns predicted by these models are examined. A possible method for discriminating infected red blood cells from healthy ones has been suggested.
Culture and Developmental Trajectories: A Discussion on Contemporary Theoretical Models
ERIC Educational Resources Information Center
de Carvalho, Rafael Vera Cruz; Seidl-de-Moura, Maria Lucia; Martins, Gabriela Dal Forno; Vieira, Mauro Luís
2014-01-01
This paper aims to describe, compare and discuss the theoretical models proposed by Patricia Greenfield, Çigdem Kagitçibasi and Heidi Keller. Their models have the common goal of understanding the developmental trajectories of self based on dimensions of autonomy and relatedness that are structured according to specific cultural and environmental…
A methodology for evacuation design for urban areas: theoretical aspects and experimentation
NASA Astrophysics Data System (ADS)
Russo, F.; Vitetta, A.
2009-04-01
This paper proposes an unifying approach for the simulation and design of a transportation system under conditions of incoming safety and/or security. Safety and security are concerned with threats generated by very different factors and which, in turn, generate emergency conditions, such as the 9/11, Madrid and London attacks, the Asian tsunami, and the Katrina hurricane; just considering the last five years. In transportation systems, when exogenous events happen and there is a sufficient interval time between the instant when the event happens and the instant when the event has effect on the population, it is possible to reduce the negative effects with the population evacuation. For this event in every case it is possible to prepare with short and long term the evacuation. For other event it is possible also to plan the real time evacuation inside the general risk methodology. The development of models for emergency conditions in transportation systems has not received much attention in the literature. The main findings in this area are limited to only a few public research centres and private companies. In general, there is no systematic analysis of the risk theory applied in the transportation system. Very often, in practice, the vulnerability and exposure in the transportation system are considered as similar variables, or in other worse cases the exposure variables are treated as vulnerability variables. Models and algorithms specified and calibrated in ordinary conditions cannot be directly applied in emergency conditions under the usual hypothesis considered. This paper is developed with the following main objectives: (a) to formalize the risk problem with clear diversification (for the consequences) in the definition of the vulnerability and exposure in a transportation system; thus the book offers improvements over consolidated quantitative risk analysis models, especially transportation risk analysis models (risk assessment); (b) to formalize a system
Cognitive Aspects of Change in Drawings: A Neo-Piagetian Theoretical Account
ERIC Educational Resources Information Center
Morra, Sergio
2005-01-01
This study reconsiders a series of drawing tasks (Goodnow, 1978) in which children have to modify their stereotypical drawing of the human figure to represent a person in movement. Another task, in which children have to differentiate the drawing of a kangaroo from that of a person, is also considered. According to a neo-Piagetian model of drawing…
Theoretical models on prediction of thermal property of nanofluids
NASA Astrophysics Data System (ADS)
Shalimba, Veikko; Skočilasová, Blanka
2014-08-01
This paper deals with theoretical models on prediction of thermo physical properties of iron nanoparticles in base fluid. A high performance of heat transfer fluid has a great influence on the size, weight and cost of heat transfer systems, therefore a high performance heat transfer fluid is very important in many industries. Over the last decades nanofluids have been developed. According to many researchers and publications on nanofluids it is evident that nanofluids are found to exhibit enhanced thermal properties i.e. thermal conductivity etc. Theoretical models for predicting enhanced thermal conductivity have been established. The underlying mechanisms for the enhancement are still debated and not fully understood. In this paper, theoretical analytical models on prediction of thermal conductivity of iron nano particle in base Jatropha oil are discussed. The work arises from the projects which were realized at UJEP, FPTM, department of Machines and Mechanics with cooperation with Polytechnic of Namibia, department of Mechanical Engineering.
Theoretical aspects of electroweak and other interactions in medium energy nuclear physics
NASA Astrophysics Data System (ADS)
Mukhopadhyay, N. C.
1994-12-01
Significant progress has been made in the current project year in the development of chiral soliton model and its applications to the electroweak structure of the nucleon and the Delta (1232) resonance. Further progress also has been made in the application of the perturbative QCD (pQCD) and the study of physics beyond the standard model. The postdoctoral associate and the graduate student working towards his Ph.D. degree have both made good progress. The review panel of the DOE has rated this program as a 'strong, high priority' one. A total of fifteen research communications -- eight journal papers and, conference reports and seven other communications -- have been made during the project year so far.
NASA Astrophysics Data System (ADS)
Vassal, J.-P.; Orgéas, L.; Favier, D.; Auriault, J.-L.; Le Corre, S.
2008-01-01
Many analytical and numerical works have been devoted to the prediction of macroscopic effective transport properties in particulate media. Usually, structure and properties of macroscopic balance and constitutive equations are stated a priori. In this paper, the upscaling of the transient diffusion equations in concentrated particulate media with possible particle-particle interfacial barriers, highly conductive particles, poorly conductive matrix, and temperature-dependent physical properties is revisited using the homogenization method based on multiple scale asymptotic expansions. This method uses no a priori assumptions on the physics at the macroscale. For the considered physics and microstructures and depending on the order of magnitude of dimensionless Biot and Fourier numbers, it is shown that some situations cannot be homogenized. For other situations, three different macroscopic models are identified, depending on the quality of particle-particle contacts. They are one-phase media, following the standard heat equation and Fourier’s law. Calculations of the effective conductivity tensor and heat capacity are proved to be uncoupled. Linear and steady state continuous localization problems must be solved on representative elementary volumes to compute the effective conductivity tensors for the two first models. For the third model, i.e., for highly resistive contacts, the localization problem becomes simpler and discrete whatever the shape of particles. In paper II [Vassal , Phys. Rev. E 77, 011303 (2008)], diffusion through networks of slender, wavy, entangled, and oriented fibers is considered. Discrete localization problems can then be obtained for all models, as well as semianalytical or fully analytical expressions of the corresponding effective conductivity tensors.
Hovav, Yonatan; Feintuch, Akiva; Vega, Shimon
2013-01-01
Dynamic nuclear polarization is a method which allows for a dramatic increase of the NMR signals due to polarization transfer between electrons and their neighboring nuclei, via microwave irradiation. These experiments have become popular in recent years due to the ability to create hyper-polarized chemically and biologically relevant molecules, in frozen glass forming mixtures containing free radicals. Three mechanisms have been proposed for the polarization transfer between electrons and their surrounding nuclei in such non-conducting samples: the solid effect and cross effect mechanisms, which are based on quantum mechanics and relaxation on small spin systems, and thermal mixing, which originates from the thermodynamic macroscopic notion of spin temperature. We have recently introduced a spin model, which is based on the density matrix formalism and includes relaxation, and applied it to study the solid effect and cross effect mechanisms on small spin systems. In this publication we use the same model to describe the thermal mixing mechanism, and the creation of spin temperature. This is obtained without relying on the spin temperature formalism. Simulations of small model systems are used on systems with homogeneously and inhomogeneously broadened EPR lines. For the case of a homogeneously broadened line we show that the nuclear enhancement results from the thermal mixing and solid effect mechanisms, and that spin temperatures are created in the system. In the inhomogeneous case the enhancements are attributed to the solid effect and cross effect mechanisms, but not thermal mixing. PMID:23160533
A control theoretic model for piloted approach to landing.
NASA Technical Reports Server (NTRS)
Kleinman, D. L.; Baron, S.
1972-01-01
Using manned vehicle systems analysis, a model for manual approach to landing is developed. This model is developed and applied in the specific context of a problem of analytical evaluation of a pictorial display for longitudinal control of glide path errors. This makes it possible to discuss the model in concrete terms, and the availability of experimental data provides opportunities for checking the theoretical results obtained.
Tretter, F
2016-08-01
Methodological reflections on pain research and pain therapy focussing on addiction risks are addressed in this article. Starting from the incompleteness of objectification of the purely subjectively fully understandable phenomena of pain and addiction, the relevance of a comprehensive general psychology is underlined. It is shown that that reduction of pain and addiction to a mainly focally arguing neurobiology is only possible if both disciplines have a systemic concept of pain and addiction. With this aim, parallelized conceptual network models are presented. PMID:27422300
NASA Astrophysics Data System (ADS)
Johansson, Annika; Henk, Jürgen; Mertig, Ingrid
2016-05-01
A charge current driven through a two-dimensional electron gas (2DEG) with Rashba spin-orbit coupling generates a spatially homogeneous spin polarization perpendicular to the applied electric field. This phenomenon is the Aronov-Lyanda-Geller-Edelstein (ALGE) effect. For selected model systems, we consider the ALGE effect within the semiclassical Boltzmann transport theory. Its energy dependence is investigated, in particular the regime below the Dirac point of the 2DEG. In addition to an isotropic 2DEG, we analyze systems with anisotropic Fermi contours. We predict that the current-induced spin polarization vanishes if the Fermi contour passes through a Lifshitz transition. Further, we corroborate that topological insulators (TI) provide a very efficient charge-to-spin conversion.
Deficits of Affect Mentalization in Patients with Drug Addiction: Theoretical and Clinical Aspects
Savov, Svetoslav; Atanassov, Nikola
2013-01-01
Traditionally treated with wariness, drug addictions have provoked a serious interest in psychodynamically oriented clinicians in recent decades. This paper discusses the development of contemporary psychodynamic conceptualizations of addictions, focusing specifically on mentalization-based theories. The concept of mentalization refers to a complex form of self-regulation which includes attribution of psychological meaning to one's own behavior and affective states, as well as those of the others. We hypothesize that drug-addicted patients have severe impairments in mentalizing, associated with developmental deficits, characteristic for the borderline personality disorder and psychosomatic conditions. Psychodynamic models of mentalization and their corresponding research operationalizations are reviewed, and implications for a contemporary understanding of drug addictions and psychotherapy are drawn. The authors propose that mentalization-oriented theories provide an adequate conceptualization, which is open to empirical testing and has clear and pragmatic guidelines for treatment. PMID:25969831
NASA Astrophysics Data System (ADS)
Bončina, M.; Reščič, J.; Kalyuzhnyi, Yu. V.; Vlachy, V.
2007-07-01
The depletion interaction between proteins caused by addition of either uncharged or partially charged oligomers was studied using the canonical Monte Carlo simulation technique and the integral equation theory. A protein molecule was modeled in two different ways: either as (i) a hard sphere of diameter 30.0Å with net charge 0, or +5, or (ii) as a hard sphere with discrete charges (depending on the pH of solution) of diameter 45.4Å. The oligomers were pictured as tangentially jointed, uncharged, or partially charged, hard spheres. The ions of a simple electrolyte present in solution were represented by charged hard spheres distributed in the dielectric continuum. In this study we were particularly interested in changes of the protein-protein pair-distribution function, caused by addition of the oligomer component. In agreement with previous studies we found that addition of a nonadsorbing oligomer reduces the phase stability of solution, which is reflected in the shape of the protein-protein pair-distribution function. The value of this function in protein-protein contact increases with increasing oligomer concentration, and is larger for charged oligomers. The range of the depletion interaction and its strength also depend on the length (number of monomer units) of the oligomer chain. The integral equation theory, based on the Wertheim Ornstein-Zernike approach applied in this study, was found to be in fair agreement with Monte Carlo results only for very short oligomers. The computer simulations for a model mimicking the lysozyme molecule (ii) are in qualitative agreement with small-angle neutron experiments for lysozyme-dextran mixtures.
Moga, M; Pogarasteanu, ME; Barbilian, A
2015-01-01
Hip arthrosis, primary or secondary, is an osteoarthritic degenerative process that affects the hip joint. Primary hip arthrosis has an unknown etiology, and secondary hip arthrosis has well defined causes; of these causes, some are known to lead to arthrosis of the hip in the young age patient. The surgical treatment aims either to preserve the patient’s hip joint, or to replace the joint. The most commonly used procedure at this time is the total hip arthroplasty. The femoral component may have a short or a long stem. The short femoral stem prosthesis is usually impacted by using a unique technique and unique instruments, according to the manufacturer’s specifications. There are several models of short stem femoral prosthesis, but no matter which one is chosen, the surgical indication, the surgical technique and a well-conducted recovery program are important. The choosing of each arthroplastic implant must be made with care, taking into consideration the patient’s benefit, his expectations, and also the surgeon’s experience. PMID:26103643
Rotor-stator contact dynamics using a non-ideal drive—Theoretical and experimental aspects
NASA Astrophysics Data System (ADS)
Lahriri, Said; Weber, Hans I.; Santos, Ilmar F.; Hartmann, Henning
2012-09-01
The possible contact between rotor and stator is considered a serious malfunction that may lead to catastrophic failure. Rotor rub is seen as a secondary phenomenon caused by a primary source, i.e. sudden mass unbalance, instabilities generated by aerodynamic and hydrodynamic forces in seals and bearings among others. The contact event gives rise to normal and friction forces exerted on the rotor at impact events. The friction force plays a significant role by transferring some rotational energy of the rotor to lateral motion. A mathematical model has been developed to capture this for a conventional backup annular guide setup. It is reasonable to superpose an impact condition to the rub, where the rotor spin energy can be fully transformed into rotor lateral movements. Using a nonideal drive, i.e. an electric motor without any kind of velocity feedback control, it is even possible to stop the rotor spin under rubbing conditions. All the rotational energy will be transformed in a kind of "self-excited" rotor lateral vibration with repeated impacts against the housing. This paper studies the impact motion of a rotor impacting a conventional backup annular guide for the case of dry and lubricated inner surface of the guide. For the dry surface case, the experimental and numerical analysis shows that the rotational energy is fully transformed into lateral motion and the rotor spin is stopped. Based on this study this paper proposes a new unconventional backup bearing design in order to reduce the rub related severity in friction and center the rotor at impact events. The analysis shows that the rotor at impacts is forced to the center of the backup bearing and the lateral motion is mitigated. As a result of this, the rotor spin is kept constant.
The Theoretical Basis of the Effective School Improvement Model (ESI)
ERIC Educational Resources Information Center
Scheerens, Jaap; Demeuse, Marc
2005-01-01
This article describes the process of theoretical reflection that preceded the development and empirical verification of a model of "effective school improvement". The focus is on basic mechanisms that could be seen as underlying "getting things in motion" and change in education systems. Four mechanisms are distinguished: synoptic rational…
Healing from Childhood Sexual Abuse: A Theoretical Model
ERIC Educational Resources Information Center
Draucker, Claire Burke; Martsolf, Donna S.; Roller, Cynthia; Knapik, Gregory; Ross, Ratchneewan; Stidham, Andrea Warner
2011-01-01
Childhood sexual abuse is a prevalent social and health care problem. The processes by which individuals heal from childhood sexual abuse are not clearly understood. The purpose of this study was to develop a theoretical model to describe how adults heal from childhood sexual abuse. Community recruitment for an ongoing broader project on sexual…
Organizational Learning and Product Design Management: Towards a Theoretical Model.
ERIC Educational Resources Information Center
Chiva-Gomez, Ricardo; Camison-Zornoza, Cesar; Lapiedra-Alcami, Rafael
2003-01-01
Case studies of four Spanish ceramics companies were used to construct a theoretical model of 14 factors essential to organizational learning. One set of factors is related to the conceptual-analytical phase of the product design process and the other to the creative-technical phase. All factors contributed to efficient product design management…
NASA Astrophysics Data System (ADS)
Grünkorn, Juliane; Belzen, Annette Upmeier zu; Krüger, Dirk
2014-07-01
Research in the field of students' understandings of models and their use in science describes different frameworks concerning these understandings. Currently, there is no conjoint framework that combines these structures and so far, no investigation has focused on whether it reflects students' understandings sufficiently (empirical evaluation). Therefore, the purpose of this article is to present the results of an empirical evaluation of a conjoint theoretical framework. The theoretical framework integrates relevant research findings and comprises five aspects which are subdivided into three levels each: nature of models, multiple models, purpose of models, testing, and changing models. The study was conducted with a sample of 1,177 seventh to tenth graders (aged 11-19 years) using open-ended items. The data were analysed by identifying students' understandings of models (nature of models and multiple models) and their use in science (purpose of models, testing, and changing models), and comparing as well as assigning them to the content of the theoretical framework. A comprehensive category system of students' understandings was thus developed. Regarding the empirical evaluation, the students' understandings of the nature and the purpose of models were sufficiently described by the theoretical framework. Concerning the understandings of multiple, testing, and changing models, additional initial understandings (only one model possible, no testing of models, and no change of models) need to be considered. This conjoint and now empirically tested framework for students' understandings can provide a common basis for future science education research. Furthermore, evidence-based indications can be provided for teachers and their instructional practice.
A Generalized Information Theoretical Model for Quantum Secret Sharing
NASA Astrophysics Data System (ADS)
Bai, Chen-Ming; Li, Zhi-Hui; Xu, Ting-Ting; Li, Yong-Ming
2016-07-01
An information theoretical model for quantum secret sharing was introduced by H. Imai et al. (Quantum Inf. Comput. 5(1), 69-80 2005), which was analyzed by quantum information theory. In this paper, we analyze this information theoretical model using the properties of the quantum access structure. By the analysis we propose a generalized model definition for the quantum secret sharing schemes. In our model, there are more quantum access structures which can be realized by our generalized quantum secret sharing schemes than those of the previous one. In addition, we also analyse two kinds of important quantum access structures to illustrate the existence and rationality for the generalized quantum secret sharing schemes and consider the security of the scheme by simple examples.
Electromechanical properties of smart aggregate: theoretical modeling and experimental validation
NASA Astrophysics Data System (ADS)
Wang, Jianjun; Kong, Qingzhao; Shi, Zhifei; Song, Gangbing
2016-09-01
Smart aggregate (SA), as a piezoceramic-based multi-functional device, is formed by sandwiching two lead zirconate titanate (PZT) patches with copper shielding between a pair of solid-machined cylindrical marble blocks with epoxy. Previous researches have successfully demonstrated the capability and reliability of versatile SAs to monitor the structural health of concrete structures. However, the previous works concentrated mainly on the applications of SAs in structural health monitoring; no reasonable theoretical model of SAs was proposed. In this paper, electromechanical properties of SAs were investigated using a proposed theoretical model. Based on one dimensional linear theory of piezo-elasticity, the dynamic solutions of a SA subjected to an external harmonic voltage were solved. Further, the electric impedance of the SA was computed, and the resonance and anti-resonance frequencies were calculated based on derived equations. Numerical analysis was conducted to discuss the effects of the thickness of epoxy layer and the dimension of PZT patch on the fundamental resonance and anti-resonance frequencies as well as the corresponding electromechanical coupling factor. The dynamic solutions based on the proposed theoretical model were further experimentally verified with two SA samples. The fundamental resonance and anti-resonance frequencies of SAs show good agreements in both theoretical and experimental results. The presented analysis and results contribute to the overall understanding of SA properties and help to optimize the working frequencies of SAs in structural health monitoring of civil structures.
Using Spreadsheets to Teach Aspects of Biology Involving Mathematical Models
ERIC Educational Resources Information Center
Carlton, Kevin; Nicholls, Mike; Ponsonby, David
2004-01-01
Some aspects of biology, for example the Hardy-Weinberg simulation of population genetics or modelling heat flow in lizards, have an undeniable mathematical basis. Students can find the level of mathematical skill required to deal with such concepts to be an insurmountable hurdle to understanding. If not used effectively, spreadsheet models…
Aspects of the Cognitive Model of Physics Problem Solving.
ERIC Educational Resources Information Center
Brekke, Stewart E.
Various aspects of the cognitive model of physics problem solving are discussed in detail including relevant cues, encoding, memory, and input stimuli. The learning process involved in the recognition of familiar and non-familiar sensory stimuli is highlighted. Its four components include selection, acquisition, construction, and integration. The…
Chosen aspects of modeling and control of quadrotor platform
NASA Astrophysics Data System (ADS)
Zawiski, Radosław; Błachuta, Marian
2012-11-01
This article is presenting the extended model of quadrotor platform together with a bespoken control system based on optimal approach. It highlights particular aspects of the derived model, such as inclusion of rotor gyroscopic effects and thrust generation based on momentum theory. The controller's behavior is tested by simulations. Comparisons with literature-available solutions to the problem of full quadrotor optimal control are made and important differences exposed. Conclusions are drawn and future work proposed.
NASA Astrophysics Data System (ADS)
Dirba, I.; Kleperis, J.
2011-01-01
Analytical and numerical modelling is performed for the linear actuator of a parallel path magnet motor. In the model based on finite-element analysis, the 3D problem is reduced to a 2D problem, which is sufficiently precise in a design aspect and allows modelling the principle of a parallel path motor. The paper also describes a relevant numerical model and gives comparison with experimental results. The numerical model includes all geometrical and physical characteristics of the motor components. The magnetic flux density and magnetic force are simulated using FEMM 4.2 software. An experimental model has also been developed and verified for the core of switchable magnetic flux linear actuator and motor. The results of experiments are compared with those of theoretical/analytical and numerical modelling.
Using thermal stress to model aspects of disease states.
Wilson, Thad E; Klabunde, Richard E; Monahan, Kevin D
2014-07-01
Exposure to acute heat or cold stress elicits numerous physiological responses aimed at maintaining body temperatures. Interestingly, many of the physiological responses, mediated by the cardiovascular and autonomic nervous systems, resemble aspects of, or responses to, certain disease states. The purpose of this Perspective is to highlight some of these areas in order to explore how they may help us better understand the pathophysiology underlying aspects of certain disease states. The benefits of using this human thermal stress approach are that (1) no adjustments for inherent comparative differences in animals are needed, (2) non-medicated healthy humans with no underlying co-morbidities can be studied in place of complex patients, and (3) more mechanistic perturbations can be safely employed without endangering potentially vulnerable populations. Cold stress can be used to induce stable elevations in blood pressure. Cold stress may also be used to model conditions where increases in myocardial oxygen demand are not met by anticipated increases in coronary blood flow, as occurs in older adults. Lower-body negative pressure has the capacity to model aspects of shock, and the further addition of heat stress improves and expands this model because passive-heat exposure lowers systemic vascular resistance at a time when central blood volume and left-ventricular filling pressure are reduced. Heat stress can model aspects of heat syncope and orthostatic intolerance as heat stress decreases cerebral blood flow and alters the Frank-Starling mechanism resulting in larger decreases in stroke volume for a given change in left-ventricular filling pressure. Combined, thermal perturbations may provide in vivo paradigms that can be employed to gain insights into pathophysiological aspects of certain disease states. PMID:24956954
A sequential decision-theoretic model for medical diagnostic system.
Li, Aiping; Jin, Songchang; Zhang, Lumin; Jia, Yan
2015-01-01
Although diagnostic expert systems using a knowledge base which models decision-making of traditional experts can provide important information to non-experts, they tend to duplicate the errors made by experts. Decision-Theoretic Model (DTM) is therefore very useful in expert system since they prevent experts from incorrect reasoning under uncertainty. For the diagnostic expert system, corresponding DTM and arithmetic are studied and a sequential diagnostic decision-theoretic model based on Bayesian Network is given. In the model, the alternative features are categorized into two classes (including diseases features and test features), then an arithmetic for prior of test is provided. The different features affect other features weights are also discussed. Bayesian Network is adopted to solve uncertainty presentation and propagation. The model can help knowledge engineers model the knowledge involved in sequential diagnosis and decide evidence alternative priority. A practical example of the models is also presented: at any time of the diagnostic process the expert is provided with a dynamically updated list of suggested tests in order to support him in the decision-making problem about which test to execute next. The results show it is better than the traditional diagnostic model which is based on experience. PMID:26410326
A theoretical model for lunar surface material thermal conductivity.
NASA Technical Reports Server (NTRS)
Khader, M. S.; Vachon, R. I.
1973-01-01
This paper presents a theoretical thermal conductivity model for the uppermost layer of lunar surface material under the lunar vacuum environment. The model assumes that the lunar soil can be simulated by spherical particles in contact with each other and that the effective thermal conductivity is a function of depth, temperature, porosity, particle dimension, and mechanical-thermal properties of the solid particles. Two modes of heat transport are considered, conduction and radiation - with emphasis on the contact resistance between particles. The model gives effective conductivity values that compare favorably with the experimental data from lunar surface samples obtained on Apollo 11 and 12 missions.
Modeling and Composing Scenario-Based Requirements with Aspects
NASA Technical Reports Server (NTRS)
Araujo, Joao; Whittle, Jon; Ki, Dae-Kyoo
2004-01-01
There has been significant recent interest, within the Aspect-Oriented Software Development (AOSD) community, in representing crosscutting concerns at various stages of the software lifecycle. However, most of these efforts have concentrated on the design and implementation phases. We focus in this paper on representing aspects during use case modeling. In particular, we focus on scenario-based requirements and show how to compose aspectual and non-aspectual scenarios so that they can be simulated as a whole. Non-aspectual scenarios are modeled as UML sequence diagram. Aspectual scenarios are modeled as Interaction Pattern Specifications (IPS). In order to simulate them, the scenarios are transformed into a set of executable state machines using an existing state machine synthesis algorithm. Previous work composed aspectual and non-aspectual scenarios at the sequence diagram level. In this paper, the composition is done at the state machine level.
Bollella, Paolo; Fusco, Giovanni; Tortolini, Cristina; Sanzò, Gabriella; Antiochia, Riccarda; Favero, Gabriele; Mazzei, Franco
2016-05-01
In this work, several theoretical aspects involved in the first-generation inhibition-based electrochemical biosensor measurements have been discussed. In particular, we have developed a theoretical-methodological approach for the characterization of the kinetic interaction between alkaline phosphatase (AlP) and 2,4-dichlorophenoxy acetic acid (2,4-D) as representative inhibitor studied by means of cyclic voltammetry and amperometry. Based on these findings, a biosensor for the fast, simple, and inexpensive determination of 2,4-D has been developed. The enzyme has been immobilized on screen-printed electrodes (SPEs). To optimize the biosensor performances, several carbon-based SPEs, namely graphite (G), graphene (GP), and multiwalled carbon nanotubes (MWCNTs), have been evaluated. AlP was immobilized on the electrode surface by means of polyvinyl alcohol with styryl-pyridinium groups (PVA-SbQ) as cross-linking agent. In the presence of ascorbate 2-phosphate (A2P) as substrate, the herbicide has been determined, thanks to its inhibition activity towards the enzyme catalyzing the oxidation of A2P to ascorbic acid (AA). Under optimum experimental conditions, the best performance in terms of catalytic efficiency has been demonstrated by MWCNTs SPE-based biosensor. The inhibition biosensor shows a linearity range towards 2,4-D within 2.1-110 ppb, a LOD of 1 ppb, and acceptable repeatability and stability. This analysis method was applied to fortified lake water samples with recoveries above 90 %. The low cost of this device and its good analytical performances suggest its application for the screening and monitoring of 2,4-D in real matrices. Graphical Abstract ᅟ. PMID:26874693
An information-theoretic model for link prediction in complex networks
NASA Astrophysics Data System (ADS)
Zhu, Boyao; Xia, Yongxiang
2015-09-01
Various structural features of networks have been applied to develop link prediction methods. However, because different features highlight different aspects of network structural properties, it is very difficult to benefit from all of the features that might be available. In this paper, we investigate the role of network topology in predicting missing links from the perspective of information theory. In this way, the contributions of different structural features to link prediction are measured in terms of their values of information. Then, an information-theoretic model is proposed that is applicable to multiple structural features. Furthermore, we design a novel link prediction index, called Neighbor Set Information (NSI), based on the information-theoretic model. According to our experimental results, the NSI index performs well in real-world networks, compared with other typical proximity indices.
An information-theoretic model for link prediction in complex networks
Zhu, Boyao; Xia, Yongxiang
2015-01-01
Various structural features of networks have been applied to develop link prediction methods. However, because different features highlight different aspects of network structural properties, it is very difficult to benefit from all of the features that might be available. In this paper, we investigate the role of network topology in predicting missing links from the perspective of information theory. In this way, the contributions of different structural features to link prediction are measured in terms of their values of information. Then, an information-theoretic model is proposed that is applicable to multiple structural features. Furthermore, we design a novel link prediction index, called Neighbor Set Information (NSI), based on the information-theoretic model. According to our experimental results, the NSI index performs well in real-world networks, compared with other typical proximity indices. PMID:26335758
Structure of plant photosystem I revealed by theoretical modeling.
Jolley, Craig; Ben-Shem, Adam; Nelson, Nathan; Fromme, Petra
2005-09-30
Photosystem (PS) I is a large membrane protein complex vital for oxygenic photosynthesis, one of the most important biological processes on the planet. We present an "atomic" model of higher plant PSI, based on theoretical modeling using the recent 4.4 angstroms x-ray crystal structure of PSI from pea. Because of the lack of information on the amino acid side chains in the x-ray structural model and the high cofactor content in this system, novel modeling techniques were developed. Our model reveals some important structural features of plant PSI that were not visible in the crystal structure, and our model sheds light on the evolutionary relationship between plant and cyanobacterial PSI. PMID:15955818
Decision support models for solid waste management: Review and game-theoretic approaches
Karmperis, Athanasios C.; Aravossis, Konstantinos; Tatsiopoulos, Ilias P.; Sotirchos, Anastasios
2013-05-15
Highlights: ► The mainly used decision support frameworks for solid waste management are reviewed. ► The LCA, CBA and MCDM models are presented and their strengths, weaknesses, similarities and possible combinations are analyzed. ► The game-theoretic approach in a solid waste management context is presented. ► The waste management bargaining game is introduced as a specific decision support framework. ► Cooperative and non-cooperative game-theoretic approaches to decision support for solid waste management are discussed. - Abstract: This paper surveys decision support models that are commonly used in the solid waste management area. Most models are mainly developed within three decision support frameworks, which are the life-cycle assessment, the cost–benefit analysis and the multi-criteria decision-making. These frameworks are reviewed and their strengths and weaknesses as well as their critical issues are analyzed, while their possible combinations and extensions are also discussed. Furthermore, the paper presents how cooperative and non-cooperative game-theoretic approaches can be used for the purpose of modeling and analyzing decision-making in situations with multiple stakeholders. Specifically, since a waste management model is sustainable when considering not only environmental and economic but also social aspects, the waste management bargaining game is introduced as a specific decision support framework in which future models can be developed.
Selected aspects of modelling monetary transmission mechanism by BVAR model
NASA Astrophysics Data System (ADS)
Vaněk, Tomáš; Dobešová, Anna; Hampel, David
2013-10-01
In this paper we use the BVAR model with the specifically defined prior to evaluate data including high-lag dependencies. The results are compared to both restricted and common VAR model. The data depicts the monetary transmission mechanism in the Czech Republic and Slovakia from January 2002 to February 2013. The results point to the inadequacy of the common VAR model. The restricted VAR model and the BVAR model appear to be similar in the sense of impulse responses.
A theoretical model for smoking prevention studies in preteen children.
McGahee, T W; Kemp, V; Tingen, M
2000-01-01
The age of the onset of smoking is on a continual decline, with the prime age of tobacco use initiation being 12-14 years. A weakness of the limited research conducted on smoking prevention programs designed for preteen children (ages 10-12) is a well-defined theoretical basis. A theoretical perspective is needed in order to make a meaningful transition from empirical analysis to application of knowledge. Bandura's Social Cognitive Theory (1977, 1986), the Theory of Reasoned Action (Ajzen & Fishbein, 1980), and other literature linking various concepts to smoking behaviors in preteens were used to develop a model that may be useful for smoking prevention studies in preteen children. PMID:12026266
Theoretical model for plasma expansion generated by hypervelocity impact
Ju, Yuanyuan; Zhang, Qingming Zhang, Dongjiang; Long, Renrong; Chen, Li; Huang, Fenglei; Gong, Zizheng
2014-09-15
The hypervelocity impact experiments of spherical LY12 aluminum projectile diameter of 6.4 mm on LY12 aluminum target thickness of 23 mm have been conducted using a two-stage light gas gun. The impact velocity of the projectile is 5.2, 5.7, and 6.3 km/s, respectively. The experimental results show that the plasma phase transition appears under the current experiment conditions, and the plasma expansion consists of accumulation, equilibrium, and attenuation. The plasma characteristic parameters decrease as the plasma expands outward and are proportional with the third power of the impact velocity, i.e., (T{sub e}, n{sub e}) ∝ v{sub p}{sup 3}. Based on the experimental results, a theoretical model on the plasma expansion is developed and the theoretical results are consistent with the experimental data.
Aspects and Strategies of Numerical Modelling of Underground Coal Fires
NASA Astrophysics Data System (ADS)
Wuttke, M. W.; Han, J.; Liu, G.; Kessels, W.; Schmidt, M.; Gusat, D.; Fischer, Chr.; Hirner, A.; Meyer, U.
2009-04-01
Numerical modelling of underground coal fires has become a valuable tool even for practical fire extinction work. The approaches, methods and finally codes that are used depend on the targets that are aimed at by the particular modelling task. The most general one is to fully understand the processes that sustain or suppress the fire. Another purpose is to produce realistic data for regions that are not accessible (e . g. underneath a burning coal seam) or couldn't be investigated (e.g due to limited resources) to estimate the complete energy budget of the fire. Last but not least one would like to forecast the fire dynamics to predict the future damage or to assess the effectivenees of extinction work. These purposes require the consideration of all aspects with respect to thermal, hydraulic, mechanical and chemical (THMC) processes. At the moment there is no single code that completely covers all these aspects with every degree of complexity. Within the Sino-German project "Innovative Technologies for Exploration, Extinction and Monitoring of Coal Fires in North China" we apply existing codes with different foci with respect to THMC processes and try to combine all codes to one comprehensive model. Besides the sophisticated academic modelling approach we also pursue the concept of "Onsite" modelling to enable fire fighting personnel to perform simplified modelling tasks even by means of web-based applications.
A Modified Theoretical Model of Intrinsic Hardness of Crystalline Solids
Dai, Fu-Zhi; Zhou, Yanchun
2016-01-01
Super-hard materials have been extensively investigated due to their practical importance in numerous industrial applications. To stimulate the design and exploration of new super-hard materials, microscopic models that elucidate the fundamental factors controlling hardness are desirable. The present work modified the theoretical model of intrinsic hardness proposed by Gao. In the modification, we emphasize the critical role of appropriately decomposing a crystal to pseudo-binary crystals, which should be carried out based on the valence electron population of each bond. After modification, the model becomes self-consistent and predicts well the hardness values of many crystals, including crystals composed of complex chemical bonds. The modified model provides fundamental insights into the nature of hardness, which can facilitate the quest for intrinsic super-hard materials. PMID:27604165
A Modified Theoretical Model of Intrinsic Hardness of Crystalline Solids.
Dai, Fu-Zhi; Zhou, Yanchun
2016-01-01
Super-hard materials have been extensively investigated due to their practical importance in numerous industrial applications. To stimulate the design and exploration of new super-hard materials, microscopic models that elucidate the fundamental factors controlling hardness are desirable. The present work modified the theoretical model of intrinsic hardness proposed by Gao. In the modification, we emphasize the critical role of appropriately decomposing a crystal to pseudo-binary crystals, which should be carried out based on the valence electron population of each bond. After modification, the model becomes self-consistent and predicts well the hardness values of many crystals, including crystals composed of complex chemical bonds. The modified model provides fundamental insights into the nature of hardness, which can facilitate the quest for intrinsic super-hard materials. PMID:27604165
Theoretical models for Mars and their seismic properties
NASA Technical Reports Server (NTRS)
Okal, E. A.; Anderson, D. L.
1978-01-01
Theoretical seismic properties of the planet Mars are investigated on the basis of the various models which have been proposed for the internal composition of the planet. The latest interpretation of gravity-field data, assuming a lower value of the moment of inertia, would require a less dense mantle and a larger core than previous models. If Mars is chondritic in composition, the most reasonable models are an incompletely differentiated H-chondrite or a mixture of H-chondrites and carbonaceous chondrites. Seismic profiles, travel times, and free oscillation periods are computed for various models, with the aim of establishing which seismic data is crucial for deciding among the alternatives. A detailed discussion is given of the seismic properties which could - in principle - help answer the questions of whether Mars' core is liquid or solid and whether Mars has a partially molten asthenosphere in its upper mantle.
Theoretical consideration of a microcontinuum model of graphene
NASA Astrophysics Data System (ADS)
Yang, Gang; Huang, Zaixing; Gao, Cun-Fa; Zhang, Bin
2016-05-01
A microcontinuum model of graphene is proposed based on micromorphic theory, in which the planar Bravais cell of graphene crystal is taken as the basal element of finite size. Governing equations including the macro-displacements and the micro-deformations of the basal element are modified and derived in global coordinates. Since independent freedom degrees of the basal element are closely related to the modes of phonon dispersions, the secular equations in micromorphic form are obtained by substituting the assumed harmonic wave equations into the governing equations, and simplified further according to the properties of phonon dispersion relations of two-dimensional (2D) crystals. Thus, the constitutive equations of the microcontinuum model are confirmed, in which the constitutive constants are determined by fitting the data of experimental and theoretical phonon dispersion relations in literature respectively. By employing the 2D microcontinuum model, we obtained sound velocities, Rayleigh velocity and elastic moduli of graphene, which show good agreements with available experimental or theoretical values, indicating that the current model would be another efficient and reliable methodology to study the mechanical behaviors of graphene.
Healing from Childhood Sexual Abuse: A Theoretical Model
Draucker, Claire Burke; Martsolf, Donna S.; Roller, Cynthia; Knapik, Gregory; Ross, Ratchneewan; Stidham, Andrea Warner
2014-01-01
Childhood sexual abuse (CSA) is a prevalent social and healthcare problem. The processes by which individuals heal from CSA are not clearly understood. The purpose of this study was to develop a theoretical model to describe how adults heal from CSA. Community recruitment for an on-going, broader project on sexual violence throughout the lifespan, referred to as the Sexual Violence Study, yielded a subsample of 48 women and 47 men who had experienced CSA. During semi-structured, open-ended interviews, they were asked to describe their experiences with healing from CSA and other victimization throughout their lives. Constructivist grounded theory methods were used with these data to develop constructs and hypotheses about healing. For the Sexual Violence Study, frameworks were developed to describe the participants' life patterns, parenting experiences, disclosures about sexual violence, spirituality, and altruism. Several analytic techniques were used to synthesize the findings of these frameworks to develop an overarching theoretical model that describes healing from CSA. The model includes four stages of healing, five domains of functioning, and six enabling factors that facilitate movement from one stage to the next. The findings indicate that healing is a complex and dynamic trajectory. The model can be used to alert clinicians to a variety of processes and enabling factors that facilitate healing in several domains and to guide discussions on important issues related to healing from CSA. PMID:21812546
Game-Theoretic Models of Information Overload in Social Networks
NASA Astrophysics Data System (ADS)
Borgs, Christian; Chayes, Jennifer; Karrer, Brian; Meeder, Brendan; Ravi, R.; Reagans, Ray; Sayedi, Amin
We study the effect of information overload on user engagement in an asymmetric social network like Twitter. We introduce simple game-theoretic models that capture rate competition between celebrities producing updates in such networks where users non-strategically choose a subset of celebrities to follow based on the utility derived from high quality updates as well as disutility derived from having to wade through too many updates. Our two variants model the two behaviors of users dropping some potential connections (followership model) or leaving the network altogether (engagement model). We show that under a simple formulation of celebrity rate competition, there is no pure strategy Nash equilibrium under the first model. We then identify special cases in both models when pure rate equilibria exist for the celebrities: For the followership model, we show existence of a pure rate equilibrium when there is a global ranking of the celebrities in terms of the quality of their updates to users. This result also generalizes to the case when there is a partial order consistent with all the linear orders of the celebrities based on their qualities to the users. Furthermore, these equilibria can be computed in polynomial time. For the engagement model, pure rate equilibria exist when all users are interested in the same number of celebrities, or when they are interested in at most two. Finally, we also give a finite though inefficient procedure to determine if pure equilibria exist in the general case of the followership model.
Information-Theoretic Benchmarking of Land Surface Models
NASA Astrophysics Data System (ADS)
Nearing, Grey; Mocko, David; Kumar, Sujay; Peters-Lidard, Christa; Xia, Youlong
2016-04-01
Benchmarking is a type of model evaluation that compares model performance against a baseline metric that is derived, typically, from a different existing model. Statistical benchmarking was used to qualitatively show that land surface models do not fully utilize information in boundary conditions [1] several years before Gong et al [2] discovered the particular type of benchmark that makes it possible to *quantify* the amount of information lost by an incorrect or imperfect model structure. This theoretical development laid the foundation for a formal theory of model benchmarking [3]. We here extend that theory to separate uncertainty contributions from the three major components of dynamical systems models [4]: model structures, model parameters, and boundary conditions describe time-dependent details of each prediction scenario. The key to this new development is the use of large-sample [5] data sets that span multiple soil types, climates, and biomes, which allows us to segregate uncertainty due to parameters from the two other sources. The benefit of this approach for uncertainty quantification and segregation is that it does not rely on Bayesian priors (although it is strictly coherent with Bayes' theorem and with probability theory), and therefore the partitioning of uncertainty into different components is *not* dependent on any a priori assumptions. We apply this methodology to assess the information use efficiency of the four land surface models that comprise the North American Land Data Assimilation System (Noah, Mosaic, SAC-SMA, and VIC). Specifically, we looked at the ability of these models to estimate soil moisture and latent heat fluxes. We found that in the case of soil moisture, about 25% of net information loss was from boundary conditions, around 45% was from model parameters, and 30-40% was from the model structures. In the case of latent heat flux, boundary conditions contributed about 50% of net uncertainty, and model structures contributed
Theoretical models for coronary vascular biomechanics: progress & challenges.
Waters, Sarah L; Alastruey, Jordi; Beard, Daniel A; Bovendeerd, Peter H M; Davies, Peter F; Jayaraman, Girija; Jensen, Oliver E; Lee, Jack; Parker, Kim H; Popel, Aleksander S; Secomb, Timothy W; Siebes, Maria; Sherwin, Spencer J; Shipley, Rebecca J; Smith, Nicolas P; van de Vosse, Frans N
2011-01-01
A key aim of the cardiac Physiome Project is to develop theoretical models to simulate the functional behaviour of the heart under physiological and pathophysiological conditions. Heart function is critically dependent on the delivery of an adequate blood supply to the myocardium via the coronary vasculature. Key to this critical function of the coronary vasculature is system dynamics that emerge via the interactions of the numerous constituent components at a range of spatial and temporal scales. Here, we focus on several components for which theoretical approaches can be applied, including vascular structure and mechanics, blood flow and mass transport, flow regulation, angiogenesis and vascular remodelling, and vascular cellular mechanics. For each component, we summarise the current state of the art in model development, and discuss areas requiring further research. We highlight the major challenges associated with integrating the component models to develop a computational tool that can ultimately be used to simulate the responses of the coronary vascular system to changing demands and to diseases and therapies. PMID:21040741
Theoretical models for coronary vascular biomechanics: Progress & challenges
Waters, Sarah L.; Alastruey, Jordi; Beard, Daniel A.; Bovendeerd, Peter H.M.; Davies, Peter F.; Jayaraman, Girija; Jensen, Oliver E.; Lee, Jack; Parker, Kim H.; Popel, Aleksander S.; Secomb, Timothy W.; Siebes, Maria; Sherwin, Spencer J.; Shipley, Rebecca J.; Smith, Nicolas P.; van de Vosse, Frans N.
2013-01-01
A key aim of the cardiac Physiome Project is to develop theoretical models to simulate the functional behaviour of the heart under physiological and pathophysiological conditions. Heart function is critically dependent on the delivery of an adequate blood supply to the myocardium via the coronary vasculature. Key to this critical function of the coronary vasculature is system dynamics that emerge via the interactions of the numerous constituent components at a range of spatial and temporal scales. Here, we focus on several components for which theoretical approaches can be applied, including vascular structure and mechanics, blood flow and mass transport, flow regulation, angiogenesis and vascular remodelling, and vascular cellular mechanics. For each component, we summarise the current state of the art in model development, and discuss areas requiring further research. We highlight the major challenges associated with integrating the component models to develop a computational tool that can ultimately be used to simulate the responses of the coronary vascular system to changing demands and to diseases and therapies. PMID:21040741
Accuracy Analysis of a Box-wing Theoretical SRP Model
NASA Astrophysics Data System (ADS)
Wang, Xiaoya; Hu, Xiaogong; Zhao, Qunhe; Guo, Rui
2016-07-01
For Beidou satellite navigation system (BDS) a high accuracy SRP model is necessary for high precise applications especially with Global BDS establishment in future. The BDS accuracy for broadcast ephemeris need be improved. So, a box-wing theoretical SRP model with fine structure and adding conical shadow factor of earth and moon were established. We verified this SRP model by the GPS Block IIF satellites. The calculation was done with the data of PRN 1, 24, 25, 27 satellites. The results show that the physical SRP model for POD and forecast for GPS IIF satellite has higher accuracy with respect to Bern empirical model. The 3D-RMS of orbit is about 20 centimeters. The POD accuracy for both models is similar but the prediction accuracy with the physical SRP model is more than doubled. We tested 1-day 3-day and 7-day orbit prediction. The longer is the prediction arc length, the more significant is the improvement. The orbit prediction accuracy with the physical SRP model for 1-day, 3-day and 7-day arc length are 0.4m, 2.0m, 10.0m respectively. But they are 0.9m, 5.5m and 30m with Bern empirical model respectively. We apply this means to the BDS and give out a SRP model for Beidou satellites. Then we test and verify the model with Beidou data of one month only for test. Initial results show the model is good but needs more data for verification and improvement. The orbit residual RMS is similar to that with our empirical force model which only estimate the force for along track, across track direction and y-bias. But the orbit overlap and SLR observation evaluation show some improvement. The remaining empirical force is reduced significantly for present Beidou constellation.
Theoretical Modeling of Mechanical-Electrical Coupling of Carbon Nanotubes
Lu, Jun-Qiang; Jiang, Hanqiang
2008-01-01
Carbon nanotubes have been studied extensively due to their unique properties, ranging from electrical, mechanical, optical, to thermal properties. The coupling between the electrical and mechanical properties of carbon nanotubes has emerged as a new field, which raises both interesting fundamental problems and huge application potentials. In this article, we will review our recently work on the theoretical modeling on mechanical-electrical coupling of carbon nanotubes subject to various loading conditions, including tension/compression, torsion, and squashing. Some related work by other groups will be also mentioned.
Theoretical Models and Operational Frameworks in Public Health Ethics
Petrini, Carlo
2010-01-01
The article is divided into three sections: (i) an overview of the main ethical models in public health (theoretical foundations); (ii) a summary of several published frameworks for public health ethics (practical frameworks); and (iii) a few general remarks. Rather than maintaining the superiority of one position over the others, the main aim of the article is to summarize the basic approaches proposed thus far concerning the development of public health ethics by describing and comparing the various ideas in the literature. With this in mind, an extensive list of references is provided. PMID:20195441
The Thomas–Fermi quark model: Non-relativistic aspects
Liu, Quan Wilcox, Walter
2014-02-15
The first numerical investigation of non-relativistic aspects of the Thomas–Fermi (TF) statistical multi-quark model is given. We begin with a review of the traditional TF model without an explicit spin interaction and find that the spin splittings are too small in this approach. An explicit spin interaction is then introduced which entails the definition of a generalized spin “flavor”. We investigate baryonic states in this approach which can be described with two inequivalent wave functions; such states can however apply to multiple degenerate flavors. We find that the model requires a spatial separation of quark flavors, even if completely degenerate. Although the TF model is designed to investigate the possibility of many-quark states, we find surprisingly that it may be used to fit the low energy spectrum of almost all ground state octet and decuplet baryons. The charge radii of such states are determined and compared with lattice calculations and other models. The low energy fit obtained allows us to extrapolate to the six-quark doubly strange H-dibaryon state, flavor symmetric strange states of higher quark content and possible six quark nucleon–nucleon resonances. The emphasis here is on the systematics revealed in this approach. We view our model as a versatile and convenient tool for quickly assessing the characteristics of new, possibly bound, particle states of higher quark number content. -- Highlights: • First application of the statistical Thomas–Fermi quark model to baryonic systems. • Novel aspects: spin as generalized flavor; spatial separation of quark flavor phases. • The model is statistical, but the low energy baryonic spectrum is successfully fit. • Numerical applications include the H-dibaryon, strange states and nucleon resonances. • The statistical point of view does not encourage the idea of bound many-quark baryons.
Gritti, Fabrice; Guiochon, Georges
2012-11-01
The impact of the ratio of the column diameter to the average particle size (or bed aspect ratio) on the column performance was investigated from theoretical and experimental viewpoints. The experiments were conducted for two series of 100mm long columns, 2.1, 3.0, and 4.6mm in diameter, packed with 2.5 μm fully porous particles of Bridge Ethylene Hybrid (BEH) for one series and Charged Surface Hybrid (CSH) for the other. The heights equivalent to a theoretical plate (HETP) of two low molecular weight compounds, uracil (non-retained, k=0) and naphthalene (retained, k=2.5), were determined from the true moments of the recorded peak profiles. The results showed a systematic decrease of the column performance for uracil at high flow velocities with decreasing column inner diameter, in agreement with the theoretical predictions of the variation of the trans-column eddy dispersion HETP term with decreasing bed aspect ratio. This result is consistent with the increasing volume fraction of the wall region of the column, in which the average linear velocity of the mobile phase over a distance of 5 particle diameters from the column wall is about 10% larger than in the bulk center of the column (infinite diameter column). For the retained compound, the discrepancies are levelled out due to the longer average residence time and larger particle diffusivities of retained compounds, which allow a more efficient relaxation of the radial concentration gradients. Further improvements of the performance of the larger I.D. columns (3.0 and 4.6mm I.D.) may be achieved by decreasing the harmful effect of this trans-column velocity bias by injecting and/or collecting the sample molecules in a wide central zone of the column. For 2.1mm I.D. columns, this approach would prove useful only when HPLC instruments providing a lower extra-column band broadening contribution will become available. Finally, the further minimization of the trans-column eddy dispersion HETP term and the design of
NMR relaxation induced by iron oxide particles: testing theoretical models.
Gossuin, Y; Orlando, T; Basini, M; Henrard, D; Lascialfari, A; Mattea, C; Stapf, S; Vuong, Q L
2016-04-15
Superparamagnetic iron oxide particles find their main application as contrast agents for cellular and molecular magnetic resonance imaging. The contrast they bring is due to the shortening of the transverse relaxation time T 2 of water protons. In order to understand their influence on proton relaxation, different theoretical relaxation models have been developed, each of them presenting a certain validity domain, which depends on the particle characteristics and proton dynamics. The validation of these models is crucial since they allow for predicting the ideal particle characteristics for obtaining the best contrast but also because the fitting of T 1 experimental data by the theory constitutes an interesting tool for the characterization of the nanoparticles. In this work, T 2 of suspensions of iron oxide particles in different solvents and at different temperatures, corresponding to different proton diffusion properties, were measured and were compared to the three main theoretical models (the motional averaging regime, the static dephasing regime, and the partial refocusing model) with good qualitative agreement. However, a real quantitative agreement was not observed, probably because of the complexity of these nanoparticulate systems. The Roch theory, developed in the motional averaging regime (MAR), was also successfully used to fit T 1 nuclear magnetic relaxation dispersion (NMRD) profiles, even outside the MAR validity range, and provided a good estimate of the particle size. On the other hand, the simultaneous fitting of T 1 and T 2 NMRD profiles by the theory was impossible, and this occurrence constitutes a clear limitation of the Roch model. Finally, the theory was shown to satisfactorily fit the deuterium T 1 NMRD profile of superparamagnetic particle suspensions in heavy water. PMID:26933908
NMR relaxation induced by iron oxide particles: testing theoretical models
NASA Astrophysics Data System (ADS)
Gossuin, Y.; Orlando, T.; Basini, M.; Henrard, D.; Lascialfari, A.; Mattea, C.; Stapf, S.; Vuong, Q. L.
2016-04-01
Superparamagnetic iron oxide particles find their main application as contrast agents for cellular and molecular magnetic resonance imaging. The contrast they bring is due to the shortening of the transverse relaxation time T 2 of water protons. In order to understand their influence on proton relaxation, different theoretical relaxation models have been developed, each of them presenting a certain validity domain, which depends on the particle characteristics and proton dynamics. The validation of these models is crucial since they allow for predicting the ideal particle characteristics for obtaining the best contrast but also because the fitting of T 1 experimental data by the theory constitutes an interesting tool for the characterization of the nanoparticles. In this work, T 2 of suspensions of iron oxide particles in different solvents and at different temperatures, corresponding to different proton diffusion properties, were measured and were compared to the three main theoretical models (the motional averaging regime, the static dephasing regime, and the partial refocusing model) with good qualitative agreement. However, a real quantitative agreement was not observed, probably because of the complexity of these nanoparticulate systems. The Roch theory, developed in the motional averaging regime (MAR), was also successfully used to fit T 1 nuclear magnetic relaxation dispersion (NMRD) profiles, even outside the MAR validity range, and provided a good estimate of the particle size. On the other hand, the simultaneous fitting of T 1 and T 2 NMRD profiles by the theory was impossible, and this occurrence constitutes a clear limitation of the Roch model. Finally, the theory was shown to satisfactorily fit the deuterium T 1 NMRD profile of superparamagnetic particle suspensions in heavy water.
Sampling artifact in volume weighted velocity measurement. I. Theoretical modeling
NASA Astrophysics Data System (ADS)
Zhang, Pengjie; Zheng, Yi; Jing, Yipeng
2015-02-01
Cosmology based on large scale peculiar velocity prefers volume weighted velocity statistics. However, measuring the volume weighted velocity statistics from inhomogeneously distributed galaxies (simulation particles/halos) suffers from an inevitable and significant sampling artifact. We study this sampling artifact in the velocity power spectrum measured by the nearest particle velocity assignment method by Zheng et al., [Phys. Rev. D 88, 103510 (2013).]. We derive the analytical expression of leading and higher order terms. We find that the sampling artifact suppresses the z =0 E -mode velocity power spectrum by ˜10 % at k =0.1 h /Mpc , for samples with number density 10-3 (Mpc /h )-3 . This suppression becomes larger for larger k and for sparser samples. We argue that this source of systematic errors in peculiar velocity cosmology, albeit severe, can be self-calibrated in the framework of our theoretical modelling. We also work out the sampling artifact in the density-velocity cross power spectrum measurement. A more robust evaluation of related statistics through simulations will be presented in a companion paper by Zheng et al., [Sampling artifact in volume weighted velocity measurement. II. Detection in simulations and comparison with theoretical modelling, arXiv:1409.6809.]. We also argue that similar sampling artifact exists in other velocity assignment methods and hence must be carefully corrected to avoid systematic bias in peculiar velocity cosmology.
Aspects of Mathematical Modelling of Pressure Retarded Osmosis
Anissimov, Yuri G.
2016-01-01
In power generating terms, a pressure retarded osmosis (PRO) energy generating plant, on a river entering a sea or ocean, is equivalent to a hydroelectric dam with a height of about 60 meters. Therefore, PRO can add significantly to existing renewable power generation capacity if economical constrains of the method are resolved. PRO energy generation relies on a semipermeable membrane that is permeable to water and impermeable to salt. Mathematical modelling plays an important part in understanding flows of water and salt near and across semipermeable membranes and helps to optimize PRO energy generation. Therefore, the modelling can help realizing PRO energy generation potential. In this work, a few aspects of mathematical modelling of the PRO process are reviewed and discussed. PMID:26848696
Dynamical aspects in modeling long cantilevering workpieces in tool grinding
NASA Astrophysics Data System (ADS)
de Payrebrune, K. M.; Kröger, M.
2015-10-01
Tool grinding is a complex process in which temporal dynamics of workpiece and grinding wheel, and the material removal process itself, affect the quality of the workpiece. Many existing models already provide the option to study the dynamics of workpiece and grinding wheel or cutting forces and material removal processes, but mostly do not combine these aspects. Here, workpiece dynamics are studied in relation to its structural and geometrical changing properties during machining, and are used to simulate the vibrations and deformation of the workpiece during grinding. In combination with models for the grinding wheel and the material removal process, dependencies of the workpiece dynamics on the workpieces quality are studied and results from this hybrid model are in excellent agreement with empirical measurements. Furthermore, the results demonstrate the significant effects of deformations of the workpiece on its final geometry.
Aspects of Mathematical Modelling of Pressure Retarded Osmosis.
Anissimov, Yuri G
2016-01-01
In power generating terms, a pressure retarded osmosis (PRO) energy generating plant, on a river entering a sea or ocean, is equivalent to a hydroelectric dam with a height of about 60 meters. Therefore, PRO can add significantly to existing renewable power generation capacity if economical constrains of the method are resolved. PRO energy generation relies on a semipermeable membrane that is permeable to water and impermeable to salt. Mathematical modelling plays an important part in understanding flows of water and salt near and across semipermeable membranes and helps to optimize PRO energy generation. Therefore, the modelling can help realizing PRO energy generation potential. In this work, a few aspects of mathematical modelling of the PRO process are reviewed and discussed. PMID:26848696
Inference of Mix from Experimental Data and Theoretical Mix Models
Welser-Sherrill, L.; Haynes, D. A.; Cooley, J. H.; Mancini, R. C.; Haan, S. W.; Golovkin, I. E.
2007-08-02
The mixing between fuel and shell materials in Inertial Confinement Fusion implosion cores is a topic of great interest. Mixing due to hydrodynamic instabilities can affect implosion dynamics and could also go so far as to prevent ignition. We have demonstrated that it is possible to extract information on mixing directly from experimental data using spectroscopic arguments. In order to compare this data-driven analysis to a theoretical framework, two independent mix models, Youngs' phenomenological model and the Haan saturation model, have been implemented in conjunction with a series of clean hydrodynamic simulations that model the experiments. The first tests of these methods were carried out based on a set of indirect drive implosions at the OMEGA laser. We now focus on direct drive experiments, and endeavor to approach the problem from another perspective. In the current work, we use Youngs' and Haan's mix models in conjunction with hydrodynamic simulations in order to design experimental platforms that exhibit measurably different levels of mix. Once the experiments are completed based on these designs, the results of a data-driven mix analysis will be compared to the levels of mix predicted by the simulations. In this way, we aim to increase our confidence in the methods used to extract mixing information from the experimental data, as well as to study sensitivities and the range of validity of the mix models.
Development of theoretical models of integrated millimeter wave antennas
NASA Technical Reports Server (NTRS)
Yngvesson, K. Sigfrid; Schaubert, Daniel H.
1991-01-01
Extensive radiation patterns for Linear Tapered Slot Antenna (LTSA) Single Elements are presented. The directivity of LTSA elements is predicted correctly by taking the cross polarized pattern into account. A moment method program predicts radiation patterns for air LTSAs with excellent agreement with experimental data. A moment method program was also developed for the task LTSA Array Modeling. Computations performed with this program are in excellent agreement with published results for dipole and monopole arrays, and with waveguide simulator experiments, for more complicated structures. Empirical modeling of LTSA arrays demonstrated that the maximum theoretical element gain can be obtained. Formulations were also developed for calculating the aperture efficiency of LTSA arrays used in reflector systems. It was shown that LTSA arrays used in multibeam systems have a considerable advantage in terms of higher packing density, compared with waveguide feeds. Conversion loss of 10 dB was demonstrated at 35 GHz.
A theoretical model of sheath fold morphology in simple shear
NASA Astrophysics Data System (ADS)
Reber, Jacqueline E.; Dabrowski, Marcin; Galland, Olivier; Schmid, Daniel W.
2013-04-01
Sheath folds are highly non-cylindrical structures often associated with shear zones. The geometry of sheath folds, especially cross-sections perpendicular to the stretching direction that display eye-patterns, have been used in the field to deduce kinematic information such as shear sense and bulk strain type. However, how sheath folds form and how they evolve with increasing strain is still a matter of debate. We investigate the formation of sheath folds around a weak inclusion acting as a slip surface in simple shear by means of an analytical model. We systematically vary the slip surface orientation and shape and evaluate the impact on the evolving eye-pattern. In addition we compare our results to existing classifications. Based on field observations it has been suggested that the shear sense of a shear zone can be determined by knowing the position of the center of an eye-pattern and the closing direction of the corresponding sheath fold. In our modeled sheath folds we can observe for a given strain that the center of the eye-structure is subject to change in height with respect to the upper edge of the outermost closed contour for different cross-sections perpendicular to the shear direction. This results in a large variability in layer thickness, questioning the usefulness of sheath folds as shear sense indicators. The location of the center of the eye structure, however, is largely invariant to the initial configurations of the slip surface as well as to strain. It has been suggested that the ratio of the aspect ratio of the innermost and outermost closed contour in eye-patterns could be linked to the bulk strain type based on filed observations. We apply this classification to our modeled sheath folds and we observe that the values of the aspect ratios of the closed contours within the eye-pattern are dependent on the strain and the cross-section location. The ratio (R') of the aspect ratios of the outermost closed contour (Ryz) and the innermost closed
Theoretical light curves for deflagration models of type Ia supernova
NASA Astrophysics Data System (ADS)
Blinnikov, S. I.; Röpke, F. K.; Sorokina, E. I.; Gieseler, M.; Reinecke, M.; Travaglio, C.; Hillebrandt, W.; Stritzinger, M.
2006-07-01
Aims.We present synthetic bolometric and broad-band UBVRI light curves of SNe Ia for four selected 3D deflagration models of thermonuclear supernovae. Methods: .The light curves are computed with the 1D hydro code stella, which models (multi-group time-dependent) non-equilibrium radiative transfer inside SN ejecta. Angle-averaged results from 3D hydrodynamical explosion simulations with the composition determined in a nucleosynthetic postprocessing step served as the input to the radiative transfer model. Results: .The predicted model {UBV} light curves do agree reasonably well with the observed ones for SNe Ia in the range of low to normal luminosities, although the underlying hydrodynamical explosion models produced only a modest amount of radioactive {}56Ni(i.e. 0.24-0.42 M⊙) and relatively low kinetic energy in the explosion (less than 0.7 × 1051 erg). The evolution of predicted B and V fluxes in the model with a {}56Nimass of 0.42 M⊙ follows the observed decline rate after the maximum very well, although the behavior of fluxes in other filters deviates somewhat from observations, and the bolometric decline rate is a bit slow. The material velocity at the photospheric level is on the order of 104 km s-1 for all models. Using our models, we check the validity of Arnett's rule, relating the peak luminosity to the power of the deposited radioactive heating, and we also check the accuracy of the procedure for extracting the {}56Nimass from the observed light curves. Conclusions: .We find that the comparison between theoretical light curves and observations provides a useful tool to validate SN Ia models. The steps necessary for improving the agreement between theory and observations are set out.
Modeling semantic aspects for cross-media image indexing.
Monay, Florent; Gatica-Perez, Daniel
2007-10-01
To go beyond the query-by-example paradigm in image retrieval, there is a need for semantic indexing of large image collections for intuitive text-based image search. Different models have been proposed to learn the dependencies between the visual content of an image set and the associated text captions, then allowing for the automatic creation of semantic indices for unannotated images. The task, however, remains unsolved. In this paper, we present three alternatives to learn a Probabilistic Latent Semantic Analysis model (PLSA) for annotated images, and evaluate their respective performance for automatic image indexing. Under the PLSA assumptions, an image is modeled as a mixture of latent aspects that generates both image features and text captions, and we investigate three ways to learn the mixture of aspects. We also propose a more discriminative image representation than the traditional Blob histogram, concatenating quantized local color information and quantized local texture descriptors. The first learning procedure of a PLSA model for annotated images is a standard EM algorithm, which implicitly assumes that the visual and the textual modalities can be treated equivalently. The other two models are based on an asymmetric PLSA learning, allowing to constrain the definition of the latent space on the visual or on the textual modality. We demonstrate that the textual modality is more appropriate to learn a semantically meaningful latent space, which translates into improved annotation performance. A comparison of our learning algorithms with respect to recent methods on a standard dataset is presented, and a detailed evaluation of the performance shows the validity of our framework. PMID:17699924
Nonlinear Flutter Aspects of the Flexible HSCT Semispan Model
NASA Technical Reports Server (NTRS)
Hajj, Muhammad R.; Silva, Walter A.
2003-01-01
The nonlinear aspects that lead to the flutter of an High-Speed Civil Transport (HSCT) Flexible Semispan Model are analyzed. A hierarchy of spectral moments was used to determine the characteristics of the aerodynamic loading and structural strains and motions. The results show that the frequency of the bending motion of the wing varied significantly as the Mach number was increased between 0.90 and 0.97. Examination of the pressure coefficients in terms of mean value and fluctuations showed that the flow characteristics over the wing changed significantly around a Mach number of 0.97. A strong shock was identified near the trailing edge. Nonlinear analysis of the pressure fluctuations, under these conditions, showed nonlinear coupling involving low-frequency components at pressure locations where the mean value was at a local minimum. This shows that the aerodynamic forces acting on the model had nonlinearly coupled frequency components. The results presented here show how nonlinear analysis tools can be used to identify nonlinear aspects of the flutter phenomenon which are needed in the validation of nonlinear computational methodologies. Keywords: Nonlinear aeroelasticity, Flutter, Bispectrum.
Theoretical model for the wetting of a rough surface.
Hay, K M; Dragila, M I; Liburdy, J
2008-09-15
Many applications would benefit from an understanding of the physical mechanism behind fluid movement on rough surfaces, including the movement of water or contaminants within an unsaturated rock fracture. Presented is a theoretical investigation of the effect of surface roughness on fluid spreading. It is known that surface roughness enhances the effects of hydrophobic or hydrophilic behavior, as well as allowing for faster spreading of a hydrophilic fluid. A model is presented based on the classification of the regimes of spreading that occur when fluid encounters a rough surface: microscopic precursor film, mesoscopic invasion of roughness and macroscopic reaction to external forces. A theoretical relationship is developed for the physical mechanisms that drive mesoscopic invasion, which is used to guide a discussion of the implications of the theory on spreading conditions. Development of the analytical equation is based on a balance between capillary forces and frictional resistive forces. Chemical heterogeneity is ignored. The effect of various methods for estimating viscous dissipation is compared to available data from fluid rise on roughness experiments. Methods that account more accurately for roughness shape better explain the data as they account for more surface friction; the best fit was found for a hydraulic diameter approximation. The analytical solution implies the existence of a critical contact angle that is a function of roughness geometry, below which fluid will spread and above which fluid will resist spreading. The resulting equation predicts movement of a liquid invasion front with a square root of time dependence, mathematically resembling a diffusive process. PMID:18586259
Some aspects of statistical modeling of human-error probability
Prairie, R. R.
1982-01-01
Human reliability analyses (HRA) are often performed as part of risk assessment and reliability projects. Recent events in nuclear power have shown the potential importance of the human element. There are several on-going efforts in the US and elsewhere with the purpose of modeling human error such that the human contribution can be incorporated into an overall risk assessment associated with one or more aspects of nuclear power. An effort that is described here uses the HRA (event tree) to quantify and model the human contribution to risk. As an example, risk analyses are being prepared on several nuclear power plants as part of the Interim Reliability Assessment Program (IREP). In this process the risk analyst selects the elements of his fault tree that could be contributed to by human error. He then solicits the HF analyst to do a HRA on this element.
NONHOMOGENEOUS TERMS IN THE UNSTEADY FLOW EQUATIONS: MODELING ASPECTS.
Lai, Chintu; Schaffranek, Raymond W.; Baltzer, Robert A.
1987-01-01
A study is in progress to identify the relative significance, effects, and benefits attributable to the use of one-dimensional, unsteady, open-channel, flow-simulation models employing a variety of nonhomogeneous terms in their equation formulations. Nonhomogeneous terms being analyzed include those representing bed slope, frictional resistance, nonprismatic channel geometry, lateral flow, and (surface) wind stress. After an initial theoretical discussion, the results of a set of numerical experiments are presented that demonstrate cause-and-effect relationships and intercomparisons achieved by neglect or improper treatment of important nonhomogeneous terms. Preliminary results of this study are discussed and presented in this paper, both in the form of qualitative considerations and quantitative tabular findings. These results are expected to yield a definitive set of guidelines and suggestions useful to model engineers.
Group theoretical modeling of thermal explosion with reactant consumption
NASA Astrophysics Data System (ADS)
Ibragimov, Ranis N.; Dameron, Michael
2012-09-01
Today engineering and science researchers routinely confront problems in mathematical modeling involving nonlinear differential equations. Many mathematical models formulated in terms of nonlinear differential equations can be successfully treated and solved by Lie group methods. Lie group analysis is especially valuable in investigating nonlinear differential equations, for its algorithms act as reliably as for linear cases. The aim of this article is to provide the group theoretical modeling of the symmetrical heating of an exothermally reacting medium with approximations to the body's temperature distribution similar to those made by Thomas [17] and Squire [15]. The quantitative results were found to be in a good agreement with Adler and Enig in [1], where the authors were comparing the integral curves corresponding to the critical conditions for the first-order reaction. Further development of the modeling by including the critical temperature is proposed. Overall, it is shown, in particular, that the application of Lie group analysis allows one to extend the previous analytic results for the first order reactions to nth order ones.
Theoretical model for calculation of helicity in solar active regions
NASA Astrophysics Data System (ADS)
Chatterjee, P.
We (Choudhuri, Chatterjee and Nandy, 2005) calculate helicities of solar active regions based on the idea of Choudhuri (2003) that poloidal flux lines get wrapped around a toroidal flux tube rising through the convection zone, thereby giving rise to the helicity. Rough estimates based on this idea compare favourably with the observed magnitude of helicity. We use our solar dynamo model based on the Babcock--Leighton α-effect to study how helicity varies with latitude and time. At the time of solar maximum, our theoretical model gives negative helicity in the northern hemisphere and positive helicity in the south, in accordance with observed hemispheric trends. However, we find that, during a short interval at the beginning of a cycle, helicities tend to be opposite of the preferred hemispheric trends. Next we (Chatterjee, Choudhuri and Petrovay 2006) use the above idea along with the sunspot decay model of Petrovay and Moreno-Insertis, (1997) to estimate the distribution of helicity inside a flux tube as it keeps collecting more azimuthal flux during its rise through the convection zone and as turbulent diffusion keeps acting on it. By varying parameters over reasonable ranges in our simple 1-d model, we find that the azimuthal flux penetrates the flux tube to some extent instead of being confined to a narrow sheath outside.
Modeling of rolling element bearing mechanics. Theoretical manual
NASA Technical Reports Server (NTRS)
Merchant, David H.; Greenhill, Lyn M.
1994-01-01
This report documents the theoretical basis for the Rolling Element Bearing Analysis System (REBANS) analysis code which determines the quasistatic response to external loads or displacement of three types of high-speed rolling element bearings: angular contact ball bearings; duplex angular contact ball bearings; and cylindrical roller bearings. The model includes the effects of bearing ring and support structure flexibility. It is comprised of two main programs: the Preprocessor for Bearing Analysis (PREBAN) which creates the input files for the main analysis program; and Flexibility Enhanced Rolling Element Bearing Analysis (FEREBA), the main analysis program. A companion report addresses the input instructions for and features of the computer codes. REBANS extends the capabilities of the SHABERTH (Shaft and Bearing Thermal Analysis) code to include race and housing flexibility, including such effects as dead band and preload springs.
Modeling an Application's Theoretical Minimum and Average Transactional Response Times
Paiz, Mary Rose
2015-04-01
The theoretical minimum transactional response time of an application serves as a ba- sis for the expected response time. The lower threshold for the minimum response time represents the minimum amount of time that the application should take to complete a transaction. Knowing the lower threshold is beneficial in detecting anomalies that are re- sults of unsuccessful transactions. On the converse, when an application's response time falls above an upper threshold, there is likely an anomaly in the application that is causing unusual performance issues in the transaction. This report explains how the non-stationary Generalized Extreme Value distribution is used to estimate the lower threshold of an ap- plication's daily minimum transactional response time. It also explains how the seasonal Autoregressive Integrated Moving Average time series model is used to estimate the upper threshold for an application's average transactional response time.
Theoretical model for forming limit diagram predictions without initial inhomogeneity
NASA Astrophysics Data System (ADS)
Gologanu, Mihai; Comsa, Dan Sorin; Banabic, Dorel
2013-05-01
We report on our attempts to build a theoretical model for determining forming limit diagrams (FLD) based on limit analysis that, contrary to the well-known Marciniak and Kuczynski (M-K) model, does not assume the initial existence of a region with material or geometrical inhomogeneity. We first give a new interpretation based on limit analysis for the onset of necking in the M-K model. Considering the initial thickness defect along a narrow band as postulated by the M-K model, we show that incipient necking is a transition in the plastic mechanism from one of plastic flow in both the sheet and the band to another one where the sheet becomes rigid and all plastic deformation is localized in the band. We then draw on some analogies between the onset of necking in a sheet and the onset of coalescence in a porous bulk body. In fact, the main advance in coalescence modeling has been based on a similar limit analysis with an important new ingredient: the evolution of the spatial distribution of voids, due to the plastic deformation, creating weaker regions with higher porosity surrounded by sound regions with no voids. The onset of coalescence is precisely the transition from a mechanism of plastic deformation in both regions to another one, where the sound regions are rigid. We apply this new ingredient to a necking model based on limit analysis, for the first quadrant of the FLD and a porous sheet. We use Gurson's model with some recent extensions to model the porous material. We follow both the evolution of a homogeneous sheet and the evolution of the distribution of voids. At each moment we test for a potential change of plastic mechanism, by comparing the stresses in the uniform region to those in a virtual band with a larger porosity. The main difference with the coalescence of voids in a bulk solid is that the plastic mechanism for a sheet admits a supplementary degree of freedom, namely the change in the thickness of the virtual band. For strain ratios close to
Modeling postpartum depression in rats: theoretic and methodological issues
Ming, LI; Shinn-Yi, CHOU
2016-01-01
The postpartum period is when a host of changes occur at molecular, cellular, physiological and behavioral levels to prepare female humans for the challenge of maternity. Alteration or prevention of these normal adaptions is thought to contribute to disruptions of emotion regulation, motivation and cognitive abilities that underlie postpartum mental disorders, such as postpartum depression. Despite the high incidence of this disorder, and the detrimental consequences for both mother and child, its etiology and related neurobiological mechanisms remain poorly understood, partially due to the lack of appropriate animal models. In recent decades, there have been a number of attempts to model postpartum depression disorder in rats. In the present review, we first describe clinical symptoms of postpartum depression and discuss known risk factors, including both genetic and environmental factors. Thereafter, we discuss various rat models that have been developed to capture various aspects of this disorder and knowledge gained from such attempts. In doing so, we focus on the theories behind each attempt and the methods used to achieve their goals. Finally, we point out several understudied areas in this field and make suggestions for future directions. PMID:27469254
Modeling postpartum depression in rats: theoretic and methodological issues.
Li, Ming; Chou, Shinn-Yi
2016-07-18
The postpartum period is when a host of changes occur at molecular, cellular, physiological and behavioral levels to prepare female humans for the challenge of maternity. Alteration or prevention of these normal adaptions is thought to contribute to disruptions of emotion regulation, motivation and cognitive abilities that underlie postpartum mental disorders, such as postpartum depression. Despite the high incidence of this disorder, and the detrimental consequences for both mother and child, its etiology and related neurobiological mechanisms remain poorly understood, partially due to the lack of appropriate animal models. In recent decades, there have been a number of attempts to model postpartum depression disorder in rats. In the present review, we first describe clinical symptoms of postpartum depression and discuss known risk factors, including both genetic and environmental factors. Thereafter, we discuss various rat models that have been developed to capture various aspects of this disorder and knowledge gained from such attempts. In doing so, we focus on the theories behind each attempt and the methods used to achieve their goals. Finally, we point out several understudied areas in this field and make suggestions for future directions. PMID:27469254
Students' Levels of Understanding Models and Modelling in Biology: Global or Aspect-Dependent?
NASA Astrophysics Data System (ADS)
Krell, Moritz; Upmeier zu Belzen, Annette; Krüger, Dirk
2014-02-01
It is argued that knowledge about models is an important part of a profound understanding of Nature of Science. Consequently, researchers have developed different `levels of understanding' to analyse students', teachers', or experts' comprehension of this topic. In some approaches, global levels of understanding have been developed which mirror the idea of an understanding of models and modelling as a whole. Opposed to this, some authors have developed levels of understanding for distinct aspects concerning models and modelling in science (i.e. aspect-dependent levels). This points to an important issue for science education research since global conceptualisations might lead to less differentiated assessments and interventions than aspect-dependent ones. To contribute to this issue, the article summarises conceptualisations of both global and aspect-dependent levels of understanding models and modelling that have been developed in science education. Further, students' understanding of the aspects nature of models, multiple models, purpose of models, testing models, and changing models has been assessed ( N = 1,180; 11 to 19 years old; secondary schools; Berlin, Germany). It is discussed to what extent the data support the notion of global or aspect-dependent levels of understanding models and modelling in science. The results suggest that students seem to have a complex and at least partly inconsistent pattern of understanding models. Furthermore, students with high nonverbal intelligence and good marks seem to have a comparatively more consistent and more elaborated understanding of models and modelling than weaker students. Recommendations for assessment in science education research and teaching practice are made.
Chen, Z.; Schreyer, H.L.
1995-09-01
The response of underground structures and transportation facilities under various external loadings and environments is critical for human safety as well as environmental protection. Since quasi-brittle materials such as concrete and rock are commonly used for underground construction, the constitutive modeling of these engineering materials, including post-limit behaviors, is one of the most important aspects in safety assessment. From experimental, theoretical, and computational points of view, this report considers the constitutive modeling of quasi-brittle materials in general and concentrates on concrete in particular. Based on the internal variable theory of thermodynamics, the general formulations of plasticity and damage models are given to simulate two distinct modes of microstructural changes, inelastic flow and degradation of material strength and stiffness, that identify the phenomenological nonlinear behaviors of quasi-brittle materials. The computational aspects of plasticity and damage models are explored with respect to their effects on structural analyses. Specific constitutive models are then developed in a systematic manner according to the degree of completeness. A comprehensive literature survey is made to provide the up-to-date information on prediction of structural failures, which can serve as a reference for future research.
Computational Graph Theoretical Model of the Zebrafish Sensorimotor Pathway
NASA Astrophysics Data System (ADS)
Peterson, Joshua M.; Stobb, Michael; Mazzag, Bori; Gahtan, Ethan
2011-11-01
Mapping the detailed connectivity patterns of neural circuits is a central goal of neuroscience and has been the focus of extensive current research [4, 3]. The best quantitative approach to analyze the acquired data is still unclear but graph theory has been used with success [3, 1]. We present a graph theoretical model with vertices and edges representing neurons and synaptic connections, respectively. Our system is the zebrafish posterior lateral line sensorimotor pathway. The goal of our analysis is to elucidate mechanisms of information processing in this neural pathway by comparing the mathematical properties of its graph to those of other, previously described graphs. We create a zebrafish model based on currently known anatomical data. The degree distributions and small-world measures of this model is compared to small-world, random and 3-compartment random graphs of the same size (with over 2500 nodes and 160,000 connections). We find that the zebrafish graph shows small-worldness similar to other neural networks and does not have a scale-free distribution of connections.
Phenomenological aspects of no-scale inflation models
Ellis, John; Garcia, Marcos A.G.; Nanopoulos, Dimitri V.; Olive, Keith A.
2015-10-01
We discuss phenomenological aspects of inflationary models wiith a no-scale supergravity Kähler potential motivated by compactified string models, in which the inflaton may be identified either as a Kähler modulus or an untwisted matter field, focusing on models that make predictions for the scalar spectral index n{sub s} and the tensor-to-scalar ratio r that are similar to the Starobinsky model. We discuss possible patterns of soft supersymmetry breaking, exhibiting examples of the pure no-scale type m{sub 0}=B{sub 0}=A{sub 0}=0, of the CMSSM type with universal A{sub 0} and m{sub 0}≠0 at a high scale, and of the mSUGRA type with A{sub 0}=B{sub 0}+m{sub 0} boundary conditions at the high input scale. These may be combined with a non-trivial gauge kinetic function that generates gaugino masses m{sub 1/2}≠0, or one may have a pure gravity mediation scenario where trilinear terms and gaugino masses are generated through anomalies. We also discuss inflaton decays and reheating, showing possible decay channels for the inflaton when it is either an untwisted matter field or a Kähler modulus. Reheating is very efficient if a matter field inflaton is directly coupled to MSSM fields, and both candidates lead to sufficient reheating in the presence of a non-trivial gauge kinetic function.
Modeling aspects of human memory for scientific study.
Caudell, Thomas P.; Watson, Patrick; McDaniel, Mark A.; Eichenbaum, Howard B.; Cohen, Neal J.; Vineyard, Craig Michael; Taylor, Shawn Ellis; Bernard, Michael Lewis; Morrow, James Dan; Verzi, Stephen J.
2009-10-01
Working with leading experts in the field of cognitive neuroscience and computational intelligence, SNL has developed a computational architecture that represents neurocognitive mechanisms associated with how humans remember experiences in their past. The architecture represents how knowledge is organized and updated through information from individual experiences (episodes) via the cortical-hippocampal declarative memory system. We compared the simulated behavioral characteristics with those of humans measured under well established experimental standards, controlling for unmodeled aspects of human processing, such as perception. We used this knowledge to create robust simulations of & human memory behaviors that should help move the scientific community closer to understanding how humans remember information. These behaviors were experimentally validated against actual human subjects, which was published. An important outcome of the validation process will be the joining of specific experimental testing procedures from the field of neuroscience with computational representations from the field of cognitive modeling and simulation.
Graph theoretic modeling of large-scale semantic networks.
Bales, Michael E; Johnson, Stephen B
2006-08-01
During the past several years, social network analysis methods have been used to model many complex real-world phenomena, including social networks, transportation networks, and the Internet. Graph theoretic methods, based on an elegant representation of entities and relationships, have been used in computational biology to study biological networks; however they have not yet been adopted widely by the greater informatics community. The graphs produced are generally large, sparse, and complex, and share common global topological properties. In this review of research (1998-2005) on large-scale semantic networks, we used a tailored search strategy to identify articles involving both a graph theoretic perspective and semantic information. Thirty-one relevant articles were retrieved. The majority (28, 90.3%) involved an investigation of a real-world network. These included corpora, thesauri, dictionaries, large computer programs, biological neuronal networks, word association networks, and files on the Internet. Twenty-two of the 28 (78.6%) involved a graph comprised of words or phrases. Fifteen of the 28 (53.6%) mentioned evidence of small-world characteristics in the network investigated. Eleven (39.3%) reported a scale-free topology, which tends to have a similar appearance when examined at varying scales. The results of this review indicate that networks generated from natural language have topological properties common to other natural phenomena. It has not yet been determined whether artificial human-curated terminology systems in biomedicine share these properties. Large network analysis methods have potential application in a variety of areas of informatics, such as in development of controlled vocabularies and for characterizing a given domain. PMID:16442849
Electron Scale Solar Wind Turbulence: Cluster Observations and Theoretical Modeling
Sahraoui, F.; Goldstein, M. L.
2011-01-04
Turbulence at MagnetoHydroDynamics (MHD) scales of the solar wind has been studied for more than three decades, using data analyzes, theoretical and numerical modeling. However smaller scales have not been explored until very recently. Here, we review recent results on the first observation of cascade and dissipation of the solar wind turbulence at the electron scales. Thanks to the high resolution magnetic and electric field data of the Cluster spacecraft, we computed the spectra of turbulence up to {approx}100 Hz (in the spacecraft reference frame) and found two distinct breakpoints in the magnetic spectrum at 0.4 Hz and 35 Hz, which correspond, respectively, to the Doppler-shifted proton and electron gyroscales, f{sub {rho}p} and f{sub {rho}e}. Below f{sub {rho}p} the spectrum follows a Kolmogorov scaling f{sup -1.62}, typical of spectra observed at 1 AU. Above f{sub {rho}p} a second inertial range is formed with a scaling f{sup -2.3} down to f{sub {rho}e}. Above f{sub {rho}e} the spectrum has a steeper power law {approx}f{sup -4.1} down to the noise level of the instrument. Solving numerically the linear Maxwell-Vlasov equations combined with recent theoretical predictions of the Gyro-Kinetic theory, we show that the present results are fully consistent with a scenario of a quasi-two-dimensional cascade into Kinetic Alfven modes (KAW).
Improvements to Nuclear Data and Its Uncertainties by Theoretical Modeling
Danon, Yaron; Nazarewicz, Witold; Talou, Patrick
2013-02-18
This project addresses three important gaps in existing evaluated nuclear data libraries that represent a significant hindrance against highly advanced modeling and simulation capabilities for the Advanced Fuel Cycle Initiative (AFCI). This project will: Develop advanced theoretical tools to compute prompt fission neutrons and gamma-ray characteristics well beyond average spectra and multiplicity, and produce new evaluated files of U and Pu isotopes, along with some minor actinides; Perform state-of-the-art fission cross-section modeling and calculations using global and microscopic model input parameters, leading to truly predictive fission cross-sections capabilities. Consistent calculations for a suite of Pu isotopes will be performed; Implement innovative data assimilation tools, which will reflect the nuclear data evaluation process much more accurately, and lead to a new generation of uncertainty quantification files. New covariance matrices will be obtained for Pu isotopes and compared to existing ones. The deployment of a fleet of safe and efficient advanced reactors that minimize radiotoxic waste and are proliferation-resistant is a clear and ambitious goal of AFCI. While in the past the design, construction and operation of a reactor were supported through empirical trials, this new phase in nuclear energy production is expected to rely heavily on advanced modeling and simulation capabilities. To be truly successful, a program for advanced simulations of innovative reactors will have to develop advanced multi-physics capabilities, to be run on massively parallel super- computers, and to incorporate adequate and precise underlying physics. And all these areas have to be developed simultaneously to achieve those ambitious goals. Of particular interest are reliable fission cross-section uncertainty estimates (including important correlations) and evaluations of prompt fission neutrons and gamma-ray spectra and uncertainties.
A theoretical model for the Lorentz force particle analyzer
NASA Astrophysics Data System (ADS)
Moreau, René; Tao, Zhen; Wang, Xiaodong
2016-07-01
In a previous paper [X. Wang et al., J. Appl. Phys. 120, 014903 (2016)], several experimental devices have been presented, which demonstrate the efficiency of electromagnetic techniques for detecting and sizing electrically insulating particles entrained in the flow of a molten metal. In each case, a non-uniform magnetic field is applied across the flow of the electrically conducting liquid, thereby generating a braking Lorentz force on this moving medium and a reaction force on the magnet, which tends to be entrained in the flow direction. The purpose of this letter is to derive scaling laws for this Lorentz force from an elementary theoretical model. For simplicity, as in the experiments, the flowing liquid is modeled as a solid body moving with a uniform velocity U. The eddy currents in the moving domain are derived from the classic induction equation and Ohm's law, and expressions for the Lorentz force density j ×B and for its integral over the entire moving domain follow. The insulating particles that are eventually present and entrained with this body are then treated as small disturbances in a classic perturbation analysis, thereby leading to scaling laws for the pulses they generate in the Lorentz force. The purpose of this letter is both to illustrate the eddy currents without and with insulating particles in the electrically conducting liquid and to derive a key relation between the pulses in the Lorentz force and the main parameters (particle volume and dimensions of the region subjected to the magnetic field).
A game theoretic model of drug launch in India.
Bhaduri, Saradindu; Ray, Amit Shovon
2006-01-01
There is a popular belief that drug launch is delayed in developing countries like India because of delayed transfer of technology due to a 'post-launch' imitation threat through weak intellectual property rights (IPR). In fact, this belief has been a major reason for the imposition of the Trade Related Intellectual Property Rights regime under the WTO. This construct undermines the fact that in countries like India, with high reverse engineering capabilities, imitation can occur even before the formal technology transfer, and fails to recognize the first mover advantage in pharmaceutical markets. This paper argues that the first mover advantage is important and will vary across therapeutic areas, especially in developing countries with diverse levels of patient enlightenment and quality awareness. We construct a game theoretic model of incomplete information to examine the delay in drug launch in terms of costs and benefits of first move, assumed to be primarily a function of the therapeutic area of the new drug. Our model shows that drug launch will be delayed only for external (infective/communicable) diseases, while drugs for internal, non-communicable diseases (accounting for the overwhelming majority of new drug discovery) will be launched without delay. PMID:18634701
Theoretical model of prion propagation: a misfolded protein induces misfolding.
Małolepsza, Edyta; Boniecki, Michal; Kolinski, Andrzej; Piela, Lucjan
2005-05-31
There is a hypothesis that dangerous diseases such as bovine spongiform encephalopathy, Creutzfeldt-Jakob, Alzheimer's, fatal familial insomnia, and several others are induced by propagation of wrong or misfolded conformations of some vital proteins. If for some reason the misfolded conformations were acquired by many such protein molecules it might lead to a "conformational" disease of the organism. Here, a theoretical model of the molecular mechanism of such a conformational disease is proposed, in which a metastable (or misfolded) form of a protein induces a similar misfolding of another protein molecule (conformational autocatalysis). First, a number of amino acid sequences composed of 32 aa have been designed that fold rapidly into a well defined native-like alpha-helical conformation. From a large number of such sequences a subset of 14 had a specific feature of their energy landscape, a well defined local energy minimum (higher than the global minimum for the alpha-helical fold) corresponding to beta-type structure. Only one of these 14 sequences exhibited a strong autocatalytic tendency to form a beta-sheet dimer capable of further propagation of protofibril-like structure. Simulations were done by using a reduced, although of high resolution, protein model and the replica exchange Monte Carlo sampling procedure. PMID:15911770
Theoretical model of prion propagation: A misfolded protein induces misfolding
Małolepsza, Edyta; Boniecki, Michał; Kolinski, Andrzej; Piela, Lucjan
2005-01-01
There is a hypothesis that dangerous diseases such as bovine spongiform encephalopathy, Creutzfeldt-Jakob, Alzheimer's, fatal familial insomnia, and several others are induced by propagation of wrong or misfolded conformations of some vital proteins. If for some reason the misfolded conformations were acquired by many such protein molecules it might lead to a “conformational” disease of the organism. Here, a theoretical model of the molecular mechanism of such a conformational disease is proposed, in which a metastable (or misfolded) form of a protein induces a similar misfolding of another protein molecule (conformational autocatalysis). First, a number of amino acid sequences composed of 32 aa have been designed that fold rapidly into a well defined native-like α-helical conformation. From a large number of such sequences a subset of 14 had a specific feature of their energy landscape, a well defined local energy minimum (higher than the global minimum for the α-helical fold) corresponding to β-type structure. Only one of these 14 sequences exhibited a strong autocatalytic tendency to form a β-sheet dimer capable of further propagation of protofibril-like structure. Simulations were done by using a reduced, although of high resolution, protein model and the replica exchange Monte Carlo sampling procedure. PMID:15911770
The neural mediators of kindness-based meditation: a theoretical model.
Mascaro, Jennifer S; Darcher, Alana; Negi, Lobsang T; Raison, Charles L
2015-01-01
Although kindness-based contemplative practices are increasingly employed by clinicians and cognitive researchers to enhance prosocial emotions, social cognitive skills, and well-being, and as a tool to understand the basic workings of the social mind, we lack a coherent theoretical model with which to test the mechanisms by which kindness-based meditation may alter the brain and body. Here, we link contemplative accounts of compassion and loving-kindness practices with research from social cognitive neuroscience and social psychology to generate predictions about how diverse practices may alter brain structure and function and related aspects of social cognition. Contingent on the nuances of the practice, kindness-based meditation may enhance the neural systems related to faster and more basic perceptual or motor simulation processes, simulation of another's affective body state, slower and higher-level perspective-taking, modulatory processes such as emotion regulation and self/other discrimination, and combinations thereof. This theoretical model will be discussed alongside best practices for testing such a model and potential implications and applications of future work. PMID:25729374
The neural mediators of kindness-based meditation: a theoretical model
Mascaro, Jennifer S.; Darcher, Alana; Negi, Lobsang T.; Raison, Charles L.
2015-01-01
Although kindness-based contemplative practices are increasingly employed by clinicians and cognitive researchers to enhance prosocial emotions, social cognitive skills, and well-being, and as a tool to understand the basic workings of the social mind, we lack a coherent theoretical model with which to test the mechanisms by which kindness-based meditation may alter the brain and body. Here, we link contemplative accounts of compassion and loving-kindness practices with research from social cognitive neuroscience and social psychology to generate predictions about how diverse practices may alter brain structure and function and related aspects of social cognition. Contingent on the nuances of the practice, kindness-based meditation may enhance the neural systems related to faster and more basic perceptual or motor simulation processes, simulation of another’s affective body state, slower and higher-level perspective-taking, modulatory processes such as emotion regulation and self/other discrimination, and combinations thereof. This theoretical model will be discussed alongside best practices for testing such a model and potential implications and applications of future work. PMID:25729374
Empirical STORM-E Model. [I. Theoretical and Observational Basis
NASA Technical Reports Server (NTRS)
Mertens, Christopher J.; Xu, Xiaojing; Bilitza, Dieter; Mlynczak, Martin G.; Russell, James M., III
2013-01-01
Auroral nighttime infrared emission observed by the Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) instrument onboard the Thermosphere-Ionosphere-Mesosphere Energetics and Dynamics (TIMED) satellite is used to develop an empirical model of geomagnetic storm enhancements to E-region peak electron densities. The empirical model is called STORM-E and will be incorporated into the 2012 release of the International Reference Ionosphere (IRI). The proxy for characterizing the E-region response to geomagnetic forcing is NO+(v) volume emission rates (VER) derived from the TIMED/SABER 4.3 lm channel limb radiance measurements. The storm-time response of the NO+(v) 4.3 lm VER is sensitive to auroral particle precipitation. A statistical database of storm-time to climatological quiet-time ratios of SABER-observed NO+(v) 4.3 lm VER are fit to widely available geomagnetic indices using the theoretical framework of linear impulse-response theory. The STORM-E model provides a dynamic storm-time correction factor to adjust a known quiescent E-region electron density peak concentration for geomagnetic enhancements due to auroral particle precipitation. Part II of this series describes the explicit development of the empirical storm-time correction factor for E-region peak electron densities, and shows comparisons of E-region electron densities between STORM-E predictions and incoherent scatter radar measurements. In this paper, Part I of the series, the efficacy of using SABER-derived NO+(v) VER as a proxy for the E-region response to solar-geomagnetic disturbances is presented. Furthermore, a detailed description of the algorithms and methodologies used to derive NO+(v) VER from SABER 4.3 lm limb emission measurements is given. Finally, an assessment of key uncertainties in retrieving NO+(v) VER is presented
Martian weathering processes: Terrestrial analog and theoretical modeling studies
NASA Astrophysics Data System (ADS)
McAdam, Amy Catherine
2008-06-01
Understanding the role of water in the Martian near-surface, and its implications for possible habitable environments, is among the highest priorities of NASA's Mars Exploration Program. Characterization of alteration signatures in surface materials provides the best opportunity to assess the role of water on Mars. This dissertation investigates Martian alteration processes through analyses of Antarctic analogs and numerical modeling of mineral-fluid interactions. Analog work involved studying an Antarctic diabase, and associated soils, as Mars analogs to understand weathering processes in cold, dry environments. The soils are dominated by primary basaltic minerals, but also contain phyllosilicates, salts, iron oxides/oxyhydroxides, and zeolites. Soil clay minerals and zeolites, formed primarily during deuteric or hydrothermal alteration of the parent rock, were subsequently transferred to the soil by physical rock weathering. Authigenic soil iron oxides/oxyhydroxides and small amounts of poorly-ordered secondary silicates indicate some contributions from low-temperature aqueous weathering. Soil sulfates, which exhibit a sulfate- aerosol-derived mass-independent oxygen isotope signature, suggest contributions from acid aerosol-rock interactions. The complex alteration history of the Antarctic materials resulted in several similarities to Martian materials. The processes that affected the analogs, including deuteric/ hydrothermal clay formation, may be important in producing Martian surface materials. Theoretical modeling focused on investigating the alteration of Martian rocks under acidic conditions and using modeling results to interpret Martian observations. Kinetic modeling of the dissolution of plagioclase-pyroxene mineral mixtures under acidic conditions suggested that surfaces with high plagioclase/pyroxene, such as several northern regions, could have experienced some preferential dissolution of pyroxenes at a pH less than approximately 3-4. Modeling of the
Multiscale modeling of lithium ion batteries: thermal aspects
Zausch, Jochen
2015-01-01
Summary The thermal behavior of lithium ion batteries has a huge impact on their lifetime and the initiation of degradation processes. The development of hot spots or large local overpotentials leading, e.g., to lithium metal deposition depends on material properties as well as on the nano- und microstructure of the electrodes. In recent years a theoretical structure emerges, which opens the possibility to establish a systematic modeling strategy from atomistic to continuum scale to capture and couple the relevant phenomena on each scale. We outline the building blocks for such a systematic approach and discuss in detail a rigorous approach for the continuum scale based on rational thermodynamics and homogenization theories. Our focus is on the development of a systematic thermodynamically consistent theory for thermal phenomena in batteries at the microstructure scale and at the cell scale. We discuss the importance of carefully defining the continuum fields for being able to compare seemingly different phenomenological theories and for obtaining rules to determine unknown parameters of the theory by experiments or lower-scale theories. The resulting continuum models for the microscopic and the cell scale are numerically solved in full 3D resolution. The complex very localized distributions of heat sources in a microstructure of a battery and the problems of mapping these localized sources on an averaged porous electrode model are discussed by comparing the detailed 3D microstructure-resolved simulations of the heat distribution with the result of the upscaled porous electrode model. It is shown, that not all heat sources that exist on the microstructure scale are represented in the averaged theory due to subtle cancellation effects of interface and bulk heat sources. Nevertheless, we find that in special cases the averaged thermal behavior can be captured very well by porous electrode theory. PMID:25977870
Sequence design in lattice models by graph theoretical methods
NASA Astrophysics Data System (ADS)
Sanjeev, B. S.; Patra, S. M.; Vishveshwara, S.
2001-01-01
A general strategy has been developed based on graph theoretical methods, for finding amino acid sequences that take up a desired conformation as the native state. This problem of inverse design has been addressed by assigning topological indices for the monomer sites (vertices) of the polymer on a 3×3×3 cubic lattice. This is a simple design strategy, which takes into account only the topology of the target protein and identifies the best sequence for a given composition. The procedure allows the design of a good sequence for a target native state by assigning weights for the vertices on a lattice site in a given conformation. It is seen across a variety of conformations that the predicted sequences perform well both in sequence and in conformation space, in identifying the target conformation as native state for a fixed composition of amino acids. Although the method is tested in the framework of the HP model [K. F. Lau and K. A. Dill, Macromolecules 22, 3986 (1989)] it can be used in any context if proper potential functions are available, since the procedure derives unique weights for all the sites (vertices, nodes) of the polymer chain of a chosen conformation (graph).
Thermophotonic heat pump—a theoretical model and numerical simulations
NASA Astrophysics Data System (ADS)
Oksanen, Jani; Tulkki, Jukka
2010-05-01
We have recently proposed a solid state heat pump based on photon mediated heat transfer between two large-area light emitting diodes coupled by the electromagnetic field and enclosed in a semiconductor structure with a nearly homogeneous refractive index. Ideally the thermophotonic heat pump (THP) allows heat transfer at Carnot efficiency but in reality there are several factors that limit the efficiency. The efficient operation of the THP is based on the following construction factors and operational characteristics: (1) broad area semiconductor diodes to enable operation at optimal carrier density and high efficiency, (2) recycling of the energy of the emitted photons, (3) elimination of photon extraction losses by integrating the emitting and the absorbing diodes within a single semiconductor structure, and (4) eliminating the reverse thermal conduction by a nanometer scale vacuum layer between the diodes. In this paper we develop a theoretical model for the THP and study the fundamental physical limitations and potential of the concept. The results show that even when the most important losses of the THPs are accounted for, the THP has potential to outperform the thermoelectric coolers especially for heat transfer across large temperature differences and possibly even to compete with conventional small scale compressor based heat pumps.
A Game-Theoretic Model of Marketing Skin Whiteners.
Mendoza, Roger Lee
2015-01-01
Empirical studies consistently find that people in less developed countries tend to regard light or "white" skin, particularly among women, as more desirable or superior. This is a study about the marketing of skin whiteners in these countries, where over 80 percent of users are typically women. It proceeds from the following premises: a) Purely market or policy-oriented approaches toward the risks and harms of skin whitening are cost-inefficient; b) Psychosocial and informational factors breed uninformed and risky consumer choices that favor toxic skin whiteners; and c) Proliferation of toxic whiteners in a competitive buyer's market raises critical supplier accountability issues. Is intentional tort a rational outcome of uncooperative game equilibria? Can voluntary cooperation nonetheless evolve between buyers and sellers of skin whiteners? These twin questions are key to addressing the central paradox in this study: A robust and expanding buyer's market, where cheap whitening products abound at a high risk to personal and societal health and safety. Game-theoretic modeling of two-player and n-player strategic interactions is proposed in this study for both its explanatory and predictive value. Therein also lie its practical contributions to the economic literature on skin whitening. PMID:26565686
Network-theoretic approach to model vortex interactions
NASA Astrophysics Data System (ADS)
Nair, Aditya; Taira, Kunihiko
2014-11-01
We present a network-theoretic approach to describe a system of point vortices in two-dimensional flow. By considering the point vortices as nodes, a complete graph is constructed with edges connecting each vortex to every other vortex. The interactions between the vortices are captured by the graph edge weights. We employ sparsification techniques on these graph representations based on spectral theory to construct sparsified models of the overall vortical interactions. The edge weights are redistributed through spectral sparsification of the graph such that the sum of the interactions associated with each vortex is maintained constant. In addition, sparse configurations maintain similar spectral properties as the original setup. Through the reduction in the number of interactions, key vortex interactions can be highlighted. Identification of vortex structures based on graph sparsification is demonstrated with an example of clusters of point vortices. We also evaluate the computational performance of sparsification for large collection of point vortices. Work supported by US Army Research Office (W911NF-14-1-0386) and US Air Force Office of Scientific Research (YIP: FA9550-13-1-0183).
NASA Astrophysics Data System (ADS)
Uhlmann, Gunther
2008-07-01
This volume represents the proceedings of the fourth Applied Inverse Problems (AIP) international conference and the first congress of the Inverse Problems International Association (IPIA) which was held in Vancouver, Canada, June 25 29, 2007. The organizing committee was formed by Uri Ascher, University of British Columbia, Richard Froese, University of British Columbia, Gary Margrave, University of Calgary, and Gunther Uhlmann, University of Washington, chair. The conference was part of the activities of the Pacific Institute of Mathematical Sciences (PIMS) Collaborative Research Group on inverse problems (http://www.pims.math.ca/scientific/collaborative-research-groups/past-crgs). This event was also supported by grants from NSF and MITACS. Inverse Problems (IP) are problems where causes for a desired or an observed effect are to be determined. They lie at the heart of scientific inquiry and technological development. The enormous increase in computing power and the development of powerful algorithms have made it possible to apply the techniques of IP to real-world problems of growing complexity. Applications include a number of medical as well as other imaging techniques, location of oil and mineral deposits in the earth's substructure, creation of astrophysical images from telescope data, finding cracks and interfaces within materials, shape optimization, model identification in growth processes and, more recently, modelling in the life sciences. The series of Applied Inverse Problems (AIP) Conferences aims to provide a primary international forum for academic and industrial researchers working on all aspects of inverse problems, such as mathematical modelling, functional analytic methods, computational approaches, numerical algorithms etc. The steering committee of the AIP conferences consists of Heinz Engl (Johannes Kepler Universität, Austria), Joyce McLaughlin (RPI, USA), William Rundell (Texas A&M, USA), Erkki Somersalo (Helsinki University of Technology
NASA Astrophysics Data System (ADS)
Uhlmann, Gunther
2008-07-01
This volume represents the proceedings of the fourth Applied Inverse Problems (AIP) international conference and the first congress of the Inverse Problems International Association (IPIA) which was held in Vancouver, Canada, June 25 29, 2007. The organizing committee was formed by Uri Ascher, University of British Columbia, Richard Froese, University of British Columbia, Gary Margrave, University of Calgary, and Gunther Uhlmann, University of Washington, chair. The conference was part of the activities of the Pacific Institute of Mathematical Sciences (PIMS) Collaborative Research Group on inverse problems (http://www.pims.math.ca/scientific/collaborative-research-groups/past-crgs). This event was also supported by grants from NSF and MITACS. Inverse Problems (IP) are problems where causes for a desired or an observed effect are to be determined. They lie at the heart of scientific inquiry and technological development. The enormous increase in computing power and the development of powerful algorithms have made it possible to apply the techniques of IP to real-world problems of growing complexity. Applications include a number of medical as well as other imaging techniques, location of oil and mineral deposits in the earth's substructure, creation of astrophysical images from telescope data, finding cracks and interfaces within materials, shape optimization, model identification in growth processes and, more recently, modelling in the life sciences. The series of Applied Inverse Problems (AIP) Conferences aims to provide a primary international forum for academic and industrial researchers working on all aspects of inverse problems, such as mathematical modelling, functional analytic methods, computational approaches, numerical algorithms etc. The steering committee of the AIP conferences consists of Heinz Engl (Johannes Kepler Universität, Austria), Joyce McLaughlin (RPI, USA), William Rundell (Texas A&M, USA), Erkki Somersalo (Helsinki University of Technology
Theoretical model for electrophilic oxygen atom insertion into hydrocarbons
Bach, R.D.; Su, M.D. ); Andres, J.L. Wayne State Univ., Detroit, MI ); McDouall, J.J.W. )
1993-06-30
A theoretical model suggesting the mechanistic pathway for the oxidation of saturated-alkanes to their corresponding alcohols and ketones is described. Water oxide (H[sub 2]O-O) is employed as a model singlet oxygen atom donor. Molecular orbital calculations with the 6-31G basis set at the MP2, QCISD, QCISD(T), CASSCF, and MRCI levels of theory suggest that oxygen insertion by water oxide occurs by the interaction of an electrophilic oxygen atom with a doubly occupied hydrocarbon fragment orbital. The electrophilic oxygen approaches the hydrocarbon along the axis of the atomic carbon p orbital comprising a [pi]-[sub CH(2)] or [pi]-[sub CHCH(3)] fragment orbital to form a carbon-oxygen [sigma] bond. A concerted hydrogen migration to an adjacent oxygen lone pair of electrons affords the alcohol insertion product in a stereoselective fashion with predictable stereochemistry. Subsequent oxidation of the alcohol to a ketone (or aldehyde) occurs in a similar fashion and has a lower activation barrier. The calculated (MP4/6-31G*//MP2/6-31G*) activation barriers for oxygen atom insertion into the C-H bonds of methane, ethane, propane, butane, isobutane, and methanol are 10.7, 8.2, 3.9, 4.8, 4.5, and 3.3 kcal/mol, respectively. We use ab initio molecular orbital calculations in support of a frontier MO theory that provides a unique rationale for both the stereospecificity and the stereoselectivity of insertion of electrophilic oxygen and related electrophiles into the carbon-hydrogen bond. 13 refs., 7 figs., 2 tabs.
ERIC Educational Resources Information Center
Markon, Kristian E.; Krueger, Robert F.
2006-01-01
Distinguishing between discrete and continuous latent variable distributions has become increasingly important in numerous domains of behavioral science. Here, the authors explore an information-theoretic approach to latent distribution modeling, in which the ability of latent distribution models to represent statistical information in observed…
A New Theoretical Model of Big-Bang Evidence as a Consequence of Global Symmetry Breakdown
NASA Astrophysics Data System (ADS)
Avetissian, Ara K.
2007-08-01
Problems and hardships in identification and understanding of physical quintessence of several phenomena in Cosmology such are Big-Bang of tremendously dense and hot matter with Baryons' asymmetry, Hubble's expansion Law, Cosmic Microwave Radiation, Dark Energy and Dark Matter, obviously require alternative investigations of additional theoretical aspects and corresponding models of early Universe both for Radiation and Baryonic periods. According to this aspiration and taking into consideration results from Wilkinson Microwave Anisotropy Probe one postulate an assumption of possibility of baryons (may be also antibaryons!) Bose-Einstein condensation in the early Universe due to their Cooper-pairing. The thermodynamical equilibrium between extrahigh energy photons and Bose-condensed baryonic matter is consider and evaluate the macro-parameters of the possible hydrostatic stable baryonic configuration of Universal scale. A new theoretical model of Big-Bang evidence is predicted as a consequence of Global Symmetry breakdown from the Bose-Einstein statistics to Fermi-Dirac one when the matter pressure due to Pauli exclusion principle spasmodically increasing outside more than 2.5×10^5 times.
Theoretical study on the inverse modeling of deep body temperature measurement.
Huang, Ming; Chen, Wenxi
2012-03-01
We evaluated the theoretical aspects of monitoring the deep body temperature distribution with the inverse modeling method. A two-dimensional model was built based on anatomical structure to simulate the human abdomen. By integrating biophysical and physiological information, the deep body temperature distribution was estimated from cutaneous surface temperature measurements using an inverse quasilinear method. Simulations were conducted with and without the heat effect of blood perfusion in the muscle and skin layers. The results of the simulations showed consistently that the noise characteristics and arrangement of the temperature sensors were the major factors affecting the accuracy of the inverse solution. With temperature sensors of 0.05 °C systematic error and an optimized 16-sensor arrangement, the inverse method could estimate the deep body temperature distribution with an average absolute error of less than 0.20 °C. The results of this theoretical study suggest that it is possible to reconstruct the deep body temperature distribution with the inverse method and that this approach merits further investigation. PMID:22370094
String Theoretic Toy Models of the Big Bang
NASA Astrophysics Data System (ADS)
Michelson, Jeremy
2006-03-01
Recently, examples of toy cosmologies have been found that are exact solutions of String Theory. These solutions have the feature that the theoretical framework permits reliable calculation arbitrarily close to the big bang singularity. Thus one can understand both the big bang, and late time physics. I will describe these toy cosmologies, and how they fit into String Theory's chains of equivalences between gravitational and nongravitational theories. These equivalences are the means by which one theoretically probes the big bang.
ERIC Educational Resources Information Center
Krell, Moritz; Krüger, Dirk
2016-01-01
This study investigated biology teachers' (N = 148) understanding of models and modelling (MoMo), their model-related teaching activities and relations between the two. A framework which distinguishes five aspects of MoMo in science ("nature of models," "multiple models," "purpose of models," "testing…
Study of modeling aspects of long period fiber grating using three-layer fiber geometry
NASA Astrophysics Data System (ADS)
Singh, Amit
2015-03-01
The author studied and demonstrated the various modeling aspects of long period fiber grating (LPFG) such as the core effective index, cladding effective index, coupling coefficient, coupled mode theory, and transmission spectrum of the LPFG using three-layer fiber geometry. Actually, there are two different techniques used for theoretical modeling of the long period fiber grating. The first technique was used by Vengsarkar et al who described the phenomenon of long-period fiber gratings, and the second technique was reported by Erdogan who revealed the inaccuracies and shortcomings of the original method, thereby providing an accurate and updated alternative. The main difference between these two different approaches lies in their fiber geometry. Venserkar et al used two-layer fiber geometry which is simple but employs weakly guided approximation, whereas Erdogan used three-layer fiber geometry which is complex but also the most accurate technique for theoretical study of the LPFG. The author further discussed about the behavior of the transmission spectrum by altering different grating parameters such as the grating length, ultraviolet (UV) induced-index change, and grating period to achieve the desired flexibility. The author simulated the various results with the help of MATLAB.
Mathematical modeling of synergetic aspects of machine building enterprise management
NASA Astrophysics Data System (ADS)
Kazakov, O. D.; Andriyanov, S. V.
2016-04-01
The multivariate method of determining the optimal values of leading key performance indicators of production divisions of machine-building enterprises in the aspect of synergetics has been worked out.
A theoretical model of grainsize evolution during deformation
NASA Astrophysics Data System (ADS)
Ricard, Y.; Bercovici, D.; Rozel, A.
2007-12-01
Lithospheric shear localization, as occurs in the formation of tectonic plate boundaries, is often associated with diminished grainsize (e.g., mylonites). Grainsize reduction is typically attributed to dynamic recrystallization; however, theoretical models of shear-localization arising from this hypothesis are problematic since (1) they require the simultaneous action of two exclusive creep mechanisms (diffusion and dislocation creep), and (2) the grain-growth ("healing") laws employed by these models are derived from static grain-growth or coarsening theory, although the shear-localization setting itself is far from static equilibrium. We present a new first-principles grained-continuum theory which accounts for both coarsening and damage-induced grainsize reduction. Damage per se is the generic process for generation of microcracks, defects, dislocations (including recrystallization), subgrains, nucleii and cataclastic breakdown of grains. The theory contains coupled statistical grain-scale and continuum macroscopic components. The grain-scale element of the theory prescribes both the evolution of the grainsize distribution, and a phenomenological grain-growth law derived from non-equilibrium thermodynamics; grain-growth thus incorporates the free energy differences between grains, including both grain-boundary surface energy (which controls coarsening) and the contribution of deformational work to these free energiesconservation and positivity of entropy production provide the phenomenological law for the statistical grain-growth law. We identify four potential mechanisms that affect the distribution of grainsize; two of them conserve the number of grains but change their relative masses and two of them change the number of grains by sticking them together or breaking them. In the limit of static equilibrium, only the two mechanisms that increase the average grainsize are allowed by the second law of thermodynamics. The first one is a diffusive mass transport
A theoretical microbial contamination model for a human Mars mission
NASA Astrophysics Data System (ADS)
Lupisella, Mark Lewis
Contamination from a human presence on Mars could significantly compromise the search for extraterrestrial life. In particular, the difficulties in controlling microbial contamination, the potential for terrestrial microbes to grow, evolve, compete, and modify the Martian environment, and the likely microbial nature of putative Martian life, make microbial contamination worthy of focus as we begin to plan for a human mission to Mars. This dissertation describes a relatively simple theoretical model that can be used to explore how microbial contamination from a human Mars mission might survive and grow in the Martian soil environment surrounding a habitat. A user interface has been developed to allow a general practitioner to choose values and functions for almost all parameters ranging from the number of astronauts to the half-saturation constants for microbial growth. Systematic deviations from a baseline set of parameter values are explored as potential plausible scenarios for the first human Mars missions. The total viable population and population density are the primary state variables of interest, but other variables such as the total number of births and total dead and viable microbes are also tracked. The general approach was to find the most plausible parameter value combinations that produced a population density of 1 microbe/cm3 or greater, a threshold that was used to categorize the more noteworthy populations for subsequent analysis. Preliminary assessments indicate that terrestrial microbial contamination resulting from leakage from a limited human mission (perhaps lasting up to 5 months) will not likely become a problematic population in the near-term as long as reasonable contamination control measures are implemented (for example, a habitat leak rate no greater than 1% per hour). However, there appear to be plausible, albeit unlikely, scenarios that could cause problematic populations, depending in part on (a) the initial survival fraction and
Dumont, Grégory; Henry, Jacques; Tarniceriu, Carmen Oana
2016-10-01
Identifying the right tools to express the stochastic aspects of neural activity has proven to be one of the biggest challenges in computational neuroscience. Even if there is no definitive answer to this issue, the most common procedure to express this randomness is the use of stochastic models. In accordance with the origin of variability, the sources of randomness are classified as intrinsic or extrinsic and give rise to distinct mathematical frameworks to track down the dynamics of the cell. While the external variability is generally treated by the use of a Wiener process in models such as the Integrate-and-Fire model, the internal variability is mostly expressed via a random firing process. In this paper, we investigate how those distinct expressions of variability can be related. To do so, we examine the probability density functions to the corresponding stochastic models and investigate in what way they can be mapped one to another via integral transforms. Our theoretical findings offer a new insight view into the particular categories of variability and it confirms that, despite their contrasting nature, the mathematical formalization of internal and external variability is strikingly similar. PMID:27334547
Presenting a Theoretical Model of Four Conceptions of Civic Education
ERIC Educational Resources Information Center
Cohen, Aviv
2010-01-01
This conceptual study will question the ways different epistemological conceptions of citizenship and education influence the characteristics of civic education. While offering a new theoretical framework, the different undercurrent conceptions that lay at the base of the civic education process shall be brought forth. With the use of the method…
Pathways in coal thermolysis: a theoretical and experimental study with model compounds
Ekpenyong, I.A.; Virk, P.S.
1982-01-01
Fundamental aspects of coal thermolysis were investigated, including how the chemical structures of aromatics, hydroaromatics, and alcohols affect their reactivities as hydrogen donors and acceptors in coal processing. The susceptibilities of substructural entities in coals to fragmentation via a number of thermal pericyclic and free radical mechanisms were probed, as were the factors governing relative reactivities within series of such coal model compounds. The theoretical part of the work applied perturbation molecular orbital (PMO) and frontier orbital theories, in conjunction with ..pi..- and pseudo-..pi.. MO's, to the study of model compound reactivity. This enabled prediction of reactivity patterns of H-donors, H-acceptors and coal-like structures as functions of their ..pi..- and sigma-bond configurations, including heteroatomic effects. Experimentally, the liquid phase reactions of the coal model compound PhOCH/sub 2/Ph (Benzyl phenyl ether, BPE) were detailed for the first time in each of four hydronaphthalene H-donor solvents in the temperature range 220/sup 0/ to 300/sup 0/C. The thermolysis of BPE exhibited a pronounced dependence on solvent structure, both with respect to product selectivities and reaction kinetics. BPE thermolysis pathways were delineated as involving (a) rearrangement, leading to isomerization, (b) hydrogenations, leading ultimately to PhOH and PhCH/sub 3/ products, and (c) addition reactions, engendering heavy products. Pathways (b) and (c) are competitive and, in each, self-reactions of BPE-derivatives vie against reactions between these and the donor solvent. Of the detailed free radical and pericyclic reaction mechanisms postulated, the latter rationalized many more facets of the BPE results than the former. The theoretical and experimental results were appraised against previous coal thermolysis literature.
Suggestion for a theoretical model for secondary-tertiary transition in mathematics
NASA Astrophysics Data System (ADS)
Clark, Megan; Lovric, Miroslav
2008-09-01
One of most notable features of existing body of research in transition seems to be the absence of a theoretical model. The suggestion we present in this paper—to view and understand the high school to university transition in mathematics as a modern-day rite of passage—is an attempt at defining such framework. Although dominantly reflecting North-American reality, we believe that the model could be found useful in other countries as well. Let us emphasize that our model is not new in the sense that it recognizes the transition as such. In this paper, we try to determine whether (and, if so, how) the notion of a rite of passage—which is a well-understood concept in anthropology, as well as in some other disciplines (e.g. culture shock in cultural studies)—can help us understand mathematics transition issues better. Can it help us systematize existing body of research, and enhance our understanding of transition in mathematics; does it point at something new? We believe so, and by elaborating some traditional aspects of rites of passage, we hope to provide a useful lens through which we can examine the process of transition in mathematics, and make suggestions for improved management of some transitional issues.
ERIC Educational Resources Information Center
Farran, Carol J.
1997-01-01
Uses an existentialist perspective to examine the current empirical stress/adaptation model that guides caregiving of persons with dementia. Compares and contrasts key elements, strengths, and limitations of each model and isolates areas of convergence/divergence in both perspectives. Identifies implications for future theory development,…
A Dual Aspect Process Model of Intensive Interaction
ERIC Educational Resources Information Center
Firth, Graham
2009-01-01
Intensive Interaction is an empirically researched approach to developing fundamental communication and sociability for people with severe and profound learning disabilities and/or autism. However, it is the author's contention that certain aspects of Intensive Interaction are not universally conceptualised in a uniform manner, and that there are…
Faroongsarng, Damrongsak
2016-06-01
Although differential scanning calorimetry (DSC) is a non-equilibrium technique, it has been used to gain energetic information that involves phase equilibria. DSC has been widely used to characterize the equilibrium melting parameters of small organic pharmaceutical compounds. An understanding of how DSC measures an equilibrium event could make for a better interpretation of the results. The aim of this mini-review was to provide a theoretical insight into the DSC measurement to obtain the equilibrium thermodynamics of a phase transition especially the melting process. It was demonstrated that the heat quantity obtained from the DSC thermogram (ΔH) was related to the thermodynamic enthalpy of the phase transition (ΔH (P) ) via: ΔH = ΔH (P) /(1 + K (- 1)) where K was the equilibrium constant. In melting, the solid and liquefied phases presumably coexist resulting in a null Gibbs free energy that produces an infinitely larger K. Thus, ΔH could be interpreted as ΔH (P). Issues of DSC investigations on melting behavior of crystalline solids including polymorphism, degradation impurity due to heating in situ, and eutectic melting were discussed. In addition, DSC has been a tool for determination of the impurity based on an ideal solution of the melt that is one of the official methods used to establish the reference standard. PMID:27091667
NASA Technical Reports Server (NTRS)
Henderson, Robert A.; Schrag, Robert L.
1987-01-01
A method of modelling a system consisting of a cylindrical coil with its axis perpendicular to a metal plate of finite thickness, and a simple electrical circuit for producing a transient current in the coil, is discussed in the context of using such a system for de-icing aircraft surfaces. A transmission line model of the coil and metal plate is developed as the heart of the system model. It is shown that this transmission model is central to calculation of the coil impedance, the coil current, the magnetic fields established on the surfaces of the metal plate, and the resultant total force between the coil and the plate. FORTRAN algorithms were developed for numerical calculation of each of these quantities, and the algorithms were applied to an experimental prototype system in which these quantities had been measured. Good agreement is seen to exist between the predicted and measured results.
ERIC Educational Resources Information Center
Dziedziewicz, Dorota; Karwowski, Maciej
2015-01-01
This paper presents a new theoretical model of creative imagination and its applications in early education. The model sees creative imagination as composed of three inter-related components: vividness of images, their originality, and the level of transformation of imageries. We explore the theoretical and practical consequences of this new…
A theoretical model of phase changes of a klystron due to variation of operating parameters
NASA Technical Reports Server (NTRS)
Kupiszewski, A.
1980-01-01
A mathematical model for phase changes of the VA-876 CW klystron amplifier output is presented and variations of several operating parameters are considered. The theoretical approach to the problem is based upon a gridded gap modeling with inclusion of a second order correction term so that actual gap geometry is reflected in the formulation. Physical measurements are contrasted to theoretical calculations.
A Model of Resource Allocation in Public School Districts: A Theoretical and Empirical Analysis.
ERIC Educational Resources Information Center
Chambers, Jay G.
This paper formulates a comprehensive model of resource allocation in a local public school district. The theoretical framework specified could be applied equally well to any number of local public social service agencies. Section 1 develops the theoretical model describing the process of resource allocation. This involves the determination of the…
NASA Astrophysics Data System (ADS)
Burman, E.; Jacot, A.; Picasso, M.
2004-03-01
A multiphase-field model for the description of coalescence in a binary alloy is solved numerically using adaptive finite elements with high aspect ratio. The unknown of the multiphase-field model are the three phase fields (solid phase 1, solid phase 2, and liquid phase), a Lagrange multiplier and the concentration field. An Euler implicit scheme is used for time discretization, together with continuous, piecewise linear finite elements. At each time step, a linear system corresponding to the three phases plus the Lagrange multiplier has to be solved. Then, the linear system pertaining to concentration is solved. An adaptive finite element algorithm is proposed. In order to reduce the number of mesh vertices, the generated meshes contain elements with high aspect ratio. The refinement and coarsening criteria are based on an error indicator which has already been justified theoretically for simpler problems. Numerical results on two test cases show the efficiency of the method.
Gottardi, W
1999-05-01
deduce general qualities of aqueous iodine solutions, such as reactivity, stability, and analytical aspects, and to estimate major disinfection-orientated properties such as microbicidal activity, irritation, and incorporation effects. Though the calculations consider primarily preparations devoid of polymeric organic compounds capable of complexing iodine species, the results can be largely transferred to iodophoric preparations. PMID:10409102
Information-theoretic model comparison unifies saliency metrics
Kümmerer, Matthias; Wallis, Thomas S. A.; Bethge, Matthias
2015-01-01
Learning the properties of an image associated with human gaze placement is important both for understanding how biological systems explore the environment and for computer vision applications. There is a large literature on quantitative eye movement models that seeks to predict fixations from images (sometimes termed “saliency” prediction). A major problem known to the field is that existing model comparison metrics give inconsistent results, causing confusion. We argue that the primary reason for these inconsistencies is because different metrics and models use different definitions of what a “saliency map” entails. For example, some metrics expect a model to account for image-independent central fixation bias whereas others will penalize a model that does. Here we bring saliency evaluation into the domain of information by framing fixation prediction models probabilistically and calculating information gain. We jointly optimize the scale, the center bias, and spatial blurring of all models within this framework. Evaluating existing metrics on these rephrased models produces almost perfect agreement in model rankings across the metrics. Model performance is separated from center bias and spatial blurring, avoiding the confounding of these factors in model comparison. We additionally provide a method to show where and how models fail to capture information in the fixations on the pixel level. These methods are readily extended to spatiotemporal models of fixation scanpaths, and we provide a software package to facilitate their use. PMID:26655340
Theoretical model-based quantitative optimisation of numerical modelling for eddy current NDT
NASA Astrophysics Data System (ADS)
Yu, Yating; Li, Xinhua; Simm, Anthony; Tian, Guiyun
2011-06-01
Eddy current (EC) nondestructive testing (NDT) is one of the most widely used NDT methods. Numerical modelling of NDT methods has been used as an important investigative approach alongside experimental and theoretical studies. This paper investigates the set-up of numerical modelling using finite-element method in terms of the optimal selection of element mesh size in different regions within the model based on theoretical analysis of EC NDT. The modelling set-up is refined and evaluated through numerical simulation, balancing both computation time and simulation accuracy. A case study in the optimisation of the modelling set-up of the EC NDT system with a cylindrical probe coil is carried out to verify the proposed optimisation approach. Here, the mesh size of the simulation model is set based on the geometries of the coil and the magnetic sensor, as well as on the skin depth in the sample; so the optimised modelling set-up can be useful even when the geometry of EC system, the excitation frequency or the pulsed width is changed in multi-frequency EC, sweep-frequency EC or system and pulsed EC. Furthermore, this optimisation approach can be used to improve the trade-off between accuracy and the computation time in other more complex EC NDT simulations.
College Students Solving Chemistry Problems: A Theoretical Model of Expertise
ERIC Educational Resources Information Center
Taasoobshirazi, Gita; Glynn, Shawn M.
2009-01-01
A model of expertise in chemistry problem solving was tested on undergraduate science majors enrolled in a chemistry course. The model was based on Anderson's "Adaptive Control of Thought-Rational" (ACT-R) theory. The model shows how conceptualization, self-efficacy, and strategy interact and contribute to the successful solution of quantitative,…
ERIC Educational Resources Information Center
Kim, Young Rae
2013-01-01
A theoretical model of metacognition in complex modeling activities has been developed based on existing frameworks, by synthesizing the re-conceptualization of metacognition at multiple levels by looking at the three sources that trigger metacognition. Using the theoretical model as a framework, this study was designed to explore how students'…