Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory

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

Bowman, David N.; Asher, Jason C.; Fischer, Sean A.

2017-01-01

Threemeso-substituted tetrapyridyl porphyrins (free base, Ni(ii), and Cu(ii)) were investigated for their optical limiting (OL) capabilities using real-time (RT-), linear-response (LR-), and quadratic-response (QR-) time-dependent density functional theory (TDDFT) methods.

Airfoil wake and linear theory gust response including sub and superresonant flow conditions

NASA Technical Reports Server (NTRS)

Henderson, Gregory H.; Fleeter, Sanford

1992-01-01

The unsteady aerodynamic gust response of a high solidity stator vane row is examined in terms of the fundamental gust modeling assumptions with particular attention given to the effects near an acoustic resonance. A series of experiments was performed with gusts generated by rotors comprised of perforated plates and airfoils. It is concluded that, for both the perforated plate and airfoil wake generated gusts, the unsteady pressure responses do not agree with the linear-theory gust predictions near an acoustic resonance. The effects of the acoustic resonance phenomena are clearly evident on the airfoil surface unsteady pressure responses. The transition of the measured lift coefficients across the acoustic resonance from the subresonant regime to the superresonant regime occurs in a simple linear fashion.

Local control theory using trajectory surface hopping and linear-response time-dependent density functional theory.

PubMed

Curchod, Basile F E; Penfold, Thomas J; Rothlisberger, Ursula; Tavernelli, Ivano

2013-01-01

The implementation of local control theory using nonadiabatic molecular dynamics within the framework of linear-response time-dependent density functional theory is discussed. The method is applied to study the photoexcitation of lithium fluoride, for which we demonstrate that this approach can efficiently generate a pulse, on-the-fly, able to control the population transfer between two selected electronic states. Analysis of the computed control pulse yields insights into the photophysics of the process identifying the relevant frequencies associated to the curvature of the initial and final state potential energy curves and their energy differences. The limitations inherent to the use of the trajectory surface hopping approach are also discussed.

Linear Ordinary Differential Equations with Constant Coefficients. Revisiting the Impulsive Response Method Using Factorization

ERIC Educational Resources Information Center

Camporesi, Roberto

2011-01-01

We present an approach to the impulsive response method for solving linear constant-coefficient ordinary differential equations based on the factorization of the differential operator. The approach is elementary, we only assume a basic knowledge of calculus and linear algebra. In particular, we avoid the use of distribution theory, as well as of…

Linear response theory and transient fluctuation relations for diffusion processes: a backward point of view

NASA Astrophysics Data System (ADS)

Liu, Fei; Tong, Huan; Ma, Rui; Ou-Yang, Zhong-can

2010-12-01

A formal apparatus is developed to unify derivations of the linear response theory and a variety of transient fluctuation relations for continuous diffusion processes from a backward point of view. The basis is a perturbed Kolmogorov backward equation and the path integral representation of its solution. We find that these exact transient relations could be interpreted as a consequence of a generalized Chapman-Kolmogorov equation, which intrinsically arises from the Markovian characteristic of diffusion processes.

Pumping of magnons in a Dzyaloshinskii-Moriya ferromagnet

NASA Astrophysics Data System (ADS)

Kovalev, Alexey A.; Zyuzin, Vladimir A.; Li, Bo

2017-04-01

We formulate a microscopic linear response theory of magnon pumping applicable to multiple-magnonic-band uniform ferromagnets with Dzyaloshinskii-Moriya interactions. From the linear response theory, we identify the extrinsic and intrinsic contributions where the latter is expressed via the Berry curvature of magnonic bands. We observe that in the presence of a time-dependent magnetization Dzyaloshinskii-Moriya interactions can act as fictitious electric fields acting on magnons. We study various current responses to this fictitious field and analyze the role of Berry curvature. In particular, we obtain an analog of the Hall-like response in systems with nontrivial Berry curvature of magnon bands. After identifying the magnon-mediated contribution to the equilibrium Dzyaloshinskii-Moriya interaction, we also establish the Onsager reciprocity between the magnon mediated thermal torques and heat pumping. We apply our theory to the magnonic heat pumping and torque responses in honeycomb and kagome lattice ferromagnets.

A Fresh Look at Linear Ordinary Differential Equations with Constant Coefficients. Revisiting the Impulsive Response Method Using Factorization

ERIC Educational Resources Information Center

Camporesi, Roberto

2016-01-01

We present an approach to the impulsive response method for solving linear constant-coefficient ordinary differential equations of any order based on the factorization of the differential operator. The approach is elementary, we only assume a basic knowledge of calculus and linear algebra. In particular, we avoid the use of distribution theory, as…

Equilibrium finite-frequency noise of an interacting mesoscopic capacitor studied in time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole

2018-03-01

We calculate the frequency-dependent equilibrium noise of a mesoscopic capacitor in time-dependent density functional theory (TDDFT). The capacitor is modeled as a single-level quantum dot with on-site Coulomb interaction and tunnel coupling to a nearby reservoir. The noise spectra are derived from linear-response conductances via the fluctuation-dissipation theorem. Thereby, we analyze the performance of a recently derived exchange-correlation potential with time-nonlocal density dependence in the finite-frequency linear-response regime. We compare our TDDFT noise spectra with real-time perturbation theory and find excellent agreement for noise frequencies below the reservoir temperature.

Evaluating and interpreting the chemical relevance of the linear response kernel for atoms II: open shell.

PubMed

Boisdenghien, Zino; Fias, Stijn; Van Alsenoy, Christian; De Proft, Frank; Geerlings, Paul

2014-07-28

Most of the work done on the linear response kernel χ(r,r') has focussed on its atom-atom condensed form χAB. Our previous work [Boisdenghien et al., J. Chem. Theory Comput., 2013, 9, 1007] was the first effort to truly focus on the non-condensed form of this function for closed (sub)shell atoms in a systematic fashion. In this work, we extend our method to the open shell case. To simplify the plotting of our results, we average our results to a symmetrical quantity χ(r,r'). This allows us to plot the linear response kernel for all elements up to and including argon and to investigate the periodicity throughout the first three rows in the periodic table and in the different representations of χ(r,r'). Within the context of Spin Polarized Conceptual Density Functional Theory, the first two-dimensional plots of spin polarized linear response functions are presented and commented on for some selected cases on the basis of the atomic ground state electronic configurations. Using the relation between the linear response kernel and the polarizability we compare the values of the polarizability tensor calculated using our method to high-level values.

Identification of Linear and Nonlinear Aerodynamic Impulse Responses Using Digital Filter Techniques

NASA Technical Reports Server (NTRS)

Silva, Walter A.

1997-01-01

This paper discusses the mathematical existence and the numerically-correct identification of linear and nonlinear aerodynamic impulse response functions. Differences between continuous-time and discrete-time system theories, which permit the identification and efficient use of these functions, will be detailed. Important input/output definitions and the concept of linear and nonlinear systems with memory will also be discussed. It will be shown that indicial (step or steady) responses (such as Wagner's function), forced harmonic responses (such as Theodorsen's function or those from doublet lattice theory), and responses to random inputs (such as gusts) can all be obtained from an aerodynamic impulse response function. This paper establishes the aerodynamic impulse response function as the most fundamental, and, therefore, the most computationally efficient, aerodynamic function that can be extracted from any given discrete-time, aerodynamic system. The results presented in this paper help to unify the understanding of classical two-dimensional continuous-time theories with modern three-dimensional, discrete-time theories. First, the method is applied to the nonlinear viscous Burger's equation as an example. Next the method is applied to a three-dimensional aeroelastic model using the CAP-TSD (Computational Aeroelasticity Program - Transonic Small Disturbance) code and then to a two-dimensional model using the CFL3D Navier-Stokes code. Comparisons of accuracy and computational cost savings are presented. Because of its mathematical generality, an important attribute of this methodology is that it is applicable to a wide range of nonlinear, discrete-time problems.

Identification of Linear and Nonlinear Aerodynamic Impulse Responses Using Digital Filter Techniques

NASA Technical Reports Server (NTRS)

Silva, Walter A.

1997-01-01

This paper discusses the mathematical existence and the numerically-correct identification of linear and nonlinear aerodynamic impulse response functions. Differences between continuous-time and discrete-time system theories, which permit the identification and efficient use of these functions, will be detailed. Important input/output definitions and the concept of linear and nonlinear systems with memory will also be discussed. It will be shown that indicial (step or steady) responses (such as Wagner's function), forced harmonic responses (such as Tbeodorsen's function or those from doublet lattice theory), and responses to random inputs (such as gusts) can all be obtained from an aerodynamic impulse response function. This paper establishes the aerodynamic impulse response function as the most fundamental, and, therefore, the most computationally efficient, aerodynamic function that can be extracted from any given discrete-time, aerodynamic system. The results presented in this paper help to unify the understanding of classical two-dimensional continuous-time theories with modem three-dimensional, discrete-time theories. First, the method is applied to the nonlinear viscous Burger's equation as an example. Next the method is applied to a three-dimensional aeroelastic model using the CAP-TSD (Computational Aeroelasticity Program - Transonic Small Disturbance) code and then to a two-dimensional model using the CFL3D Navier-Stokes code. Comparisons of accuracy and computational cost savings are presented. Because of its mathematical generality, an important attribute of this methodology is that it is applicable to a wide range of nonlinear, discrete-time problems.

A molecular Debye-Huckel theory of solvation in polar fluids: An extension of the Born model

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

Xiao, Tiejun; Song, Xueyu

A dielectric response theory of solvation beyond the conventional Born model for polar fluids is presented. The dielectric response of a polar fluid is described by a Born response mode and a linear combination of Debye-Hückel-like response modes that capture the nonlocal response of polar fluids. The Born mode is characterized by a bulk dielectric constant, while a Debye-Hückel mode is characterized by its corresponding Debye screening length. Both the bulk dielectric constant and the Debye screening lengths are determined from the bulk dielectric function of the polar fluid. The linear combination coefficients of the response modes are evaluated inmore » a self-consistent way and can be used to evaluate the electrostatic contribution to the thermodynamic properties of a polar fluid. In conclusion, our theory is applied to a dipolar hard sphere fluid as well as interaction site models of polar fluids such as water, where the electrostatic contribution to their thermodynamic properties can be obtained accurately.« less

A molecular Debye-Huckel theory of solvation in polar fluids: An extension of the Born model

DOE PAGES

Xiao, Tiejun; Song, Xueyu

2017-12-06

A dielectric response theory of solvation beyond the conventional Born model for polar fluids is presented. The dielectric response of a polar fluid is described by a Born response mode and a linear combination of Debye-Hückel-like response modes that capture the nonlocal response of polar fluids. The Born mode is characterized by a bulk dielectric constant, while a Debye-Hückel mode is characterized by its corresponding Debye screening length. Both the bulk dielectric constant and the Debye screening lengths are determined from the bulk dielectric function of the polar fluid. The linear combination coefficients of the response modes are evaluated inmore » a self-consistent way and can be used to evaluate the electrostatic contribution to the thermodynamic properties of a polar fluid. In conclusion, our theory is applied to a dipolar hard sphere fluid as well as interaction site models of polar fluids such as water, where the electrostatic contribution to their thermodynamic properties can be obtained accurately.« less

A molecular Debye-Hückel theory of solvation in polar fluids: An extension of the Born model

NASA Astrophysics Data System (ADS)

Xiao, Tiejun; Song, Xueyu

2017-12-01

A dielectric response theory of solvation beyond the conventional Born model for polar fluids is presented. The dielectric response of a polar fluid is described by a Born response mode and a linear combination of Debye-Hückel-like response modes that capture the nonlocal response of polar fluids. The Born mode is characterized by a bulk dielectric constant, while a Debye-Hückel mode is characterized by its corresponding Debye screening length. Both the bulk dielectric constant and the Debye screening lengths are determined from the bulk dielectric function of the polar fluid. The linear combination coefficients of the response modes are evaluated in a self-consistent way and can be used to evaluate the electrostatic contribution to the thermodynamic properties of a polar fluid. Our theory is applied to a dipolar hard sphere fluid as well as interaction site models of polar fluids such as water, where the electrostatic contribution to their thermodynamic properties can be obtained accurately.

A molecular Debye-Hückel theory of solvation in polar fluids: An extension of the Born model.

PubMed

Xiao, Tiejun; Song, Xueyu

2017-12-07

A dielectric response theory of solvation beyond the conventional Born model for polar fluids is presented. The dielectric response of a polar fluid is described by a Born response mode and a linear combination of Debye-Hückel-like response modes that capture the nonlocal response of polar fluids. The Born mode is characterized by a bulk dielectric constant, while a Debye-Hückel mode is characterized by its corresponding Debye screening length. Both the bulk dielectric constant and the Debye screening lengths are determined from the bulk dielectric function of the polar fluid. The linear combination coefficients of the response modes are evaluated in a self-consistent way and can be used to evaluate the electrostatic contribution to the thermodynamic properties of a polar fluid. Our theory is applied to a dipolar hard sphere fluid as well as interaction site models of polar fluids such as water, where the electrostatic contribution to their thermodynamic properties can be obtained accurately.

Thermospheric dynamics - A system theory approach

NASA Technical Reports Server (NTRS)

Codrescu, M.; Forbes, J. M.; Roble, R. G.

1990-01-01

A system theory approach to thermospheric modeling is developed, based upon a linearization method which is capable of preserving nonlinear features of a dynamical system. The method is tested using a large, nonlinear, time-varying system, namely the thermospheric general circulation model (TGCM) of the National Center for Atmospheric Research. In the linearized version an equivalent system, defined for one of the desired TGCM output variables, is characterized by a set of response functions that is constructed from corresponding quasi-steady state and unit sample response functions. The linearized version of the system runs on a personal computer and produces an approximation of the desired TGCM output field height profile at a given geographic location.

Extrapolation to Nonequilibrium from Coarse-Grained Response Theory

NASA Astrophysics Data System (ADS)

Basu, Urna; Helden, Laurent; Krüger, Matthias

2018-05-01

Nonlinear response theory, in contrast to linear cases, involves (dynamical) details, and this makes application to many-body systems challenging. From the microscopic starting point we obtain an exact response theory for a small number of coarse-grained degrees of freedom. With it, an extrapolation scheme uses near-equilibrium measurements to predict far-from-equilibrium properties (here, second order responses). Because it does not involve system details, this approach can be applied to many-body systems. It is illustrated in a four-state model and in the near critical Ising model.

Toward Control of Universal Scaling in Critical Dynamics

DTIC Science & Technology

2016-01-27

program that aims to synergistically combine two powerful and very successful theories for non-linear stochastic dynamics of cooperative multi...RESPONSIBLE PERSON 19b. TELEPHONE NUMBER Uwe Tauber Uwe C. T? uber , Michel Pleimling, Daniel J. Stilwell 611102 c. THIS PAGE The public reporting burden...to synergistically combine two powerful and very successful theories for non-linear stochastic dynamics of cooperative multi-component systems, namely

Charge and pairing dynamics in the attractive Hubbard model: Mode coupling and the validity of linear-response theory

NASA Astrophysics Data System (ADS)

Bünemann, Jörg; Seibold, Götz

2017-12-01

Pump-probe experiments have turned out as a powerful tool in order to study the dynamics of competing orders in a large variety of materials. The corresponding analysis of the data often relies on standard linear-response theory generalized to nonequilibrium situations. Here we examine the validity of such an approach for the charge and pairing response of systems with charge-density wave and (or) superconducting (SC) order. Our investigations are based on the attractive Hubbard model which we study within the time-dependent Hartree-Fock approximation. In particular, we calculate the quench and pump-probe dynamics for SC and charge order parameters in order to analyze the frequency spectra and the coupling of the probe field to the specific excitations. Our calculations reveal that the "linear-response assumption" is justified for small to moderate nonequilibrium situations (i.e., pump pulses) in the case of a purely charge-ordered ground state. However, the pump-probe dynamics on top of a superconducting ground state is determined by phase and amplitude modes which get coupled far from the equilibrium state indicating the failure of the linear-response assumption.

Shortcuts to adiabaticity from linear response theory

DOE PAGES

Acconcia, Thiago V.; Bonança, Marcus V. S.; Deffner, Sebastian

2015-10-23

A shortcut to adiabaticity is a finite-time process that produces the same final state as would result from infinitely slow driving. We show that such shortcuts can be found for weak perturbations from linear response theory. Moreover, with the help of phenomenological response functions, a simple expression for the excess work is found—quantifying the nonequilibrium excitations. For two specific examples, i.e., the quantum parametric oscillator and the spin 1/2 in a time-dependent magnetic field, we show that finite-time zeros of the excess work indicate the existence of shortcuts. We finally propose a degenerate family of protocols, which facilitates shortcuts tomore » adiabaticity for specific and very short driving times.« less

Four-Component Damped Density Functional Response Theory Study of UV/Vis Absorption Spectra and Phosphorescence Parameters of Group 12 Metal-Substituted Porphyrins.

PubMed

Fransson, Thomas; Saue, Trond; Norman, Patrick

2016-05-10

The influences of group 12 (Zn, Cd, Hg) metal-substitution on the valence spectra and phosphorescence parameters of porphyrins (P) have been investigated in a relativistic setting. In order to obtain valence spectra, this study reports the first application of the damped linear response function, or complex polarization propagator, in the four-component density functional theory framework [as formulated in Villaume et al. J. Chem. Phys. 2010 , 133 , 064105 ]. It is shown that the steep increase in the density of states as due to the inclusion of spin-orbit coupling yields only minor changes in overall computational costs involved with the solution of the set of linear response equations. Comparing single-frequency to multifrequency spectral calculations, it is noted that the number of iterations in the iterative linear equation solver per frequency grid-point decreases monotonously from 30 to 0.74 as the number of frequency points goes from one to 19. The main heavy-atom effect on the UV/vis-absorption spectra is indirect and attributed to the change of point group symmetry due to metal-substitution, and it is noted that substitutions using heavier atoms yield small red-shifts of the intense Soret-band. Concerning phosphorescence parameters, the adoption of a four-component relativistic setting enables the calculation of such properties at a linear order of response theory, and any higher-order response functions do not need to be considered-a real, conventional, form of linear response theory has been used for the calculation of these parameters. For the substituted porphyrins, electronic coupling between the lowest triplet states is strong and results in theoretical estimates of lifetimes that are sensitive to the wave function and electron density parametrization. With this in mind, we report our best estimates of the phosphorescence lifetimes to be 460, 13.8, 11.2, and 0.00155 s for H2P, ZnP, CdP, and HgP, respectively, with the corresponding transition energies being equal to 1.46, 1.50, 1.38, and 0.89 eV.

Developing Integrated Arts Curriculum in Hong Kong: Chaos Theory at Work?

ERIC Educational Resources Information Center

Wong, Marina

2013-01-01

This article reports the development of integrated arts curriculum in two Hong Kong secondary schools over a 9-year period. Initial findings display a range of individual responses to educational change that are both non-predictable and non-linear. Chaos theory is used to explain these varied responses in terms of bifurcations. The findings of…

Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT

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

Brabec, Jiri; Lin, Lin; Shao, Meiyue

We present two iterative algorithms for approximating the absorption spectrum of molecules within linear response of time-dependent density functional theory (TDDFT) framework. These methods do not attempt to compute eigenvalues or eigenvectors of the linear response matrix. They are designed to approximate the absorption spectrum as a function directly. They take advantage of the special structure of the linear response matrix. Neither method requires the linear response matrix to be constructed explicitly. They only require a procedure that performs the multiplication of the linear response matrix with a vector. These methods can also be easily modified to efficiently estimate themore » density of states (DOS) of the linear response matrix without computing the eigenvalues of this matrix. We show by computational experiments that the methods proposed in this paper can be much more efficient than methods that are based on the exact diagonalization of the linear response matrix. We show that they can also be more efficient than real-time TDDFT simulations. We compare the pros and cons of these methods in terms of their accuracy as well as their computational and storage cost.« less

Magnon Spin Nernst Effect in Antiferromagnets.

PubMed

Zyuzin, Vladimir A; Kovalev, Alexey A

2016-11-18

We predict that a temperature gradient can induce a magnon-mediated spin Hall response in an antiferromagnet with nontrivial magnon Berry curvature. We develop a linear response theory which gives a general condition for a Hall current to be well defined, even when the thermal Hall response is forbidden by symmetry. We apply our theory to a honeycomb lattice antiferromagnet and discuss a role of magnon edge states in a finite geometry.

Magnon Spin Nernst Effect in Antiferromagnets

NASA Astrophysics Data System (ADS)

Zyuzin, Vladimir A.; Kovalev, Alexey A.

2016-11-01

We predict that a temperature gradient can induce a magnon-mediated spin Hall response in an antiferromagnet with nontrivial magnon Berry curvature. We develop a linear response theory which gives a general condition for a Hall current to be well defined, even when the thermal Hall response is forbidden by symmetry. We apply our theory to a honeycomb lattice antiferromagnet and discuss a role of magnon edge states in a finite geometry.

Determining polarizable force fields with electrostatic potentials from quantum mechanical linear response theory

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

Wang, Hao; Yang, Weitao, E-mail: weitao.yang@duke.edu; Department of Physics, Duke University, Durham, North Carolina 27708

We developed a new method to calculate the atomic polarizabilities by fitting to the electrostatic potentials (ESPs) obtained from quantum mechanical (QM) calculations within the linear response theory. This parallels the conventional approach of fitting atomic charges based on electrostatic potentials from the electron density. Our ESP fitting is combined with the induced dipole model under the perturbation of uniform external electric fields of all orientations. QM calculations for the linear response to the external electric fields are used as input, fully consistent with the induced dipole model, which itself is a linear response model. The orientation of the uniformmore » external electric fields is integrated in all directions. The integration of orientation and QM linear response calculations together makes the fitting results independent of the orientations and magnitudes of the uniform external electric fields applied. Another advantage of our method is that QM calculation is only needed once, in contrast to the conventional approach, where many QM calculations are needed for many different applied electric fields. The molecular polarizabilities obtained from our method show comparable accuracy with those from fitting directly to the experimental or theoretical molecular polarizabilities. Since ESP is directly fitted, atomic polarizabilities obtained from our method are expected to reproduce the electrostatic interactions better. Our method was used to calculate both transferable atomic polarizabilities for polarizable molecular mechanics’ force fields and nontransferable molecule-specific atomic polarizabilities.« less

Measuring Anxiety in Visually-Impaired People: A Comparison between the Linear and the Nonlinear IRT Approaches

ERIC Educational Resources Information Center

Ferrando, Pere J.; Pallero, Rafael; Anguiano-Carrasco, Cristina

2013-01-01

The present study has two main interests. First, some pending issues about the psychometric properties of the CTAC (an anxiety questionnaire for blind and visually-impaired people) are assessed using item response theory (IRT). Second, the linear model is compared to the graded response model (GRM) in terms of measurement precision, sensitivity…

Maximizing the Information and Validity of a Linear Composite in the Factor Analysis Model for Continuous Item Responses

ERIC Educational Resources Information Center

Ferrando, Pere J.

2008-01-01

This paper develops results and procedures for obtaining linear composites of factor scores that maximize: (a) test information, and (b) validity with respect to external variables in the multiple factor analysis (FA) model. I treat FA as a multidimensional item response theory model, and use Ackerman's multidimensional information approach based…

Nonlinear spin susceptibility in topological insulators

NASA Astrophysics Data System (ADS)

Shiranzaei, Mahroo; Fransson, Jonas; Cheraghchi, Hosein; Parhizgar, Fariborz

2018-05-01

We revise the theory of the indirect exchange interaction between magnetic impurities beyond the linear response theory to establish the effect of impurity resonances in the surface states of a three-dimensional topological insulator. The interaction is composed of isotropic Heisenberg, anisotropic Ising, and Dzyaloshinskii-Moriya types of couplings. We find that all three contributions are finite at the Dirac point, which is in stark contrast to the linear response theory which predicts a vanishing Dzyaloshinskii-Moriya-type contribution. We show that the spin-independent component of the impurity scattering can generate large values of the Dzyaloshinskii-Moriya-type coupling in comparison with the Heisenberg and Ising types of couplings, while these latter contributions drastically reduce in magnitude and undergo sign changes. As a result, both collinear and noncollinear configurations are allowed magnetic configurations of the impurities.

Linear response coupled cluster theory with the polarizable continuum model within the singles approximation for the solvent response.

PubMed

Caricato, Marco

2018-04-07

We report the theory and the implementation of the linear response function of the coupled cluster (CC) with the single and double excitations method combined with the polarizable continuum model of solvation, where the correlation solvent response is approximated with the perturbation theory with energy and singles density (PTES) scheme. The singles name is derived from retaining only the contribution of the CC single excitation amplitudes to the correlation density. We compare the PTES working equations with those of the full-density (PTED) method. We then test the PTES scheme on the evaluation of excitation energies and transition dipoles of solvated molecules, as well as of the isotropic polarizability and specific rotation. Our results show a negligible difference between the PTED and PTES schemes, while the latter affords a significantly reduced computational cost. This scheme is general and can be applied to any solvation model that includes mutual solute-solvent polarization, including explicit models. Therefore, the PTES scheme is a competitive approach to compute response properties of solvated systems using CC methods.

Linear response coupled cluster theory with the polarizable continuum model within the singles approximation for the solvent response

NASA Astrophysics Data System (ADS)

Caricato, Marco

2018-04-01

We report the theory and the implementation of the linear response function of the coupled cluster (CC) with the single and double excitations method combined with the polarizable continuum model of solvation, where the correlation solvent response is approximated with the perturbation theory with energy and singles density (PTES) scheme. The singles name is derived from retaining only the contribution of the CC single excitation amplitudes to the correlation density. We compare the PTES working equations with those of the full-density (PTED) method. We then test the PTES scheme on the evaluation of excitation energies and transition dipoles of solvated molecules, as well as of the isotropic polarizability and specific rotation. Our results show a negligible difference between the PTED and PTES schemes, while the latter affords a significantly reduced computational cost. This scheme is general and can be applied to any solvation model that includes mutual solute-solvent polarization, including explicit models. Therefore, the PTES scheme is a competitive approach to compute response properties of solvated systems using CC methods.

Confirmation of linear system theory prediction: Changes in Herrnstein's k as a function of changes in reinforcer magnitude.

PubMed

McDowell, J J; Wood, H M

1984-03-01

Eight human subjects pressed a lever on a range of variable-interval schedules for 0.25 cent to 35.0 cent per reinforcement. Herrnstein's hyperbola described seven of the eight subjects' response-rate data well. For all subjects, the y-asymptote of the hyperbola increased with increasing reinforcer magnitude and its reciprocal was a linear function of the reciprocal of reinforcer magnitude. These results confirm predictions made by linear system theory; they contradict formal properties of Herrnstein's account and of six other mathematical accounts of single-alternative responding.

Confirmation of linear system theory prediction: Changes in Herrnstein's k as a function of changes in reinforcer magnitude

PubMed Central

McDowell, J. J; Wood, Helena M.

1984-01-01

Eight human subjects pressed a lever on a range of variable-interval schedules for 0.25¢ to 35.0¢ per reinforcement. Herrnstein's hyperbola described seven of the eight subjects' response-rate data well. For all subjects, the y-asymptote of the hyperbola increased with increasing reinforcer magnitude and its reciprocal was a linear function of the reciprocal of reinforcer magnitude. These results confirm predictions made by linear system theory; they contradict formal properties of Herrnstein's account and of six other mathematical accounts of single-alternative responding. PMID:16812366

Linear Algebra Revisited: An Attempt to Understand Students' Conceptual Difficulties

ERIC Educational Resources Information Center

Britton, Sandra; Henderson, Jenny

2009-01-01

This article looks at some of the conceptual difficulties that students have in a linear algebra course. An overview of previous research in this area is given, and the various theories that have been espoused regarding the reasons that students find linear algebra so difficult are discussed. Student responses to two questions testing the ability…

Comparing the Fit of Item Response Theory and Factor Analysis Models

ERIC Educational Resources Information Center

Maydeu-Olivares, Alberto; Cai, Li; Hernandez, Adolfo

2011-01-01

Linear factor analysis (FA) models can be reliably tested using test statistics based on residual covariances. We show that the same statistics can be used to reliably test the fit of item response theory (IRT) models for ordinal data (under some conditions). Hence, the fit of an FA model and of an IRT model to the same data set can now be…

A molecular Debye-Hückel approach to the reorganization energy of electron transfer reactions in an electric cell

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

Xiao, Tiejun; Department of Chemistry, Iowa State University, Ames, Iowa 50011; Song, Xueyu

2014-10-07

Electron transfer near an electrode immersed in ionic fluids is studied using the linear response approximation, namely, mean value of the vertical energy gap can be used to evaluate the reorganization energy, and hence any linear response model that can treat Coulomb interactions successfully can be used for the reorganization energy calculation. Specifically, a molecular Debye-Hückel theory is used to calculate the reorganization energy of electron transfer reactions in an electric cell. Applications to electron transfer near an electrode in molten salts show that the reorganization energies from our molecular Debye-Hückel theory agree well with the results from MD simulations.

Regulatory implications of a linear non-threshold (LNT) dose-based risks.

PubMed

Aleta, C R

2009-01-01

Current radiation protection regulatory limits are based on the linear non-threshold (LNT) theory using health data from atomic bombing survivors. Studies in recent years sparked debate on the validity of the theory, especially at low doses. The present LNT overestimates radiation risks since the dosimetry included only acute gammas and neutrons; the role of other bomb-caused factors, e.g. fallout, induced radioactivity, thermal radiation (UVR), electromagnetic pulse (EMP), and blast, were excluded. Studies are proposed to improve the dose-response relationship.

Process Dynamics and Control, a Theory-Experiential Approach.

ERIC Educational Resources Information Center

Perna, A. J.; And Others

A required senior-level chemical engineering course at Colorado State University is described. The first nine weeks are devoted to the theory portion of the course, which includes the following topics: LaPlace transformations and time constants, block diagrams, inverse transformations, linearization, frequency response analysis, graphical…

Microscopic theory of linear light scattering from mesoscopic media and in near-field optics.

PubMed

Keller, Ole

2005-08-01

On the basis of quantum mechanical response theory a microscopic propagator theory of linear light scattering from mesoscopic systems is presented. The central integral equation problem is transferred to a matrix equation problem by discretization in transitions between pairs of (many-body) energy eigenstates. The local-field calculation which appears from this approach is valid down to the microscopic region. Previous theories based on the (macroscopic) dielectric constant concept make use of spatial (geometrical) discretization and cannot in general be trusted on the mesoscopic length scale. The present theory can be applied to light scattering studies in near-field optics. After a brief discussion of the macroscopic integral equation problem a microscopic potential description of the scattering process is established. In combination with the use of microscopic electromagnetic propagators the formalism allows one to make contact to the macroscopic theory of light scattering and to the spatial photon localization problem. The quantum structure of the microscopic conductivity response tensor enables one to establish a clear physical picture of the origin of local-field phenomena in mesoscopic and near-field optics. The Huygens scalar propagator formalism is revisited and its generality in microscopic physics pointed out.

Theory, Guidance, and Flight Control for High Maneuverability Projectiles

DTIC Science & Technology

2014-01-01

estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining...2.8 Linear System Modeling with Time Delay ...................................................................22 2.9 Linear System Modeling Without... Time Delay .............................................................23 3. Guidance and Flight Control 24 3.1 Proportional Navigation Guidance Law

Confirmation of linear system theory prediction: Rate of change of Herrnstein's kappa as a function of response-force requirement.

PubMed

McDowell, J J; Wood, H M

1985-01-01

Four human subjects worked on all combinations of five variable-interval schedules and five reinforcer magnitudes ( cent/reinforcer) in each of two phases of the experiment. In one phase the force requirement on the operandum was low (1 or 11 N) and in the other it was high (25 or 146 N). Estimates of Herrnstein's kappa were obtained at each reinforcer magnitude. The results were: (1) response rate was more sensitive to changes in reinforcement rate at the high than at the low force requirement, (2) kappa increased from the beginning to the end of the magnitude range for all subjects at both force requirements, (3) the reciprocal of kappa was a linear function of the reciprocal of reinforcer magnitude for seven of the eight data sets, and (4) the rate of change of kappa was greater at the high than at the low force requirement by an order of magnitude or more. The second and third findings confirm predictions made by linear system theory, and replicate the results of an earlier experiment (McDowell & Wood, 1984). The fourth finding confirms a further prediction of the theory and supports the theory's interpretation of conflicting data on the constancy of Herrnstein's kappa.

Confirmation of linear system theory prediction: Rate of change of Herrnstein's κ as a function of response-force requirement

PubMed Central

McDowell, J. J; Wood, Helena M.

1985-01-01

Four human subjects worked on all combinations of five variable-interval schedules and five reinforcer magnitudes (¢/reinforcer) in each of two phases of the experiment. In one phase the force requirement on the operandum was low (1 or 11 N) and in the other it was high (25 or 146 N). Estimates of Herrnstein's κ were obtained at each reinforcer magnitude. The results were: (1) response rate was more sensitive to changes in reinforcement rate at the high than at the low force requirement, (2) κ increased from the beginning to the end of the magnitude range for all subjects at both force requirements, (3) the reciprocal of κ was a linear function of the reciprocal of reinforcer magnitude for seven of the eight data sets, and (4) the rate of change of κ was greater at the high than at the low force requirement by an order of magnitude or more. The second and third findings confirm predictions made by linear system theory, and replicate the results of an earlier experiment (McDowell & Wood, 1984). The fourth finding confirms a further prediction of the theory and supports the theory's interpretation of conflicting data on the constancy of Herrnstein's κ. PMID:16812408

On the subsystem formulation of linear-response time-dependent DFT.

PubMed

Pavanello, Michele

2013-05-28

A new and thorough derivation of linear-response subsystem time-dependent density functional theory (TD-DFT) is presented and analyzed in detail. Two equivalent derivations are presented and naturally yield self-consistent subsystem TD-DFT equations. One reduces to the subsystem TD-DFT formalism of Neugebauer [J. Chem. Phys. 126, 134116 (2007)]. The other yields Dyson type equations involving three types of subsystem response functions: coupled, uncoupled, and Kohn-Sham. The Dyson type equations for subsystem TD-DFT are derived here for the first time. The response function formalism reveals previously hidden qualities and complications of subsystem TD-DFT compared with the regular TD-DFT of the supersystem. For example, analysis of the pole structure of the subsystem response functions shows that each function contains information about the electronic spectrum of the entire supersystem. In addition, comparison of the subsystem and supersystem response functions shows that, while the correlated response is subsystem additive, the Kohn-Sham response is not. Comparison with the non-subjective partition DFT theory shows that this non-additivity is largely an artifact introduced by the subjective nature of the density partitioning in subsystem DFT.

Influence of an asymmetric ring on the modeling of an orthogonally stiffened cylindrical shell

NASA Technical Reports Server (NTRS)

Rastogi, Naveen; Johnson, Eric R.

1994-01-01

Structural models are examined for the influence of a ring with an asymmetrical cross section on the linear elastic response of an orthogonally stiffened cylindrical shell subjected to internal pressure. The first structural model employs classical theory for the shell and stiffeners. The second model employs transverse shear deformation theories for the shell and stringer and classical theory for the ring. Closed-end pressure vessel effects are included. Interacting line load intensities are computed in the stiffener-to-skin joints for an example problem having the dimensions of the fuselage of a large transport aircraft. Classical structural theory is found to exaggerate the asymmetric response compared to the transverse shear deformation theory.

General response formula and application to topological insulator in quantum open system.

PubMed

Shen, H Z; Qin, M; Shao, X Q; Yi, X X

2015-11-01

It is well-known that the quantum linear response theory is based on the first-order perturbation theory for a system in thermal equilibrium. Hence, this theory breaks down when the system is in a steady state far from thermal equilibrium and the response up to higher order in perturbation is not negligible. In this paper, we develop a nonlinear response theory for such quantum open system. We first formulate this theory in terms of general susceptibility, after which we apply it to the derivation of Hall conductance for open system at finite temperature. As an example, the Hall conductance of the two-band model is derived. Then we calculate the Hall conductance for a two-dimensional ferromagnetic electron gas and a two-dimensional lattice model. The calculations show that the transition points of topological phase are robust against the environment. Our results provide a promising platform for the coherent manipulation of the nonlinear response in quantum open system, which has potential applications for quantum information processing and statistical physics.

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

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

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

2015-12-28

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

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

PubMed

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

2015-12-28

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

Polarons and Mobile Impurities Near a Quantum Phase Transition

NASA Astrophysics Data System (ADS)

Shadkhoo, Shahriar

This dissertation aims at improving the current understanding of the physics of mobile impurities in highly correlated liquid-like phases of matter. Impurity problems pose challenging and intricate questions in different realms of many-body physics. For instance, the problem of ''solvation'' of charged solutes in polar solvents, has been the subject of longstanding debates among chemical physicists. The significant role of quantum fluctuations of the solvent, as well as the break down of linear response theory, render the ordinary treatments intractable. Inspired by this complicated problem, we first attempt to understand the role of non-specific quantum fluctuations in the solvation process. To this end, we calculate the dynamic structure factor of a model polar liquid, using the classical Molecular Dynamics (MD) simulations. We verify the failure of linear response approximation in the vicinity of a hydrated electron, by comparing the outcomes of MD simulations with the predictions of linear response theory. This nonlinear behavior is associated with the pronounced peaks of the structure factor, which reflect the strong fluctuations of the local modes. A cavity picture is constructed based on heuristic arguments, which suggests that the electron, along with the surrounding polarization cloud, behave like a frozen sphere, for which the linear response theory is broken inside and valid outside. The inverse radius of the spherical region serves as a UV momentum cutoff for the linear response approximation to be applicable. The problem of mobile impurities in polar liquids can be also addressed in the framework of the ''polaron'' problem. Polaron is a quasiparticle that typically acquires an extended state at weak couplings, and crossovers to a self-trapped state at strong couplings. Using the analytical fits to the numerically obtained charge-charge structure factor, a phenomenological approach is proposed within the Leggett's influence functional formalism, which derives the effective Euclidean action from the classical equation of motion. We calculate the effective mass of the polaron in the model polar liquid at zero and finite temperatures. The self-trapping transition of this polaron turns out to be discontinuous in certain regions of the phase diagram. In order to systematically investigate the role of quantum fluctuations on the polaron properties, we adopt a quantum field theory which supports nearly-critical local modes: the quantum Landau-Brazovskii (QLB) model, which exhibits fluctuation-induced first order transition (weak crystallization). In the vicinity of the phase transition, the quantum fluctuations are strongly correlated; one can in principle tune the strength of these fluctuations, by adjusting the parameters close to or away from the transition point. Furthermore, sufficiently close to the transition, the theory accommodates "soliton'' solutions, signaling the nonlinear response of the system. Therefore, the model seems to be a promising candidate for studying the effects of strong quantum fluctuations and also failure of linear response theory, in the polaron problem. We observe that at zero temperature, and away from the Brazovskii transition where the linear response approximation is valid, the localization transition of the polaron is discontinuous. Upon enhancing fluctuations---of either thermal or quantum nature---the gap of the effective mass closes at distinct second-order critical points. Sufficiently close to the Brazovskii transition where the nonlinear contributions of the field are significantly large, a new state appears in addition to extended and self-trapped polarons: an impurity-induced soliton. We interpret this as the break-down of linear response, reminiscent of what we observe in a polar liquid. Quantum LB model has been proposed to be realizable in ultracold Bose gases in cavities. We thus discuss the experimental feasibility, and propose a setup which is believed to exhibit the aforementioned polaronic and solitonic states. We eventually generalize the polaron formalism to the case of impurities that couple quadratically to a nearly-critical field; hence called the ''quadratic polaron''. The Hertz-Millis field theory and its generalization to the case of magnetic transition in helimagnets, is taken as a toy model. The phase diagram of the bare model contains both second-order and fluctuation-induced first-order quantum phase transitions. We propose a semi-classical scenario in which the impurity and the field couple quadratically. The polaron properties in the vicinity of these transitions are calculated in different dimensions. We observe that the quadratic coupling in three dimensions, even in the absence of the critical modes with finite wavelength, leads to a jump-like localization of the polaron. In lower dimensions, the transition behavior remains qualitatively similar to those in the case of linear coupling, namely the critical modes must have a finite wavelength to localize the particle.

Singlet Excited States of Cl and Br Molecules: New Theories Applied to the -XO and -XO2 (X=C1 and Br) Chromophores

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Srinivasan, Parthiban; Head-Gordon, Martin; Huo, Winifred (Technical Monitor)

1998-01-01

Electronic excitation energies are determined using single-reference based theories derived from response equations involving perturbation theory and coupled-cluster theory. These methods are applied to the singlet manifold of excited electronic states of the HClO, HBrO, HOClO, HOBrO, HClO2, and HBrO2 molecules. The reliability of the various perturbation theory approaches is assessed by comparison to the linear-response singles and doubles coupled-cluster (LRCCSD) method. The excitation energies for the Y-XO compounds are compared and contrasted for Y=H and HO, and X=Cl and Br. A similar comparison is performed for the H-XO2 compounds.

David Gale: Restless Pioneer

ERIC Educational Resources Information Center

Meyer, Walter

2006-01-01

David Gale was one of the mathematicians responsible for the modern form of the theory of duality in linear programming and the associated proof of the minimax theorem in the theory of games. He is a member of the National Academy of Sciences and is Professor Emeritus of Mathematics and Operations Research at the University of California at…

Threshold and Beyond: Modeling The Intensity Dependence of Auditory Responses

PubMed Central

2007-01-01

In many studies of auditory-evoked responses to low-intensity sounds, the response amplitude appears to increase roughly linearly with the sound level in decibels (dB), corresponding to a logarithmic intensity dependence. But the auditory system is assumed to be linear in the low-intensity limit. The goal of this study was to resolve the seeming contradiction. Based on assumptions about the rate-intensity functions of single auditory-nerve fibers and the pattern of cochlear excitation caused by a tone, a model for the gross response of the population of auditory nerve fibers was developed. In accordance with signal detection theory, the model denies the existence of a threshold. This implies that regarding the detection of a significant stimulus-related effect, a reduction in sound intensity can always be compensated for by increasing the measurement time, at least in theory. The model suggests that the gross response is proportional to intensity when the latter is low (range I), and a linear function of sound level at higher intensities (range III). For intensities in between, it is concluded that noisy experimental data may provide seemingly irrefutable evidence of a linear dependence on sound pressure (range II). In view of the small response amplitudes that are to be expected for intensity range I, direct observation of the predicted proportionality with intensity will generally be a challenging task for an experimenter. Although the model was developed for the auditory nerve, the basic conclusions are probably valid for higher levels of the auditory system, too, and might help to improve models for loudness at threshold. PMID:18008105

General relativity as the effective theory of GL(4,R) spontaneous symmetry breaking

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

Tomboulis, E. T.

2011-10-15

We assume a GL(4,R) space-time symmetry which is spontaneously broken to SO(3,1). We carry out the coset construction of the effective theory for the nonlinearly realized broken symmetry in terms of the Goldstone fields and matter fields transforming linearly under the unbroken Lorentz subgroup. We then identify functions of the Goldstone and matter fields that transform linearly also under the broken symmetry. Expressed in terms of these quantities the effective theory reproduces the vierbein formalism of general relativity with general coordinate invariance being automatically realized nonlinearly over GL(4,R). The coset construction makes no assumptions about any underlying theory that mightmore » be responsible for the assumed symmetry breaking. We give a brief discussion of the possibility of field theories with GL(4,R) rather than Lorentz space-time symmetry providing the underlying dynamics.« less

Functional differentiability in time-dependent quantum mechanics.

PubMed

Penz, Markus; Ruggenthaler, Michael

2015-03-28

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

STICAP: A linear circuit analysis program with stiff systems capability. Volume 1: Theory manual. [network analysis

NASA Technical Reports Server (NTRS)

Cooke, C. H.

1975-01-01

STICAP (Stiff Circuit Analysis Program) is a FORTRAN 4 computer program written for the CDC-6400-6600 computer series and SCOPE 3.0 operating system. It provides the circuit analyst a tool for automatically computing the transient responses and frequency responses of large linear time invariant networks, both stiff and nonstiff (algorithms and numerical integration techniques are described). The circuit description and user's program input language is engineer-oriented, making simple the task of using the program. Engineering theories underlying STICAP are examined. A user's manual is included which explains user interaction with the program and gives results of typical circuit design applications. Also, the program structure from a systems programmer's viewpoint is depicted and flow charts and other software documentation are given.

Nonlocal kinetic energy functional from the jellium-with-gap model: Applications to orbital-free density functional theory

NASA Astrophysics Data System (ADS)

Constantin, Lucian A.; Fabiano, Eduardo; Della Sala, Fabio

2018-05-01

Orbital-free density functional theory (OF-DFT) promises to describe the electronic structure of very large quantum systems, being its computational cost linear with the system size. However, the OF-DFT accuracy strongly depends on the approximation made for the kinetic energy (KE) functional. To date, the most accurate KE functionals are nonlocal functionals based on the linear-response kernel of the homogeneous electron gas, i.e., the jellium model. Here, we use the linear-response kernel of the jellium-with-gap model to construct a simple nonlocal KE functional (named KGAP) which depends on the band-gap energy. In the limit of vanishing energy gap (i.e., in the case of metals), the KGAP is equivalent to the Smargiassi-Madden (SM) functional, which is accurate for metals. For a series of semiconductors (with different energy gaps), the KGAP performs much better than SM, and results are close to the state-of-the-art functionals with sophisticated density-dependent kernels.

A Comparison between Linear IRT Observed-Score Equating and Levine Observed-Score Equating under the Generalized Kernel Equating Framework

ERIC Educational Resources Information Center

Chen, Haiwen

2012-01-01

In this article, linear item response theory (IRT) observed-score equating is compared under a generalized kernel equating framework with Levine observed-score equating for nonequivalent groups with anchor test design. Interestingly, these two equating methods are closely related despite being based on different methodologies. Specifically, when…

Tracking the dynamics of divergent thinking via semantic distance: Analytic methods and theoretical implications.

PubMed

Hass, Richard W

2017-02-01

Divergent thinking has often been used as a proxy measure of creative thinking, but this practice lacks a foundation in modern cognitive psychological theory. This article addresses several issues with the classic divergent-thinking methodology and presents a new theoretical and methodological framework for cognitive divergent-thinking studies. A secondary analysis of a large dataset of divergent-thinking responses is presented. Latent semantic analysis was used to examine the potential changes in semantic distance between responses and the concept represented by the divergent-thinking prompt across successive response iterations. The results of linear growth modeling showed that although there is some linear increase in semantic distance across response iterations, participants high in fluid intelligence tended to give more distant initial responses than those with lower fluid intelligence. Additional analyses showed that the semantic distance of responses significantly predicted the average creativity rating given to the response, with significant variation in average levels of creativity across participants. Finally, semantic distance does not seem to be related to participants' choices of their own most creative responses. Implications for cognitive theories of creativity are discussed, along with the limitations of the methodology and directions for future research.

Invertibility of retarded response functions for Laplace transformable potentials: Application to one-body reduced density matrix functional theory.

PubMed

Giesbertz, K J H

2015-08-07

A theorem for the invertibility of arbitrary response functions is presented under the following conditions: the time dependence of the potentials should be Laplace transformable and the initial state should be a ground state, though it might be degenerate. This theorem provides a rigorous foundation for all density-functional-like theories in the time-dependent linear response regime. Especially for time-dependent one-body reduced density matrix (1RDM) functional theory, this is an important step forward, since a solid foundation has currently been lacking. The theorem is equally valid for static response functions in the non-degenerate case, so can be used to characterize the uniqueness of the potential in the ground state version of the corresponding density-functional-like theory. Such a classification of the uniqueness of the non-local potential in ground state 1RDM functional theory has been lacking for decades. With the aid of presented invertibility theorem presented here, a complete classification of the non-uniqueness of the non-local potential in 1RDM functional theory can be given for the first time.

Feedback Functions, Optimization, and the Relation of Response Rate to Reinforcer Rate

ERIC Educational Resources Information Center

Soto, Paul L.; McDowell, Jack J.; Dallery, Jesse

2006-01-01

The present experiment arranged a series of inverted U-shaped feedback functions relating reinforcer rate to response rate to test whether responding was consistent with an optimization account or with a one-to-one relation of response rate to reinforcer rate such as linear system theory's rate equation or Herrnstein's hyperbola. Reinforcer rate…

Development and Application of Single-Referenced Perturbation and Coupled-Cluster Theories for Excited Electronic States

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Langhoff, Stephen R. (Technical Monitor)

1997-01-01

Recent work on the development of single-reference perturbation theories for the study of excited electronic states will be discussed. The utility of these methods will be demonstrated by comparison to linear-response coupled-cluster excitation energies. Results for some halogen molecules of interest in stratospheric chemistry will be presented.

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

Moradi, Afshin, E-mail: a.moradi@kut.ac.ir

We develop the Maxwell-Garnett theory for the effective medium approximation of composite materials with metallic nanoparticles by taking into account the quantum spatial dispersion effects in dielectric response of nanoparticles. We derive a quantum nonlocal generalization of the standard Maxwell-Garnett formula, by means the linearized quantum hydrodynamic theory in conjunction with the Poisson equation as well as the appropriate additional quantum boundary conditions.

Theory of correlation in a network with synaptic depression

NASA Astrophysics Data System (ADS)

Igarashi, Yasuhiko; Oizumi, Masafumi; Okada, Masato

2012-01-01

Synaptic depression affects not only the mean responses of neurons but also the correlation of response variability in neural populations. Although previous studies have constructed a theory of correlation in a spiking neuron model by using the mean-field theory framework, synaptic depression has not been taken into consideration. We expanded the previous theoretical framework in this study to spiking neuron models with short-term synaptic depression. On the basis of this theory we analytically calculated neural correlations in a ring attractor network with Mexican-hat-type connectivity, which was used as a model of the primary visual cortex. The results revealed that synaptic depression reduces neural correlation, which could be beneficial for sensory coding. Furthermore, our study opens the way for theoretical studies on the effect of interaction change on the linear response function in large stochastic networks.

Quantum Fisher Information as a function response to a weak external perturbation

NASA Astrophysics Data System (ADS)

Rojas, Fernando; Maytorena, Jesus A.

The quantum fisher information (QFI) is known as a good indicator of entanglement in a multipartite systems. In this work we show that it can be treated as an induced response to an external field, in the same spirit of the usual linear response theory, with respect to a linear combination of observables of each subsystem. We derive an expression for a corresponding linear dynamical susceptibilitywhich contains relevant information about entanglement properties of a multipartite system. This approach is applied to investigate the hybrid entanglement in the driven Jaynes-Cummings model. The Fisher susceptibility response function is obtained and allows us to characterize the changes on quantum correlations between the qubit and photon states, in terms of the driving frequency, atom-field coupling, and temperature. We acknowledge financial support from DGAPA PAPPIT IN105717.

Item Response Theory and Health Outcomes Measurement in the 21st Century

PubMed Central

Hays, Ron D.; Morales, Leo S.; Reise, Steve P.

2006-01-01

Item response theory (IRT) has a number of potential advantages over classical test theory in assessing self-reported health outcomes. IRT models yield invariant item and latent trait estimates (within a linear transformation), standard errors conditional on trait level, and trait estimates anchored to item content. IRT also facilitates evaluation of differential item functioning, inclusion of items with different response formats in the same scale, and assessment of person fit and is ideally suited for implementing computer adaptive testing. Finally, IRT methods can be helpful in developing better health outcome measures and in assessing change over time. These issues are reviewed, along with a discussion of some of the methodological and practical challenges in applying IRT methods. PMID:10982088

Log-Multiplicative Association Models as Item Response Models

ERIC Educational Resources Information Center

Anderson, Carolyn J.; Yu, Hsiu-Ting

2007-01-01

Log-multiplicative association (LMA) models, which are special cases of log-linear models, have interpretations in terms of latent continuous variables. Two theoretical derivations of LMA models based on item response theory (IRT) arguments are presented. First, we show that Anderson and colleagues (Anderson & Vermunt, 2000; Anderson & Bockenholt,…

Linear spin-2 fields in most general backgrounds

NASA Astrophysics Data System (ADS)

Bernard, Laura; Deffayet, Cédric; Schmidt-May, Angnis; von Strauss, Mikael

2016-04-01

We derive the full perturbative equations of motion for the most general background solutions in ghost-free bimetric theory in its metric formulation. Clever field redefinitions at the level of fluctuations enable us to circumvent the problem of varying a square-root matrix appearing in the theory. This greatly simplifies the expressions for the linear variation of the bimetric interaction terms. We show that these field redefinitions exist and are uniquely invertible if and only if the variation of the square-root matrix itself has a unique solution, which is a requirement for the linearized theory to be well defined. As an application of our results we examine the constraint structure of ghost-free bimetric theory at the level of linear equations of motion for the first time. We identify a scalar combination of equations which is responsible for the absence of the Boulware-Deser ghost mode in the theory. The bimetric scalar constraint is in general not manifestly covariant in its nature. However, in the massive gravity limit the constraint assumes a covariant form when one of the interaction parameters is set to zero. For that case our analysis provides an alternative and almost trivial proof of the absence of the Boulware-Deser ghost. Our findings generalize previous results in the metric formulation of massive gravity and also agree with studies of its vielbein version.

Role of excited state solvent fluctuations on time-dependent fluorescence Stokes shift

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

Li, Tanping, E-mail: tanping@lsu.edu, E-mail: revatik@lsu.edu; Kumar, Revati, E-mail: tanping@lsu.edu, E-mail: revatik@lsu.edu

2015-11-07

We explore the connection between the solvation dynamics of a chromophore upon photon excitation and equilibrium fluctuations of the solvent. Using molecular dynamics simulations, fluorescence Stokes shift for the tryptophan in Staphylococcus nuclease was examined using both nonequilibrium calculations and linear response theory. When the perturbed and unperturbed surfaces exhibit different solvent equilibrium fluctuations, the linear response approach on the former surface shows agreement with the nonequilibrium process. This agreement is excellent when the perturbed surface exhibits Gaussian statistics and qualitative in the case of an isomerization induced non-Gaussian statistics. However, the linear response theory on the unperturbed surface breaksmore » down even in the presence of Gaussian fluctuations. Experiments also provide evidence of the connection between the excited state solvent fluctuations and the total fluorescence shift. These observations indicate that the equilibrium statistics on the excited state surface characterize the relaxation dynamics of the fluorescence Stokes shift. Our studies specifically analyze the Gaussian fluctuations of the solvent in the complex protein environment and further confirm the role of solvent fluctuations on the excited state surface. The results are consistent with previous investigations, found in the literature, of solutes dissolved in liquids.« less

ASTROP2-LE: A Mistuned Aeroelastic Analysis System Based on a Two Dimensional Linearized Euler Solver

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.; Srivastava, R.; Mehmed, Oral

2002-01-01

An aeroelastic analysis system for flutter and forced response analysis of turbomachines based on a two-dimensional linearized unsteady Euler solver has been developed. The ASTROP2 code, an aeroelastic stability analysis program for turbomachinery, was used as a basis for this development. The ASTROP2 code uses strip theory to couple a two dimensional aerodynamic model with a three dimensional structural model. The code was modified to include forced response capability. The formulation was also modified to include aeroelastic analysis with mistuning. A linearized unsteady Euler solver, LINFLX2D is added to model the unsteady aerodynamics in ASTROP2. By calculating the unsteady aerodynamic loads using LINFLX2D, it is possible to include the effects of transonic flow on flutter and forced response in the analysis. The stability is inferred from an eigenvalue analysis. The revised code, ASTROP2-LE for ASTROP2 code using Linearized Euler aerodynamics, is validated by comparing the predictions with those obtained using linear unsteady aerodynamic solutions.

Gauge invariance of excitonic linear and nonlinear optical response

NASA Astrophysics Data System (ADS)

Taghizadeh, Alireza; Pedersen, T. G.

2018-05-01

We study the equivalence of four different approaches to calculate the excitonic linear and nonlinear optical response of multiband semiconductors. These four methods derive from two choices of gauge, i.e., length and velocity gauges, and two ways of computing the current density, i.e., direct evaluation and evaluation via the time-derivative of the polarization density. The linear and quadratic response functions are obtained for all methods by employing a perturbative density-matrix approach within the mean-field approximation. The equivalence of all four methods is shown rigorously, when a correct interaction Hamiltonian is employed for the velocity gauge approaches. The correct interaction is written as a series of commutators containing the unperturbed Hamiltonian and position operators, which becomes equivalent to the conventional velocity gauge interaction in the limit of infinite Coulomb screening and infinitely many bands. As a case study, the theory is applied to hexagonal boron nitride monolayers, and the linear and nonlinear optical response found in different approaches are compared.

Fundamental aspects of steady-state conversion of heat to work at the nanoscale

NASA Astrophysics Data System (ADS)

Benenti, Giuliano; Casati, Giulio; Saito, Keiji; Whitney, Robert S.

2017-06-01

In recent years, the study of heat to work conversion has been re-invigorated by nanotechnology. Steady-state devices do this conversion without any macroscopic moving parts, through steady-state flows of microscopic particles such as electrons, photons, phonons, etc. This review aims to introduce some of the theories used to describe these steady-state flows in a variety of mesoscopic or nanoscale systems. These theories are introduced in the context of idealized machines which convert heat into electrical power (heat-engines) or convert electrical power into a heat flow (refrigerators). In this sense, the machines could be categorized as thermoelectrics, although this should be understood to include photovoltaics when the heat source is the sun. As quantum mechanics is important for most such machines, they fall into the field of quantum thermodynamics. In many cases, the machines we consider have few degrees of freedom, however the reservoirs of heat and work that they interact with are assumed to be macroscopic. This review discusses different theories which can take into account different aspects of mesoscopic and nanoscale physics, such as coherent quantum transport, magnetic-field induced effects (including topological ones such as the quantum Hall effect), and single electron charging effects. It discusses the efficiency of thermoelectric conversion, and the thermoelectric figure of merit. More specifically, the theories presented are (i) linear response theory with or without magnetic fields, (ii) Landauer scattering theory in the linear response regime and far from equilibrium, (iii) Green-Kubo formula for strongly interacting systems within the linear response regime, (iv) rate equation analysis for small quantum machines with or without interaction effects, (v) stochastic thermodynamic for fluctuating small systems. In all cases, we place particular emphasis on the fundamental questions about the bounds on ideal machines. Can magnetic-fields change the bounds on power or efficiency? What is the relationship between quantum theories of transport and the laws of thermodynamics? Does quantum mechanics place fundamental bounds on heat to work conversion which are absent in the thermodynamics of classical systems?

Design sensitivity analysis of nonlinear structural response

NASA Technical Reports Server (NTRS)

Cardoso, J. B.; Arora, J. S.

1987-01-01

A unified theory is described of design sensitivity analysis of linear and nonlinear structures for shape, nonshape and material selection problems. The concepts of reference volume and adjoint structure are used to develop the unified viewpoint. A general formula for design sensitivity analysis is derived. Simple analytical linear and nonlinear examples are used to interpret various terms of the formula and demonstrate its use.

Parameter Recovery for the 1-P HGLLM with Non-Normally Distributed Level-3 Residuals

ERIC Educational Resources Information Center

Kara, Yusuf; Kamata, Akihito

2017-01-01

A multilevel Rasch model using a hierarchical generalized linear model is one approach to multilevel item response theory (IRT) modeling and is referred to as a one-parameter hierarchical generalized linear logistic model (1-P HGLLM). Although it has the flexibility to model nested structure of data with covariates, the model assumes the normality…

Nonlinear response from transport theory and quantum field theory at finite temperature

NASA Astrophysics Data System (ADS)

Carrington, M. E.; Defu, Hou; Kobes, R.

2001-07-01

We study the nonlinear response in weakly coupled hot φ4 theory. We obtain an expression for a quadratic shear viscous response coefficient using two different formalisms: transport theory and response theory. The transport theory calculation is done by assuming a local equilibrium form for the distribution function and expanding in the gradient of the local four dimensional velocity field. By performing a Chapman-Enskog expansion on the Boltzmann equation we obtain a hierarchy of equations for the coefficients of the expanded distribution function. To do the response theory calculation we use Zubarev's techniques in nonequilibrium statistical mechanics to derive a generalized Kubo formula. Using this formula allows us to obtain the quadratic shear viscous response from the three-point retarded Green function of the viscous shear stress tensor. We use the closed time path formalism of real time finite temperature field theory to show that this three-point function can be calculated by writing it as an integral equation involving a four-point vertex. This four-point vertex can in turn be obtained from an integral equation which represents the resummation of an infinite series of ladder and extended-ladder diagrams. The connection between transport theory and response theory is made when we show that the integral equation for this four-point vertex has exactly the same form as the equation obtained from the Boltzmann equation for the coefficient of the quadratic term of the gradient expansion of the distribution function. We conclude that calculating the quadratic shear viscous response using transport theory and keeping terms that are quadratic in the gradient of the velocity field in the Chapman-Enskog expansion of the Boltzmann equation is equivalent to calculating the quadratic shear viscous response from response theory using the next-to-linear response Kubo formula, with a vertex given by an infinite resummation of ladder and extended-ladder diagrams.

Linear and non-linear infrared response of one-dimensional vibrational Holstein polarons in the anti-adiabatic limit: Optical and acoustical phonon models

NASA Astrophysics Data System (ADS)

Falvo, Cyril

2018-02-01

The theory of linear and non-linear infrared response of vibrational Holstein polarons in one-dimensional lattices is presented in order to identify the spectral signatures of self-trapping phenomena. Using a canonical transformation, the optical response is computed from the small polaron point of view which is valid in the anti-adiabatic limit. Two types of phonon baths are considered: optical phonons and acoustical phonons, and simple expressions are derived for the infrared response. It is shown that for the case of optical phonons, the linear response can directly probe the polaron density of states. The model is used to interpret the experimental spectrum of crystalline acetanilide in the C=O range. For the case of acoustical phonons, it is shown that two bound states can be observed in the two-dimensional infrared spectrum at low temperature. At high temperature, analysis of the time-dependence of the two-dimensional infrared spectrum indicates that bath mediated correlations slow down spectral diffusion. The model is used to interpret the experimental linear-spectroscopy of model α-helix and β-sheet polypeptides. This work shows that the Davydov Hamiltonian cannot explain the observations in the NH stretching range.

A molecular Debye-Hückel theory and its applications to electrolyte solutions: The size asymmetric case

DOE PAGES

Xiao, Tiejun; Song, Xueyu

2017-03-28

We developed a molecular Debye-Hückel theory for electrolyte solutions with size asymmetry, where the dielectric response of an electrolyte solution is described by a linear combination of Debye-Hückel-like response modes. Furthermore, as the size asymmetry of an electrolyte solution leads to a charge imbalanced border zone around a solute, the dielectric response to the solute is characterized by two types of charge sources, namely, a bare solute charge and a charge distribution due to size asymmetry. These two kinds of charge sources are screened by the solvent differently, our theory presents a method to calculate the mean electric potential asmore » well as the electrostatic contributions to thermodynamic properties. Finally, the theory was successfully applied to binary as well as multi-component primitive models of electrolyte solutions.« less

On the formulation of the aerodynamic characteristics in aircraft dynamics

NASA Technical Reports Server (NTRS)

Tobak, M.; Schiff, L. B.

1976-01-01

The theory of functionals is used to reformulate the notions of aerodynamic indicial functions and superposition. Integral forms for the aerodynamic response to arbitrary motions are derived that are free of dependence on a linearity assumption. Simplifications of the integral forms lead to practicable nonlinear generalizations of the linear superpositions and stability derivative formulations. Applied to arbitrary nonplanar motions, the generalization yields a form for the aerodynamic response that can be compounded of the contributions from a limited number of well-defined characteristic motions, in principle reproducible in the wind tunnel. Further generalizations that would enable the consideration of random fluctuations and multivalued aerodynamic responses are indicated.

On spurious detection of linear response and misuse of the fluctuation-dissipation theorem in finite time series

NASA Astrophysics Data System (ADS)

Gottwald, Georg A.; Wormell, J. P.; Wouters, Jeroen

2016-09-01

Using a sensitive statistical test we determine whether or not one can detect the breakdown of linear response given observations of deterministic dynamical systems. A goodness-of-fit statistics is developed for a linear statistical model of the observations, based on results for central limit theorems for deterministic dynamical systems, and used to detect linear response breakdown. We apply the method to discrete maps which do not obey linear response and show that the successful detection of breakdown depends on the length of the time series, the magnitude of the perturbation and on the choice of the observable. We find that in order to reliably reject the assumption of linear response for typical observables sufficiently large data sets are needed. Even for simple systems such as the logistic map, one needs of the order of 106 observations to reliably detect the breakdown with a confidence level of 95 %; if less observations are available one may be falsely led to conclude that linear response theory is valid. The amount of data required is larger the smaller the applied perturbation. For judiciously chosen observables the necessary amount of data can be drastically reduced, but requires detailed a priori knowledge about the invariant measure which is typically not available for complex dynamical systems. Furthermore we explore the use of the fluctuation-dissipation theorem (FDT) in cases with limited data length or coarse-graining of observations. The FDT, if applied naively to a system without linear response, is shown to be very sensitive to the details of the sampling method, resulting in erroneous predictions of the response.

Item Response Theory Using Hierarchical Generalized Linear Models

ERIC Educational Resources Information Center

Ravand, Hamdollah

2015-01-01

Multilevel models (MLMs) are flexible in that they can be employed to obtain item and person parameters, test for differential item functioning (DIF) and capture both local item and person dependence. Papers on the MLM analysis of item response data have focused mostly on theoretical issues where applications have been add-ons to simulation…

Extended Mixed-Efects Item Response Models with the MH-RM Algorithm

ERIC Educational Resources Information Center

Chalmers, R. Philip

2015-01-01

A mixed-effects item response theory (IRT) model is presented as a logical extension of the generalized linear mixed-effects modeling approach to formulating explanatory IRT models. Fixed and random coefficients in the extended model are estimated using a Metropolis-Hastings Robbins-Monro (MH-RM) stochastic imputation algorithm to accommodate for…

A Novel Nonlinear Piezoelectric Energy Harvesting System Based on Linear-Element Coupling: Design, Modeling and Dynamic Analysis.

PubMed

Zhou, Shengxi; Yan, Bo; Inman, Daniel J

2018-05-09

This paper presents a novel nonlinear piezoelectric energy harvesting system which consists of linear piezoelectric energy harvesters connected by linear springs. In principle, the presented nonlinear system can improve broadband energy harvesting efficiency where magnets are forbidden. The linear spring inevitably produces the nonlinear spring force on the connected harvesters, because of the geometrical relationship and the time-varying relative displacement between two adjacent harvesters. Therefore, the presented nonlinear system has strong nonlinear characteristics. A theoretical model of the presented nonlinear system is deduced, based on Euler-Bernoulli beam theory, Kirchhoff’s law, piezoelectric theory and the relevant geometrical relationship. The energy harvesting enhancement of the presented nonlinear system (when n = 2, 3) is numerically verified by comparing with its linear counterparts. In the case study, the output power area of the presented nonlinear system with two and three energy harvesters is 268.8% and 339.8% of their linear counterparts, respectively. In addition, the nonlinear dynamic response characteristics are analyzed via bifurcation diagrams, Poincare maps of the phase trajectory, and the spectrum of the output voltage.

On the linear relation between the mean and the standard deviation of a response time distribution.

PubMed

Wagenmakers, Eric-Jan; Brown, Scott

2007-07-01

Although it is generally accepted that the spread of a response time (RT) distribution increases with the mean, the precise nature of this relation remains relatively unexplored. The authors show that in several descriptive RT distributions, the standard deviation increases linearly with the mean. Results from a wide range of tasks from different experimental paradigms support a linear relation between RT mean and RT standard deviation. Both R. Ratcliff's (1978) diffusion model and G. D. Logan's (1988) instance theory of automatization provide explanations for this linear relation. The authors identify and discuss 3 specific boundary conditions for the linear law to hold. The law constrains RT models and supports the use of the coefficient of variation to (a) compare variability while controlling for differences in baseline speed of processing and (b) assess whether changes in performance with practice are due to quantitative speedup or qualitative reorganization. Copyright 2007 APA.

A modular approach for item response theory modeling with the R package flirt.

PubMed

Jeon, Minjeong; Rijmen, Frank

2016-06-01

The new R package flirt is introduced for flexible item response theory (IRT) modeling of psychological, educational, and behavior assessment data. flirt integrates a generalized linear and nonlinear mixed modeling framework with graphical model theory. The graphical model framework allows for efficient maximum likelihood estimation. The key feature of flirt is its modular approach to facilitate convenient and flexible model specifications. Researchers can construct customized IRT models by simply selecting various modeling modules, such as parametric forms, number of dimensions, item and person covariates, person groups, link functions, etc. In this paper, we describe major features of flirt and provide examples to illustrate how flirt works in practice.

Towards a unifying theory for the first-, second-, and third-order molecular (non)linear optical response

NASA Astrophysics Data System (ADS)

Pérez-Moreno, Javier; Clays, Koen; Kuzyk, Mark G.

2010-05-01

We present a procedure for the modeling of the dispersion of the nonlinear optical response of complex molecular structures that is based strictly on the results from experimental characterization. We show how under some general conditions, the use of the Thomas-Kuhn sum-rules leads to a successful modeling of the nonlinear response of complex molecular structures.

First-principles simulations of doping-dependent mesoscale screening of adatoms in graphene

NASA Astrophysics Data System (ADS)

Mostofi, Arash; Corsetti, Fabiano; Wong, Dillon; Crommie, Michael; Lischner, Johannes

Adsorbed atoms and molecules play an important role in controlling and tuning the functional properties of 2D materials. Understanding and predicting this phenomenon from theory is challenging because of the need to capture both the local chemistry of the adsorbate-substrate interaction and its complex interplay with the long-range screening response of the substrate. To address this challenge, we have developed a first-principles multi-scale approach that combines linear-scaling density-functional theory, continuum screening theory and large-scale tight-binding simulations. Focussing on the case of a calcium adatom on graphene, we draw comparison between the effect of (i) non-linearity, (ii) intraband and interband transitions, and (iii) the exchange-correlation potential, thus providing insight into the relative importance of these different factors on the screening response. We also determine the charge transfer from the adatom to the graphene substrate (the key parameter used in continuum screening models), showing it to be significantly larger than previous estimates. AM and FC acknowledge support of the EPSRC under Grant EP/J015059/1, and JL under Grant EP/N005244/1.

Maximized Gust Loads of a Closed-Loop, Nonlinear Aeroelastic System Using Nonlinear Systems Theory

NASA Technical Reports Server (NTRS)

Silva, Walter A.

1999-01-01

The problem of computing the maximized gust load for a nonlinear, closed-loop aeroelastic aircraft is discusses. The Volterra theory of nonlinear systems is applied in order to define a linearized system that provides a bounds on the response of the nonlinear system of interest. The method is applied to a simplified model of an Airbus A310.

The economics of leaf-gas exchange in a fluctuating environment and their upscaling to the canopy-level using turbulent transport theories

NASA Astrophysics Data System (ADS)

Katul, G. G.; Palmroth, S.; Manzoni, S.; Oren, R.

2012-12-01

Global climate models predict decreases in leaf stomatal conductance (gs) and transpiration due to increases in atmospheric CO2. The consequences of these reductions are increases in soil moisture availability and continental scale run-off at decadal time-scales. Thus, a theory explaining the differential sensitivity of stomata to changing atmospheric CO2 and other environmental conditions such as soil moisture at the ecosystem scale must be identified. Here, these responses are investigated using an optimality theory applied to stomatal conductance. An analytical model for gs is first proposed based on (a) Fickian mass transfer of CO2 and H2O through stomata; (b) a biochemical photosynthesis model that relates intercellular CO2 to net photosynthesis; and (c) a stomatal model based on optimization for maximizing carbon gains when water losses represent a cost. The optimization theory produced three gas exchange responses that are consistent with observations across a wide-range of species: (1) the sensitivity of gs to vapour pressure deficit (D) is similar to that obtained from a previous synthesis of more than 40 species, (2) the theory is consistent with the onset of an apparent 'feed-forward' mechanism in gs, and (3) the emergent non-linear relationship between the ratio of intercellular to atmospheric CO2 (ci/ca) and D agrees with the results available on this response. A simplified version of this leaf-scale approach recovers the linear relationship between stomatal conductance and leaf-photosynthesis employed in numerous climate models that currently use a variant on the 'Ball-Berry' or the 'Leuning' approaches provided the marginal water use efficiency increases linearly with atmospheric CO2. The model is then up-scaled to the canopy-level using novel theories about the structure of turbulence inside vegetation. This up-scaling proved to be effective in resolving the complex (and two-way) interactions between leaves and their immediate micro-climate. Extensions of this optimality approach to drought and salt-stressed cases are briefly presented.

The Adiabatic Theorem and Linear Response Theory for Extended Quantum Systems

NASA Astrophysics Data System (ADS)

Bachmann, Sven; De Roeck, Wojciech; Fraas, Martin

2018-03-01

The adiabatic theorem refers to a setup where an evolution equation contains a time-dependent parameter whose change is very slow, measured by a vanishing parameter ɛ. Under suitable assumptions the solution of the time-inhomogenous equation stays close to an instantaneous fixpoint. In the present paper, we prove an adiabatic theorem with an error bound that is independent of the number of degrees of freedom. Our setup is that of quantum spin systems where the manifold of ground states is separated from the rest of the spectrum by a spectral gap. One important application is the proof of the validity of linear response theory for such extended, genuinely interacting systems. In general, this is a long-standing mathematical problem, which can be solved in the present particular case of a gapped system, relevant e.g. for the integer quantum Hall effect.

Oscillator strengths, first-order properties, and nuclear gradients for local ADC(2).

PubMed

Schütz, Martin

2015-06-07

We describe theory and implementation of oscillator strengths, orbital-relaxed first-order properties, and nuclear gradients for the local algebraic diagrammatic construction scheme through second order. The formalism is derived via time-dependent linear response theory based on a second-order unitary coupled cluster model. The implementation presented here is a modification of our previously developed algorithms for Laplace transform based local time-dependent coupled cluster linear response (CC2LR); the local approximations thus are state specific and adaptive. The symmetry of the Jacobian leads to considerable simplifications relative to the local CC2LR method; as a result, a gradient evaluation is about four times less expensive. Test calculations show that in geometry optimizations, usually very similar geometries are obtained as with the local CC2LR method (provided that a second-order method is applicable). As an exemplary application, we performed geometry optimizations on the low-lying singlet states of chlorophyllide a.

Stokes paradox in electronic Fermi liquids

NASA Astrophysics Data System (ADS)

Lucas, Andrew

2017-03-01

The Stokes paradox is the statement that in a viscous two-dimensional fluid, the "linear response" problem of fluid flow around an obstacle is ill posed. We present a simple consequence of this paradox in the hydrodynamic regime of a Fermi liquid of electrons in two-dimensional metals. Using hydrodynamics and kinetic theory, we estimate the contribution of a single cylindrical obstacle to the global electrical resistance of a material, within linear response. Momentum relaxation, present in any realistic electron liquid, resolves the classical paradox. Nonetheless, this paradox imprints itself in the resistance, which can be parametrically larger than predicted by Ohmic transport theory. We find a remarkably rich set of behaviors, depending on whether or not the quasiparticle dynamics in the Fermi liquid should be treated as diffusive, hydrodynamic, or ballistic on the length scale of the obstacle. We argue that all three types of behavior are observable in present day experiments.

Conceptual developments of non-equilibrium statistical mechanics in the early days of Japan

NASA Astrophysics Data System (ADS)

Ichiyanagi, Masakazu

1995-11-01

This paper reviews the research in nonequilibrium statistical mechanics made in Japan in the period between 1930 and 1960. Nearly thirty years have passed since the discovery of the exact formula for the electrical conductivity. With the rise of the linear response theory, the methods and results of which are quickly grasped by anyone, its rationale was pushed aside and even at the stage where the formulation was still incomplete some authors hurried to make physical applications. Such an attitude robbed it of most of its interest for the average physicist, who would approach an understanding of some basic concept, not through abstract and logical analysis but by simply increasing his technical experiences with the concept. The purpose of this review is to rescue the linear response theory from being labeled a mathematical tool and to show that it has considerable physical content. Many key papers, originally written in Japanese, are reproduced.

A Hybrid Density Functional Theory/Molecular Mechanics Approach for Linear Response Properties in Heterogeneous Environments.

PubMed

Rinkevicius, Zilvinas; Li, Xin; Sandberg, Jaime A R; Mikkelsen, Kurt V; Ågren, Hans

2014-03-11

We introduce a density functional theory/molecular mechanical approach for computation of linear response properties of molecules in heterogeneous environments, such as metal surfaces or nanoparticles embedded in solvents. The heterogeneous embedding environment, consisting from metallic and nonmetallic parts, is described by combined force fields, where conventional force fields are used for the nonmetallic part and capacitance-polarization-based force fields are used for the metallic part. The presented approach enables studies of properties and spectra of systems embedded in or placed at arbitrary shaped metallic surfaces, clusters, or nanoparticles. The capability and performance of the proposed approach is illustrated by sample calculations of optical absorption spectra of thymidine absorbed on gold surfaces in an aqueous environment, where we study how different organizations of the gold surface and how the combined, nonadditive effect of the two environments is reflected in the optical absorption spectrum.

Mathematical Techniques for Nonlinear System Theory.

DTIC Science & Technology

1981-09-01

This report deals with research results obtained in the following areas: (1) Finite-dimensional linear system theory by algebraic methods--linear...Infinite-dimensional linear systems--realization theory of infinite-dimensional linear systems; (3) Nonlinear system theory --basic properties of

Synthesis, characterization and calculated non-linear optical properties of two new chalcones

NASA Astrophysics Data System (ADS)

Singh, Ashok Kumar; Saxena, Gunjan; Prasad, Rajendra; Kumar, Abhinav

2012-06-01

Two new chalcones viz 3-(4-(benzyloxy)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one (1) and 3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one (2) have been prepared and characterized by micro analyses, 1H NMR, IR, UV-Vis spectroscopy and single crystal X-ray. The first static hyperpolarizability (β) for both the compounds has been investigated by density functional theory (DFT). Also, the solvent-induced effects on the non-linear optical properties (NLO) were studied by using self-consistent reaction field (SCRF) method. As the solvent polarity increases, the β value increases monotonically. The electronic absorption bands of both 1 and 2 have been assigned by time dependent density functional theory (TD-DFT). Both the compounds displayed better non-linear optical (NLO) responses than the standard p-nitroaniline (pNA).

Transient response of multidegree-of-freedom linear systems to forcing functions with inequality constraints

NASA Technical Reports Server (NTRS)

Michalopoulos, C. D.

1974-01-01

Optimal control theory is applied to analyze the transient response of discrete linear systems to forcing functions with unknown time dependence but having known bounds. Particular attention is given to forcing functions which include: (1) maximum displacement of any given mass element, (2) maximum relative displacement of any two adjacent masses, and (3) maximum acceleration of a given mass. Linear mechanical systems with an arbitrary number of degrees of freedom and only one forcing function acting are considered. In the general case, the desired forcing function is found to be a function that switches from the upper-to-lower bound and vice-versa at certain moments of time. A general procedure for finding such switching times is set forth.

Aerodynamic preliminary analysis system. Part 1: Theory. [linearized potential theory

NASA Technical Reports Server (NTRS)

Bonner, E.; Clever, W.; Dunn, K.

1978-01-01

A comprehensive aerodynamic analysis program based on linearized potential theory is described. The solution treats thickness and attitude problems at subsonic and supersonic speeds. Three dimensional configurations with or without jet flaps having multiple non-planar surfaces of arbitrary planform and open or closed slender bodies of non-circular contour may be analyzed. Longitudinal and lateral-directional static and rotary derivative solutions may be generated. The analysis was implemented on a time sharing system in conjunction with an input tablet digitizer and an interactive graphics input/output display and editing terminal to maximize its responsiveness to the preliminary analysis problem. Nominal case computation time of 45 CPU seconds on the CDC 175 for a 200 panel simulation indicates the program provides an efficient analysis for systematically performing various aerodynamic configuration tradeoff and evaluation studies.

Beyond the electric-dipole approximation: A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation.

PubMed

List, Nanna Holmgaard; Kauczor, Joanna; Saue, Trond; Jensen, Hans Jørgen Aagaard; Norman, Patrick

2015-06-28

We present a formulation of molecular response theory for the description of a quantum mechanical molecular system in the presence of a weak, monochromatic, linearly polarized electromagnetic field without introducing truncated multipolar expansions. The presentation focuses on a description of linear absorption by adopting the energy-loss approach in combination with the complex polarization propagator formulation of response theory. Going beyond the electric-dipole approximation is essential whenever studying electric-dipole-forbidden transitions, and in general, non-dipolar effects become increasingly important when addressing spectroscopies involving higher-energy photons. These two aspects are examined by our study of the near K-edge X-ray absorption fine structure of the alkaline earth metals (Mg, Ca, Sr, Ba, and Ra) as well as the trans-polyenes. In following the series of alkaline earth metals, the sizes of non-dipolar effects are probed with respect to increasing photon energies and a detailed assessment of results is made in terms of studying the pertinent transition electron densities and in particular their spatial extension in comparison with the photon wavelength. Along the series of trans-polyenes, the sizes of non-dipolar effects are probed for X-ray spectroscopies on organic molecules with respect to the spatial extension of the chromophore.

Heinz-Dietrich Doebner — an accomplished octogenarian

NASA Astrophysics Data System (ADS)

Boyle, L. L.

2012-02-01

A scientific biography of Heinz-Dietrich Doebner is presented on the occasion of his 80th birthday. Doebner has been responsible for fostering the development of theoretical physics both in Germany and internationally. His scientific interests have centred around the quantum theory of both linear and non-linear systems moving on manifolds for which a technique known as Borel quantisation was developed in his group at Clausthal. He was responsible for establishing the Arnold Sommerfeld Institute within the Theoretical Physics Department at Clausthal. This provided a base for visiting scientists for many of whom funding was obtained from various sources.

Reduced-Order Models Based on Linear and Nonlinear Aerodynamic Impulse Responses

NASA Technical Reports Server (NTRS)

Silva, Walter A.

1999-01-01

This paper discusses a method for the identification and application of reduced-order models based on linear and nonlinear aerodynamic impulse responses. The Volterra theory of nonlinear systems and an appropriate kernel identification technique are described. Insight into the nature of kernels is provided by applying the method to the nonlinear Riccati equation in a non-aerodynamic application. The method is then applied to a nonlinear aerodynamic model of RAE 2822 supercritical airfoil undergoing plunge motions using the CFL3D Navier-Stokes flow solver with the Spalart-Allmaras turbulence model. Results demonstrate the computational efficiency of the technique.

Reduced Order Models Based on Linear and Nonlinear Aerodynamic Impulse Responses

NASA Technical Reports Server (NTRS)

Silva, Walter A.

1999-01-01

This paper discusses a method for the identification and application of reduced-order models based on linear and nonlinear aerodynamic impulse responses. The Volterra theory of nonlinear systems and an appropriate kernel identification technique are described. Insight into the nature of kernels is provided by applying the method to the nonlinear Riccati equation in a non-aerodynamic application. The method is then applied to a nonlinear aerodynamic model of an RAE 2822 supercritical airfoil undergoing plunge motions using the CFL3D Navier-Stokes flow solver with the Spalart-Allmaras turbulence model. Results demonstrate the computational efficiency of the technique.

Quantum Kramers model: Corrections to the linear response theory for continuous bath spectrum

NASA Astrophysics Data System (ADS)

Rips, Ilya

2017-01-01

Decay of the metastable state is analyzed within the quantum Kramers model in the weak-to-intermediate dissipation regime. The decay kinetics in this regime is determined by energy exchange between the unstable mode and the stable modes of thermal bath. In our previous paper [Phys. Rev. A 42, 4427 (1990), 10.1103/PhysRevA.42.4427], Grabert's perturbative approach to well dynamics in the case of the discrete bath [Phys. Rev. Lett. 61, 1683 (1988), 10.1103/PhysRevLett.61.1683] has been extended to account for the second order terms in the classical equations of motion (EOM) for the stable modes. Account of the secular terms reduces EOM for the stable modes to those of the forced oscillator with the time-dependent frequency (TDF oscillator). Analytic expression for the characteristic function of energy loss of the unstable mode has been derived in terms of the generating function of the transition probabilities for the quantum forced TDF oscillator. In this paper, the approach is further developed and applied to the case of the continuous frequency spectrum of the bath. The spectral density functions of the bath of stable modes are expressed in terms of the dissipative properties (the friction function) of the original bath. They simplify considerably for the one-dimensional systems, when the density of phonon states is constant. Explicit expressions for the fourth order corrections to the linear response theory result for the characteristic function of the energy loss and its cumulants are obtained for the particular case of the cubic potential with Ohmic (Markovian) dissipation. The range of validity of the perturbative approach in this case is determined (γ /ωb<0.26 ), which includes the turnover region. The dominant correction to the linear response theory result is associated with the "work function" and leads to reduction of the average energy loss and its dispersion. This reduction increases with the increasing dissipation strength (up to ˜10 % ) within the range of validity of the approach. We have also calculated corrections to the depopulation factor and the escape rate for the quantum and for the classical Kramers models. Results for the classical escape rate are in very good agreement with the numerical simulations for high barriers. The results can serve as an additional proof of the robustness and accuracy of the linear response theory.

Quantum Kramers model: Corrections to the linear response theory for continuous bath spectrum.

PubMed

Rips, Ilya

2017-01-01

Decay of the metastable state is analyzed within the quantum Kramers model in the weak-to-intermediate dissipation regime. The decay kinetics in this regime is determined by energy exchange between the unstable mode and the stable modes of thermal bath. In our previous paper [Phys. Rev. A 42, 4427 (1990)PLRAAN1050-294710.1103/PhysRevA.42.4427], Grabert's perturbative approach to well dynamics in the case of the discrete bath [Phys. Rev. Lett. 61, 1683 (1988)PRLTAO0031-900710.1103/PhysRevLett.61.1683] has been extended to account for the second order terms in the classical equations of motion (EOM) for the stable modes. Account of the secular terms reduces EOM for the stable modes to those of the forced oscillator with the time-dependent frequency (TDF oscillator). Analytic expression for the characteristic function of energy loss of the unstable mode has been derived in terms of the generating function of the transition probabilities for the quantum forced TDF oscillator. In this paper, the approach is further developed and applied to the case of the continuous frequency spectrum of the bath. The spectral density functions of the bath of stable modes are expressed in terms of the dissipative properties (the friction function) of the original bath. They simplify considerably for the one-dimensional systems, when the density of phonon states is constant. Explicit expressions for the fourth order corrections to the linear response theory result for the characteristic function of the energy loss and its cumulants are obtained for the particular case of the cubic potential with Ohmic (Markovian) dissipation. The range of validity of the perturbative approach in this case is determined (γ/ω_{b}<0.26), which includes the turnover region. The dominant correction to the linear response theory result is associated with the "work function" and leads to reduction of the average energy loss and its dispersion. This reduction increases with the increasing dissipation strength (up to ∼10%) within the range of validity of the approach. We have also calculated corrections to the depopulation factor and the escape rate for the quantum and for the classical Kramers models. Results for the classical escape rate are in very good agreement with the numerical simulations for high barriers. The results can serve as an additional proof of the robustness and accuracy of the linear response theory.

Linear dark field control: simulation for implementation and testing on the UA wavefront control testbed

NASA Astrophysics Data System (ADS)

Miller, Kelsey; Guyon, Olivier

2016-07-01

This paper presents the early-stage simulation results of linear dark field control (LDFC) as a new approach to maintaining a stable dark hole within a stellar post-coronagraphic PSF. In practice, conventional speckle nulling is used to create a dark hole in the PSF, and LDFC is then employed to maintain the dark field by using information from the bright speckle field. The concept exploits the linear response of the bright speckle intensity to wavefront variations in the pupil, and therefore has many advantages over conventional speckle nulling as a method for stabilizing the dark hole. In theory, LDFC is faster, more sensitive, and more robust than using conventional speckle nulling techniques, like electric field conjugation, to maintain the dark hole. In this paper, LDFC theory, linear bright speckle characterization, and first results in simulation are presented as an initial step toward the deployment of LDFC on the UA Wavefront Control testbed in the coming year.

Hydroelastic response of a floating runway to cnoidal waves

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

Ertekin, R. C., E-mail: ertekin@hawaii.edu; Xia, Dingwu

2014-02-15

The hydroelastic response of mat-type Very Large Floating Structures (VLFSs) to severe sea conditions, such as tsunamis and hurricanes, must be assessed for safety and survivability. An efficient and robust nonlinear hydroelastic model is required to predict accurately the motion of and the dynamic loads on a VLFS due to such large waves. We develop a nonlinear theory to predict the hydroelastic response of a VLFS in the presence of cnoidal waves and compare the predictions with the linear theory that is also developed here. This hydroelastic problem is formulated by directly coupling the structure with the fluid, by usemore » of the Level I Green-Naghdi theory for the fluid motion and the Kirchhoff thin plate theory for the runway. The coupled fluid structure system, together with the appropriate jump conditions are solved in two-dimensions by the finite-difference method. The numerical model is used to study the nonlinear response of a VLFS to storm waves which are modeled by use of the cnoidal-wave theory. Parametric studies show that the nonlinearity of the waves is very important in accurately predicting the dynamic bending moment and wave run-up on a VLFS in high seas.« less

Development of Curved-Plate Elements for the Exact Buckling Analysis of Composite Plate Assemblies Including Transverse Shear Effects

NASA Technical Reports Server (NTRS)

McGowan, David M.; Anderson, Melvin S.

1998-01-01

The analytical formulation of curved-plate non-linear equilibrium equations that include transverse-shear-deformation effects is presented. A unified set of non-linear strains that contains terms from both physical and tensorial strain measures is used. Using several simplifying assumptions, linearized, stability equations are derived that describe the response of the plate just after bifurcation buckling occurs. These equations are then modified to allow the plate reference surface to be located a distance z(c), from the centroid surface which is convenient for modeling stiffened-plate assemblies. The implementation of the new theory into the VICONOPT buckling and vibration analysis and optimum design program code is described. Either classical plate theory (CPT) or first-order shear-deformation plate theory (SDPT) may be selected in VICONOPT. Comparisons of numerical results for several example problems with different loading states are made. Results from the new curved-plate analysis compare well with closed-form solution results and with results from known example problems in the literature. Finally, a design-optimization study of two different cylindrical shells subject to uniform axial compression is presented.

School Crisis Management: A Model of Dynamic Responsiveness to Crisis Life Cycle

ERIC Educational Resources Information Center

Liou, Yi-Hwa

2015-01-01

Purpose: This study aims to analyze a school's crisis management and explore emerging aspects of its response to a school crisis. Traditional linear modes of analysis often fail to address complex crisis situations. The present study applied a dynamic crisis life cycle model that draws on chaos and complexity theory to a crisis management case,…

Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory.

PubMed

Myhre, Rolf H; Coriani, Sonia; Koch, Henrik

2016-06-14

Core excited states are challenging to calculate, mainly because they are embedded in a manifold of high-energy valence-excited states. However, their locality makes their determination ideal for local correlation methods. In this paper, we demonstrate the performance of multilevel coupled cluster theory in computing core spectra both within the core-valence separated and the asymmetric Lanczos implementations of coupled cluster linear response theory. We also propose a visualization tool to analyze the excitations using the difference between the ground-state and excited-state electron densities.

Verification of the ideal magnetohydrodynamic response at rational surfaces in the VMEC code

DOE PAGES

Lazerson, Samuel A.; Loizu, Joaquim; Hirshman, Steven; ...

2016-01-13

The VMEC nonlinear ideal MHD equilibrium code [S. P. Hirshman and J. C. Whitson, Phys. Fluids 26, 3553 (1983)] is compared against analytic linear ideal MHD theory in a screw-pinch-like configuration. The focus of such analysis is to verify the ideal MHD response at magnetic surfaces which possess magnetic transform (ι) which is resonant with spectral values of the perturbed boundary harmonics. A large aspect ratio circular cross section zero-beta equilibrium is considered. This equilibrium possess a rational surface with safety factor q = 2 at a normalized flux value of 0.5. A small resonant boundary perturbation is introduced, excitingmore » a response at the resonant rational surface. The code is found to capture the plasma response as predicted by a newly developed analytic theory that ensures the existence of nested flux surfaces by allowing for a jump in rotational transform (ι=1/q). The VMEC code satisfactorily reproduces these theoretical results without the necessity of an explicit transform discontinuity (Δι) at the rational surface. It is found that the response across the rational surfaces depends upon both radial grid resolution and local shear (dι/dΦ, where ι is the rotational transform and Φ the enclosed toroidal flux). Calculations of an implicit Δι suggest that it does not arise due to numerical artifacts (attributed to radial finite differences in VMEC) or existence conditions for flux surfaces as predicted by linear theory (minimum values of Δι). Scans of the rotational transform profile indicate that for experimentally relevant levels of transform shear the response becomes increasing localised. Furthermore, careful examination of a large experimental tokamak equilibrium, with applied resonant fields, indicates that this shielding response is present, suggesting the phenomena is not limited to this verification exercise.« less

Nonlinear response of dense colloidal suspensions under oscillatory shear: mode-coupling theory and Fourier transform rheology experiments.

PubMed

Brader, J M; Siebenbürger, M; Ballauff, M; Reinheimer, K; Wilhelm, M; Frey, S J; Weysser, F; Fuchs, M

2010-12-01

Using a combination of theory, experiment, and simulation we investigate the nonlinear response of dense colloidal suspensions to large amplitude oscillatory shear flow. The time-dependent stress response is calculated using a recently developed schematic mode-coupling-type theory describing colloidal suspensions under externally applied flow. For finite strain amplitudes the theory generates a nonlinear response, characterized by significant higher harmonic contributions. An important feature of the theory is the prediction of an ideal glass transition at sufficiently strong coupling, which is accompanied by the discontinuous appearance of a dynamic yield stress. For the oscillatory shear flow under consideration we find that the yield stress plays an important role in determining the nonlinearity of the time-dependent stress response. Our theoretical findings are strongly supported by both large amplitude oscillatory experiments (with Fourier transform rheology analysis) on suspensions of thermosensitive core-shell particles dispersed in water and Brownian dynamics simulations performed on a two-dimensional binary hard-disk mixture. In particular, theory predicts nontrivial values of the exponents governing the final decay of the storage and loss moduli as a function of strain amplitude which are in good agreement with both simulation and experiment. A consistent set of parameters in the presented schematic model achieves to jointly describe linear moduli, nonlinear flow curves, and large amplitude oscillatory spectroscopy.

A simplified orthotropic formulation of the viscoplasticity theory based on overstress

NASA Technical Reports Server (NTRS)

Sutcu, M.; Krempl, E.

1988-01-01

An orthotropic, small strain viscoplasticity theory based on overstress is presented. In each preferred direction the stress is composed of time (rate) independent (or plastic) and viscous (or rate dependent) contributions. Tension-compression asymmetry can depend on direction and is included in the model. Upon a proper choice of a material constant one preferred direction can exhibit linear elastic response while the other two deform in a viscoplastic manner.

Long-term prediction test procedure for most ICs, based on linear response theory

NASA Technical Reports Server (NTRS)

Litovchenko, V.; Ivakhnenko, I.

1991-01-01

Experimentally, thermal annealing is known to be a factor which enables a number of different integrated circuits (IC's) to recover their operating characteristics after suffering radiation damage in the space radiation environment; thus, decreasing and limiting long term cumulative total-dose effects. This annealing is also known to be accelerated at elevated temperatures both during and after irradiation. Linear response theory (LRT) was applied, and a linear response function (LRF) to predict the radiation/annealing response of sensitive parameters of IC's for long term (several months or years) exposure to the space radiation environment were constructed. Compressing the annealing process from several years in orbit to just a few hours or days in the laboratory is achieved by subjecting the IC to elevated temperatures or by increasing the typical spaceflight dose rate by several orders of magnitude for simultaneous radiation/annealing only. The accomplishments are as follows: (1) the test procedure to make predictions of the radiation response was developed; (2) the calculation of the shift in the threshold potential due to the charge distribution in the oxide was written; (3) electron tunneling processes from the bulk Si to the oxide region in an MOS IC were estimated; (4) in order to connect the experimental annealing data to the theoretical model, constants of the model of the basic annealing process were established; (5) experimental data obtained at elevated temperatures were analyzed; (6) time compression and reliability of predictions for the long term region were shown; (7) a method to compress test time and to make predictions of response for the nonlinear region was proposed; and (8) nonlinearity of the LRF with respect to log(t) was calculated theoretically from a model.

Modern digital flight control system design for VTOL aircraft

NASA Technical Reports Server (NTRS)

Broussard, J. R.; Berry, P. W.; Stengel, R. F.

1979-01-01

Methods for and results from the design and evaluation of a digital flight control system (DFCS) for a CH-47B helicopter are presented. The DFCS employed proportional-integral control logic to provide rapid, precise response to automatic or manual guidance commands while following conventional or spiral-descent approach paths. It contained altitude- and velocity-command modes, and it adapted to varying flight conditions through gain scheduling. Extensive use was made of linear systems analysis techniques. The DFCS was designed, using linear-optimal estimation and control theory, and the effects of gain scheduling are assessed by examination of closed-loop eigenvalues and time responses.

Non-Linear Vibroisolation Pads Design, Numerical FEM Analysis and Introductory Experimental Investigations

NASA Astrophysics Data System (ADS)

Zielnica, J.; Ziółkowski, A.; Cempel, C.

2003-03-01

Design and theoretical and experimental investigation of vibroisolation pads with non-linear static and dynamic responses is the objective of the paper. The analytical investigations are based on non-linear finite element analysis where the load-deflection response is traced against the shape and material properties of the analysed model of the vibroisolation pad. A new model of vibroisolation pad of antisymmetrical type was designed and analysed by the finite element method based on the second-order theory (large displacements and strains) with the assumption of material's non-linearities (Mooney-Rivlin model). Stability loss phenomenon was used in the design of the vibroisolators, and it was proved that it would be possible to design a model of vibroisolator in the form of a continuous pad with non-linear static and dynamic response, typical to vibroisolation purposes. The materials used for the vibroisolator are those of rubber, elastomers, and similar ones. The results of theoretical investigations were examined experimentally. A series of models made of soft rubber were designed for the test purposes. The experimental investigations of the vibroisolation models, under static and dynamic loads, confirmed the results of the FEM analysis.

Annual Review of Research Under the Joint Services Electronics Program.

DTIC Science & Technology

1983-12-01

Total Number of Professionals: PI 2 RA 2 (1/2 time ) 6. Sunmmary: Our research into the theory of nonlinear control systems and appli- * cations to...known that all linear time -invariant controllable systems can be transformed to Brunovsky canonical form by a transformation consist- ing only of...estimating the impulse response ( = transfer matrix) of a discrete- time linear system x(t+l) = Fx(t) + Gu(t) y(t) = Hx(t) from a finite set of finite

Quasi-linear viscoelastic properties of the human medial patello-femoral ligament.

PubMed

Criscenti, G; De Maria, C; Sebastiani, E; Tei, M; Placella, G; Speziali, A; Vozzi, G; Cerulli, G

2015-12-16

The evaluation of viscoelastic properties of human medial patello-femoral ligament is fundamental to understand its physiological function and contribution as stabilizer for the selection of the methods of repair and reconstruction and for the development of scaffolds with adequate mechanical properties. In this work, 12 human specimens were tested to evaluate the time- and history-dependent non linear viscoelastic properties of human medial patello-femoral ligament using the quasi-linear viscoelastic (QLV) theory formulated by Fung et al. (1972) and modified by Abramowitch and Woo (2004). The five constant of the QLV theory, used to describe the instantaneous elastic response and the reduced relaxation function on stress relaxation experiments, were successfully evaluated. It was found that the constant A was 1.21±0.96MPa and the dimensionless constant B was 26.03±4.16. The magnitude of viscous response, the constant C, was 0.11±0.02 and the initial and late relaxation time constants τ1 and τ2 were 6.32±1.76s and 903.47±504.73s respectively. The total stress relaxation was 32.7±4.7%. To validate our results, the obtained constants were used to evaluate peak stresses from a cyclic stress relaxation test on three different specimens. The theoretically predicted values fit the experimental ones demonstrating that the QLV theory could be used to evaluate the viscoelastic properties of the human medial patello-femoral ligament. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

Lazerson, Samuel A.; Loizu, Joaquim; Hirshman, Steven

The VMEC nonlinear ideal MHD equilibrium code [S. P. Hirshman and J. C. Whitson, Phys. Fluids 26, 3553 (1983)] is compared against analytic linear ideal MHD theory in a screw-pinch-like configuration. The focus of such analysis is to verify the ideal MHD response at magnetic surfaces which possess magnetic transform (ι) which is resonant with spectral values of the perturbed boundary harmonics. A large aspect ratio circular cross section zero-beta equilibrium is considered. This equilibrium possess a rational surface with safety factor q = 2 at a normalized flux value of 0.5. A small resonant boundary perturbation is introduced, excitingmore » a response at the resonant rational surface. The code is found to capture the plasma response as predicted by a newly developed analytic theory that ensures the existence of nested flux surfaces by allowing for a jump in rotational transform (ι=1/q). The VMEC code satisfactorily reproduces these theoretical results without the necessity of an explicit transform discontinuity (Δι) at the rational surface. It is found that the response across the rational surfaces depends upon both radial grid resolution and local shear (dι/dΦ, where ι is the rotational transform and Φ the enclosed toroidal flux). Calculations of an implicit Δι suggest that it does not arise due to numerical artifacts (attributed to radial finite differences in VMEC) or existence conditions for flux surfaces as predicted by linear theory (minimum values of Δι). Scans of the rotational transform profile indicate that for experimentally relevant levels of transform shear the response becomes increasing localised. Furthermore, careful examination of a large experimental tokamak equilibrium, with applied resonant fields, indicates that this shielding response is present, suggesting the phenomena is not limited to this verification exercise.« less

Delamination growth in composite materials

NASA Technical Reports Server (NTRS)

Gillespie, J. W., Jr.; Carlsson, L. A.; Pipes, R. B.; Rothschilds, R.; Trethewey, B.; Smiley, A.

1986-01-01

The Double Cantilever Beam (DCB) and the End Notched Flexure (ENF) specimens are employed to characterize MODE I and MODE II interlaminar fracture resistance of graphite/epoxy (CYCOM 982) and graphite/PEEK (APC2) composites. Sizing of test specimen geometries to achieve crack growth in the linear elastic regime is presented. Data reduction schemes based upon beam theory are derived for the ENF specimen and include the effects of shear deformation and friction between crack surfaces on compliance, C, and strain energy release rate, G sub II. Finite element (FE) analyses of the ENF geometry including the contact problem with friction are presented to assess the accuracy of beam theory expressions for C and G sub II. Virtual crack closure techniques verify that the ENF specimen is a pure Mode II test. Beam theory expressions are shown to be conservative by 20 to 40 percent for typical unidirectional test specimen geometries. A FE parametric study investigating the influence of delamination length and depth, span, thickness and material properties on G sub II is presented. Mode I and II interlaminar fracture test results are presented. Important experimental parameters are isolated, such as precracking techniques, rate effects, and nonlinear load-deflection response. It is found that subcritical crack growth and inelastic materials behavior, responsible for the observed nonlinearities, are highly rate-dependent phenomena with high rates generally leading to linear elastic response.

Beyond the electric-dipole approximation: A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation

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

List, Nanna Holmgaard, E-mail: nhl@sdu.dk; Jensen, Hans Jørgen Aagaard; Kauczor, Joanna

2015-06-28

We present a formulation of molecular response theory for the description of a quantum mechanical molecular system in the presence of a weak, monochromatic, linearly polarized electromagnetic field without introducing truncated multipolar expansions. The presentation focuses on a description of linear absorption by adopting the energy-loss approach in combination with the complex polarization propagator formulation of response theory. Going beyond the electric-dipole approximation is essential whenever studying electric-dipole-forbidden transitions, and in general, non-dipolar effects become increasingly important when addressing spectroscopies involving higher-energy photons. These two aspects are examined by our study of the near K-edge X-ray absorption fine structure ofmore » the alkaline earth metals (Mg, Ca, Sr, Ba, and Ra) as well as the trans-polyenes. In following the series of alkaline earth metals, the sizes of non-dipolar effects are probed with respect to increasing photon energies and a detailed assessment of results is made in terms of studying the pertinent transition electron densities and in particular their spatial extension in comparison with the photon wavelength. Along the series of trans-polyenes, the sizes of non-dipolar effects are probed for X-ray spectroscopies on organic molecules with respect to the spatial extension of the chromophore.« less

Combined linear theory/impact theory method for analysis and design of high speed configurations

NASA Technical Reports Server (NTRS)

Brooke, D.; Vondrasek, D. V.

1980-01-01

Pressure distributions on a wing body at Mach 4.63 are calculated. The combined theory is shown to give improved predictions over either linear theory or impact theory alone. The combined theory is also applied in the inverse design mode to calculate optimum camber slopes at Mach 4.63. Comparisons with optimum camber slopes obtained from unmodified linear theory show large differences. Analysis of the results indicate that the combined theory correctly predicts the effect of thickness on the loading distributions at high Mach numbers, and that finite thickness wings optimized at high Mach numbers using unmodified linear theory will not achieve the minimum drag characteristics for which they are designed.

Quantum mechanical/molecular mechanical/continuum style solvation model: linear response theory, variational treatment, and nuclear gradients.

PubMed

Li, Hui

2009-11-14

Linear response and variational treatment are formulated for Hartree-Fock (HF) and Kohn-Sham density functional theory (DFT) methods and combined discrete-continuum solvation models that incorporate self-consistently induced dipoles and charges. Due to the variational treatment, analytic nuclear gradients can be evaluated efficiently for these discrete and continuum solvation models. The forces and torques on the induced point dipoles and point charges can be evaluated using simple electrostatic formulas as for permanent point dipoles and point charges, in accordance with the electrostatic nature of these methods. Implementation and tests using the effective fragment potential (EFP, a polarizable force field) method and the conductorlike polarizable continuum model (CPCM) show that the nuclear gradients are as accurate as those in the gas phase HF and DFT methods. Using B3LYP/EFP/CPCM and time-dependent-B3LYP/EFP/CPCM methods, acetone S(0)-->S(1) excitation in aqueous solution is studied. The results are close to those from full B3LYP/CPCM calculations.

Linearization instability for generic gravity in AdS spacetime

NASA Astrophysics Data System (ADS)

Altas, Emel; Tekin, Bayram

2018-01-01

In general relativity, perturbation theory about a background solution fails if the background spacetime has a Killing symmetry and a compact spacelike Cauchy surface. This failure, dubbed as linearization instability, shows itself as non-integrability of the perturbative infinitesimal deformation to a finite deformation of the background. Namely, the linearized field equations have spurious solutions which cannot be obtained from the linearization of exact solutions. In practice, one can show the failure of the linear perturbation theory by showing that a certain quadratic (integral) constraint on the linearized solutions is not satisfied. For non-compact Cauchy surfaces, the situation is different and for example, Minkowski space having a non-compact Cauchy surface, is linearization stable. Here we study, the linearization instability in generic metric theories of gravity where Einstein's theory is modified with additional curvature terms. We show that, unlike the case of general relativity, for modified theories even in the non-compact Cauchy surface cases, there are some theories which show linearization instability about their anti-de Sitter backgrounds. Recent D dimensional critical and three dimensional chiral gravity theories are two such examples. This observation sheds light on the paradoxical behavior of vanishing conserved charges (mass, angular momenta) for non-vacuum solutions, such as black holes, in these theories.

Tackling non-linearities with the effective field theory of dark energy and modified gravity

NASA Astrophysics Data System (ADS)

Frusciante, Noemi; Papadomanolakis, Georgios

2017-12-01

We present the extension of the effective field theory framework to the mildly non-linear scales. The effective field theory approach has been successfully applied to the late time cosmic acceleration phenomenon and it has been shown to be a powerful method to obtain predictions about cosmological observables on linear scales. However, mildly non-linear scales need to be consistently considered when testing gravity theories because a large part of the data comes from those scales. Thus, non-linear corrections to predictions on observables coming from the linear analysis can help in discriminating among different gravity theories. We proceed firstly by identifying the necessary operators which need to be included in the effective field theory Lagrangian in order to go beyond the linear order in perturbations and then we construct the corresponding non-linear action. Moreover, we present the complete recipe to map any single field dark energy and modified gravity models into the non-linear effective field theory framework by considering a general action in the Arnowitt-Deser-Misner formalism. In order to illustrate this recipe we proceed to map the beyond-Horndeski theory and low-energy Hořava gravity into the effective field theory formalism. As a final step we derived the 4th order action in term of the curvature perturbation. This allowed us to identify the non-linear contributions coming from the linear order perturbations which at the next order act like source terms. Moreover, we confirm that the stability requirements, ensuring the positivity of the kinetic term and the speed of propagation for scalar mode, are automatically satisfied once the viability of the theory is demanded at linear level. The approach we present here will allow to construct, in a model independent way, all the relevant predictions on observables at mildly non-linear scales.

Frequency domain system identification of helicopter rotor dynamics incorporating models with time periodic coefficients

NASA Astrophysics Data System (ADS)

Hwang, Sunghwan

1997-08-01

One of the most prominent features of helicopter rotor dynamics in forward flight is the periodic coefficients in the equations of motion introduced by the rotor rotation. The frequency response characteristics of such a linear time periodic system exhibits sideband behavior, which is not the case for linear time invariant systems. Therefore, a frequency domain identification methodology for linear systems with time periodic coefficients was developed, because the linear time invariant theory cannot account for sideband behavior. The modulated complex Fourier series was introduced to eliminate the smearing effect of Fourier series expansions of exponentially modulated periodic signals. A system identification theory was then developed using modulated complex Fourier series expansion. Correlation and spectral density functions were derived using the modulated complex Fourier series expansion for linear time periodic systems. Expressions of the identified harmonic transfer function were then formulated using the spectral density functions both with and without additive noise processes at input and/or output. A procedure was developed to identify parameters of a model to match the frequency response characteristics between measured and estimated harmonic transfer functions by minimizing an objective function defined in terms of the trace of the squared frequency response error matrix. Feasibility was demonstrated by the identification of the harmonic transfer function and parameters for helicopter rigid blade flapping dynamics in forward flight. This technique is envisioned to satisfy the needs of system identification in the rotating frame, especially in the context of individual blade control. The technique was applied to the coupled flap-lag-inflow dynamics of a rigid blade excited by an active pitch link. The linear time periodic technique results were compared with the linear time invariant technique results. Also, the effect of noise processes and initial parameter guess on the identification procedure were investigated. To study the effect of elastic modes, a rigid blade with a trailing edge flap excited by a smart actuator was selected and system parameters were successfully identified, but with some expense of computational storage and time. Conclusively, the linear time periodic technique substantially improved the identified parameter accuracy compared to the linear time invariant technique. Also, the linear time periodic technique was robust to noises and initial guess of parameters. However, an elastic mode of higher frequency relative to the system pumping frequency tends to increase the computer storage requirement and computing time.

Pacific decadal variability in the view of linear equatorial wave theory

NASA Astrophysics Data System (ADS)

Emile-Geay, J. B.; Cane, M. A.

2006-12-01

It has recently been proposed, within the framework of the linear shallow water equations, that tropical Pacific decadal variability can be accounted for by basin modes with eigenperiods of 10 to 20 years, amplifying a mid- latitude wind forcing with an essentially white spectrum (Cessi and Louazel 2001; Liu 2003). We question this idea here, using a different formalism of linear equatorial wave theory. We compute the Green's function for the wind forced response of a linear equatorial shallow water ocean, and use the results of Cane and Moore (1981) to obtain a compact, closed form expression for the motion of the equatorial thermocline, which applies to all frequencies lower than seasonal. At very low frequencies (decadal timescales), we recover the planetary geostrophic solution used by Cessi and Louazel (2001), as well as the equatorial wave solution of Liu (2003), and give a formal explanation for this convergence. Using this more general solution to explore more realistic wind forcings, we come to a different interpretation of the results. We find that the equatorial thermocline is inherently more sensitive to local than to remote wind forcing, and that planetary Rossby modes only weakly alter the spectral characteristics of the response. Tropical winds are able to generate a strong equatorial response with periods of 10 to 20 years, while midlatitude winds can only do so for periods longer than about 50 years. Since the decadal pattern of observed winds shows similar amplitude for tropical and midlatitude winds, we conclude that the latter are unlikely to be responsible for the observed decadal tropical Pacific SST variability. References : Cane, M. A., and Moore, D. W., 1981: A note on low-frequency equatorial basin modes. J. Phys. Oceanogr., 11(11), 1578 1584. Cessi, P., and Louazel, S., 2001: Decadal oceanic response to stochastic wind forcing. J. Phys. Oceanogr., 31, 3020 3029. Liu, Z., 2003: Tropical ocean decadal variability and resonance of planetary wave basin modes. J. Clim., 16(18), 1539 1550.

A simple two-stage model predicts response time distributions.

PubMed

Carpenter, R H S; Reddi, B A J; Anderson, A J

2009-08-15

The neural mechanisms underlying reaction times have previously been modelled in two distinct ways. When stimuli are hard to detect, response time tends to follow a random-walk model that integrates noisy sensory signals. But studies investigating the influence of higher-level factors such as prior probability and response urgency typically use highly detectable targets, and response times then usually correspond to a linear rise-to-threshold mechanism. Here we show that a model incorporating both types of element in series - a detector integrating noisy afferent signals, followed by a linear rise-to-threshold performing decision - successfully predicts not only mean response times but, much more stringently, the observed distribution of these times and the rate of decision errors over a wide range of stimulus detectability. By reconciling what previously may have seemed to be conflicting theories, we are now closer to having a complete description of reaction time and the decision processes that underlie it.

A Solution to the Fundamental Linear Fractional Order Differential Equation

NASA Technical Reports Server (NTRS)

Hartley, Tom T.; Lorenzo, Carl F.

1998-01-01

This paper provides a solution to the fundamental linear fractional order differential equation, namely, (sub c)d(sup q, sub t) + ax(t) = bu(t). The impulse response solution is shown to be a series, named the F-function, which generalizes the normal exponential function. The F-function provides the basis for a qth order "fractional pole". Complex plane behavior is elucidated and a simple example, the inductor terminated semi- infinite lossy line, is used to demonstrate the theory.

Nonlinear analysis for the response and failure of compression-loaded angle-ply laminates with a hole

NASA Technical Reports Server (NTRS)

Mathison, Steven R.; Herakovich, Carl T.; Pindera, Marek-Jerzy; Shuart, Mark J.

1987-01-01

The objective was to determine the effect of nonlinear material behavior on the response and failure of unnotched and notched angle-ply laminates under uniaxial compressive loading. The endochronic theory was chosen as the constitutive theory to model the AS4/3502 graphite-epoxy material system. Three-dimensional finite element analysis incorporating the endochronic theory was used to determine the stresses and strains in the laminates. An incremental/iterative initial strain algorithm was used in the finite element program. To increase computational efficiency, a 180 deg rotational symmetry relationship was utilized and the finite element program was vectorized to run on a supercomputer. Laminate response was compared to experimentation revealing excellent agreement for both the unnotched and notched angle-ply laminates. Predicted stresses in the region of the hole were examined and are presented, comparing linear elastic analysis to the inelastic endochronic theory analysis. A failure analysis of the unnotched and notched laminates was performed using the quadratic tensor polynomial. Predicted fracture loads compared well with experimentation for the unnotched laminates, but were very conservative in comparison with experiments for the notched laminates.

Lead-lag relationships between stock and market risk within linear response theory

NASA Astrophysics Data System (ADS)

Borysov, Stanislav; Balatsky, Alexander

2015-03-01

We study historical correlations and lead-lag relationships between individual stock risks (standard deviation of daily stock returns) and market risk (standard deviation of daily returns of a market-representative portfolio) in the US stock market. We consider the cross-correlation functions averaged over stocks, using historical stock prices from the Standard & Poor's 500 index for 1994-2013. The observed historical dynamics suggests that the dependence between the risks was almost linear during the US stock market downturn of 2002 and after the US housing bubble in 2007, remaining at that level until 2013. Moreover, the averaged cross-correlation function often had an asymmetric shape with respect to zero lag in the periods of high correlation. We develop the analysis by the application of the linear response formalism to study underlying causal relations. The calculated response functions suggest the presence of characteristic regimes near financial crashes, when individual stock risks affect market risk and vice versa. This work was supported by VR 621-2012-2983.

Learning quadratic receptive fields from neural responses to natural stimuli.

PubMed

Rajan, Kanaka; Marre, Olivier; Tkačik, Gašper

2013-07-01

Models of neural responses to stimuli with complex spatiotemporal correlation structure often assume that neurons are selective for only a small number of linear projections of a potentially high-dimensional input. In this review, we explore recent modeling approaches where the neural response depends on the quadratic form of the input rather than on its linear projection, that is, the neuron is sensitive to the local covariance structure of the signal preceding the spike. To infer this quadratic dependence in the presence of arbitrary (e.g., naturalistic) stimulus distribution, we review several inference methods, focusing in particular on two information theory-based approaches (maximization of stimulus energy and of noise entropy) and two likelihood-based approaches (Bayesian spike-triggered covariance and extensions of generalized linear models). We analyze the formal relationship between the likelihood-based and information-based approaches to demonstrate how they lead to consistent inference. We demonstrate the practical feasibility of these procedures by using model neurons responding to a flickering variance stimulus.

Time-dependent mean-field theory for x-ray near-edge spectroscopy

NASA Astrophysics Data System (ADS)

Bertsch, G. F.; Lee, A. J.

2014-02-01

We derive equations of motion for calculating the near-edge x-ray absorption spectrum in molecules and condensed matter, based on a two-determinant approximation and Dirac's variational principle. The theory provides an exact solution for the linear response when the Hamiltonian or energy functional has only diagonal interactions in some basis. We numerically solve the equations to compare with the Mahan-Nozières-De Dominicis theory of the edge singularity in metallic conductors. Our extracted power-law exponents are similar to those of the analytic theory, but are not in quantitative agreement. The calculational method can be readily generalized to treat Kohn-Sham Hamiltonians with electron-electron interactions derived from correlation-exchange potentials.

Beta Regression Finite Mixture Models of Polarization and Priming

ERIC Educational Resources Information Center

Smithson, Michael; Merkle, Edgar C.; Verkuilen, Jay

2011-01-01

This paper describes the application of finite-mixture general linear models based on the beta distribution to modeling response styles, polarization, anchoring, and priming effects in probability judgments. These models, in turn, enhance our capacity for explicitly testing models and theories regarding the aforementioned phenomena. The mixture…

A Problem-Centered Approach to Canonical Matrix Forms

ERIC Educational Resources Information Center

Sylvestre, Jeremy

2014-01-01

This article outlines a problem-centered approach to the topic of canonical matrix forms in a second linear algebra course. In this approach, abstract theory, including such topics as eigenvalues, generalized eigenspaces, invariant subspaces, independent subspaces, nilpotency, and cyclic spaces, is developed in response to the patterns discovered…

Stochastic P-bifurcation and stochastic resonance in a noisy bistable fractional-order system

NASA Astrophysics Data System (ADS)

Yang, J. H.; Sanjuán, Miguel A. F.; Liu, H. G.; Litak, G.; Li, X.

2016-12-01

We investigate the stochastic response of a noisy bistable fractional-order system when the fractional-order lies in the interval (0, 2]. We focus mainly on the stochastic P-bifurcation and the phenomenon of the stochastic resonance. We compare the generalized Euler algorithm and the predictor-corrector approach which are commonly used for numerical calculations of fractional-order nonlinear equations. Based on the predictor-corrector approach, the stochastic P-bifurcation and the stochastic resonance are investigated. Both the fractional-order value and the noise intensity can induce an stochastic P-bifurcation. The fractional-order may lead the stationary probability density function to turn from a single-peak mode to a double-peak mode. However, the noise intensity may transform the stationary probability density function from a double-peak mode to a single-peak mode. The stochastic resonance is investigated thoroughly, according to the linear and the nonlinear response theory. In the linear response theory, the optimal stochastic resonance may occur when the value of the fractional-order is larger than one. In previous works, the fractional-order is usually limited to the interval (0, 1]. Moreover, the stochastic resonance at the subharmonic frequency and the superharmonic frequency are investigated respectively, by using the nonlinear response theory. When it occurs at the subharmonic frequency, the resonance may be strong and cannot be ignored. When it occurs at the superharmonic frequency, the resonance is weak. We believe that the results in this paper might be useful for the signal processing of nonlinear systems.

Forest litter crickets prefer higher substrate moisture for oviposition: Evidence from field and lab experiments

PubMed Central

Sperber, Carlos Frankl; Albeny-Simões, Daniel; Breaux, Jennifer Ann; Fianco, Marcos; Szinwelski, Neucir

2017-01-01

For insects, choosing a favorable oviposition site is a type of parental care, as far as it increases the fitness of its offspring. Niche theory predicts that crickets should show a bell-shaped oviposition response to substrate moisture. However, lab experiments with mole crickets showed a linear oviposition response to substrate moisture. Studies with the house cricket Acheta domesticus also showed a linear juvenile body growth response to water availability, thus adult ovipositing females should respond positively to substrate moisture. We used a field experiment to evaluate the relationship between oviposition preference and substrate moisture in forest litter-dwelling cricket species. We also evaluated oviposition responses to substrate moisture level in Ubiquepuella telytokous, the most abundant litter cricket species in our study area, using a laboratory study. We offered cotton substrate for oviposition which varied in substrate moisture level from zero (i.e., dry) to maximum water absorption capacity. We used two complementary metrics to evaluate oviposition preference: (i) presence or absence of eggs in each sampling unit as binary response variable, and (ii) number of eggs oviposited per sampling unit as count response variable. To test for non-linear responses, we adjusted generalized additive models (GAMM) with mixed effects. We found that both cricket oviposition probability and effort (i.e., number of eggs laid) increased linearly with substrate moisture in the field experiment, and for U. telytokous in the lab experiment. We discarded any non-linear responses. Our results demonstrate the importance of substrate moisture as an ecological niche dimension for litter crickets. This work bolsters knowledge of litter cricket life history association with moisture, and suggests that litter crickets may be particularly threatened by changes in climate that favor habitat drying. PMID:28977023

Forest litter crickets prefer higher substrate moisture for oviposition: Evidence from field and lab experiments.

PubMed

de Farias-Martins, Fernando; Sperber, Carlos Frankl; Albeny-Simões, Daniel; Breaux, Jennifer Ann; Fianco, Marcos; Szinwelski, Neucir

2017-01-01

For insects, choosing a favorable oviposition site is a type of parental care, as far as it increases the fitness of its offspring. Niche theory predicts that crickets should show a bell-shaped oviposition response to substrate moisture. However, lab experiments with mole crickets showed a linear oviposition response to substrate moisture. Studies with the house cricket Acheta domesticus also showed a linear juvenile body growth response to water availability, thus adult ovipositing females should respond positively to substrate moisture. We used a field experiment to evaluate the relationship between oviposition preference and substrate moisture in forest litter-dwelling cricket species. We also evaluated oviposition responses to substrate moisture level in Ubiquepuella telytokous, the most abundant litter cricket species in our study area, using a laboratory study. We offered cotton substrate for oviposition which varied in substrate moisture level from zero (i.e., dry) to maximum water absorption capacity. We used two complementary metrics to evaluate oviposition preference: (i) presence or absence of eggs in each sampling unit as binary response variable, and (ii) number of eggs oviposited per sampling unit as count response variable. To test for non-linear responses, we adjusted generalized additive models (GAMM) with mixed effects. We found that both cricket oviposition probability and effort (i.e., number of eggs laid) increased linearly with substrate moisture in the field experiment, and for U. telytokous in the lab experiment. We discarded any non-linear responses. Our results demonstrate the importance of substrate moisture as an ecological niche dimension for litter crickets. This work bolsters knowledge of litter cricket life history association with moisture, and suggests that litter crickets may be particularly threatened by changes in climate that favor habitat drying.

Dynamics of Permanent-Magnet Biased Active Magnetic Bearings

NASA Technical Reports Server (NTRS)

Fukata, Satoru; Yutani, Kazuyuki

1996-01-01

Active magnetic radial bearings are constructed with a combination of permanent magnets to provide bias forces and electromagnets to generate control forces for the reduction of cost and the operating energy consumption. Ring-shaped permanent magnets with axial magnetization are attached to a shaft and share their magnet stators with the electromagnets. The magnet cores are made of solid iron for simplicity. A simplified magnetic circuit of the combined magnet system is analyzed with linear circuit theory by approximating the characteristics of permanent magnets with a linear relation. A linearized dynamical model of the control force is presented with the first-order approximation of the effects of eddy currents. Frequency responses of the rotor motion to disturbance inputs and the motion for impulsive forces are tested in the non-rotating state. The frequency responses are compared with numerical results. The decay of rotor speed due to magnetic braking is examined. The experimental results and the presented linearized model are similar to those of the all-electromagnetic design.

Non-linear temperature-dependent curvature of a phase change composite bimorph beam

NASA Astrophysics Data System (ADS)

Blonder, Greg

2017-06-01

Bimorph films curl in response to temperature. The degree of curvature typically varies in proportion to the difference in thermal expansion of the individual layers, and linearly with temperature. In many applications, such as controlling a thermostat, this gentle linear behavior is acceptable. In other cases, such as opening or closing a valve or latching a deployable column into place, an abrupt motion at a fixed temperature is preferred. To achieve this non-linear motion, we describe the fabrication and performance of a new bilayer structure we call a ‘phase change composite bimorph (PCBM)’. In a PCBM, one layer in the bimorph is a composite containing small inclusions of phase change materials. When the inclusions melt, their large (generally positive and  >1%) expansion coefficient induces a strong, reversible step function jump in bimorph curvature. The measured jump amplitude and thermal response is consistent with theory, and can be harnessed by a new class of actuators and sensors.

Surface loading of a viscoelastic earth-I. General theory

NASA Astrophysics Data System (ADS)

Tromp, Jeroen; Mitrovica, Jerry X.

1999-06-01

We present a new normal-mode formalism for computing the response of an aspherical, self-gravitating, linear viscoelastic earth model to an arbitrary surface load. The formalism makes use of recent advances in the theory of the Earth's free oscillations, and is based upon an eigenfunction expansion methodology, rather than the tradi-tional Love-number approach to surface-loading problems. We introduce a surface-load representation theorem analogous to Betti's reciprocity relation in seismology. Taking advantage of this theorem and the biorthogonality of the viscoelastic modes, we determine the complete response to a surface load in the form of a Green's function. We also demonstrate that each viscoelastic mode has its own unique energy partitioning, which can be used to characterize it. In subsequent papers, we apply the theory to spherically symmetric and aspherical earth models.

Non-linear interaction of a detonation/vorticity wave

NASA Technical Reports Server (NTRS)

Lasseigne, D. G.; Jackson, T. L.; Hussaini, M. Y.

1991-01-01

The interaction of an oblique, overdriven detonation wave with a vorticity disturbance is investigated by a direct two-dimensional numerical simulation using a multi-domain, finite-difference solution of the compressible Euler equations. The results are compared to those of linear theory, which predict that the effect of exothermicity on the interaction is relatively small except possibly near a critical angle where linear theory no longer holds. It is found that the steady-state computational results agree with the results of linear theory. However, for cases with incident angle near the critical angle, moderate disturbance amplitudes, and/or sudden transient encounter with a disturbance, the effects of exothermicity are more pronounced than predicted by linear theory. Finally, it is found that linear theory correctly determines the critical angle.

Multireference Density Functional Theory with Generalized Auxiliary Systems for Ground and Excited States.

PubMed

Chen, Zehua; Zhang, Du; Jin, Ye; Yang, Yang; Su, Neil Qiang; Yang, Weitao

2017-09-21

To describe static correlation, we develop a new approach to density functional theory (DFT), which uses a generalized auxiliary system that is of a different symmetry, such as particle number or spin, from that of the physical system. The total energy of the physical system consists of two parts: the energy of the auxiliary system, which is determined with a chosen density functional approximation (DFA), and the excitation energy from an approximate linear response theory that restores the symmetry to that of the physical system, thus rigorously leading to a multideterminant description of the physical system. The electron density of the physical system is different from that of the auxiliary system and is uniquely determined from the functional derivative of the total energy with respect to the external potential. Our energy functional is thus an implicit functional of the physical system density, but an explicit functional of the auxiliary system density. We show that the total energy minimum and stationary states, describing the ground and excited states of the physical system, can be obtained by a self-consistent optimization with respect to the explicit variable, the generalized Kohn-Sham noninteracting density matrix. We have developed the generalized optimized effective potential method for the self-consistent optimization. Among options of the auxiliary system and the associated linear response theory, reformulated versions of the particle-particle random phase approximation (pp-RPA) and the spin-flip time-dependent density functional theory (SF-TDDFT) are selected for illustration of principle. Numerical results show that our multireference DFT successfully describes static correlation in bond dissociation and double bond rotation.

Transition properties from the Hermitian formulation of the coupled cluster polarization propagator

NASA Astrophysics Data System (ADS)

Tucholska, Aleksandra M.; Modrzejewski, Marcin; Moszynski, Robert

2014-09-01

Theory of one-electron transition density matrices has been formulated within the time-independent coupled cluster method for the polarization propagator [R. Moszynski, P. S. Żuchowski, and B. Jeziorski, Coll. Czech. Chem. Commun. 70, 1109 (2005)]. Working expressions have been obtained and implemented with the coupled cluster method limited to single, double, and linear triple excitations (CC3). Selected dipole and quadrupole transition probabilities of the alkali earth atoms, computed with the new transition density matrices are compared to the experimental data. Good agreement between theory and experiment is found. The results obtained with the new approach are of the same quality as the results obtained with the linear response coupled cluster theory. The one-electron density matrices for the ground state in the CC3 approximation have also been implemented. The dipole moments for a few representative diatomic molecules have been computed with several variants of the new approach, and the results are discussed to choose the approximation with the best balance between the accuracy and computational efficiency.

An Aeroelastic Evaluation of the Flexible Thermal Protection System for an Inatable Aerodynamic Decelerator

NASA Astrophysics Data System (ADS)

Goldman, Benjamin D.

The purpose of this dissertation is to study the aeroelastic stability of a proposed flexible thermal protection system (FTPS) for the NASA Hypersonic Inflatable Aerodynamic Decelerator (HIAD). A flat, square FTPS coupon exhibits violent oscillations during experimental aerothermal testing in NASA's 8 Foot High Temperature Tunnel, leading to catastrophic failure. The behavior of the structural response suggested that aeroelastic flutter may be the primary instability mechanism, prompting further experimental investigation and theoretical model development. Using Von Karman's plate theory for the panel-like structure and piston theory aerodynamics, a set of aeroelastic models were developed and limit cycle oscillations (LCOs) were calculated at the tunnel flow conditions. Similarities in frequency content of the theoretical and experimental responses indicated that the observed FTPS oscillations were likely aeroelastic in nature, specifically LCO/flutter. While the coupon models can be used for comparison with tunnel tests, they cannot predict accurately the aeroelastic behavior of the FTPS in atmospheric flight. This is because the geometry of the flight vehicle is no longer a flat plate, but rather (approximately) a conical shell. In the second phase of this work, linearized Donnell conical shell theory and piston theory aerodynamics are used to calculate natural modes of vibration and flutter dynamic pressures for various structural models composed of one or more conical shells resting on several circumferential elastic supports. When the flight vehicle is approximated as a single conical shell without elastic supports, asymmetric flutter in many circumferential waves is observed. When the elastic supports are included, the shell flutters symmetrically in zero circumferential waves. Structural damping is found to be important in this case, as "hump-mode" flutter is possible. Aeroelastic models that consider the individual FTPS layers as separate shells exhibit asymmetric flutter at high dynamic pressures relative to the single shell models. Parameter studies also examine the effects of tension, shear modulus reduction, and elastic support stiffness. Limitations of a linear structural model and piston theory aerodynamics prompted a more elaborate evaluation of the flight configuration. Using nonlinear Donnell conical shell theory for the FTPS structure, the pressure buckling and aeroelastic limit cycle oscillations were studied for a single elastically-supported conical shell. While piston theory was used initially, a time-dependent correction factor was derived using transform methods and potential flow theory to calculate more accurately the low Mach number supersonic flow. Three conical shell geometries were considered: a 3-meter diameter 70° shell, a 3.7-meter 70° shell, and a 6-meter diameter 70° shell. The 6-meter configuration was loaded statically and the results were compared with an experimental load test of a 6-meter HIAD vehicle. Though agreement between theoretical and experimental strains was poor, circumferential wrinkling phenomena observed during the experiments was captured by the theory and axial deformations were qualitatively similar in shape. With piston theory aerodynamics, the nonlinear flutter dynamic pressures of the 3-meter configuration were in agreement with the values calculated using linear theory, and the limit cycle amplitudes were generally on the order of the shell thickness. Pre-buckling pressure loads and the aerodynamic pressure correction factor were studied for all geometries, and these effects resulted in significantly lower flutter boundaries compared with piston theory alone. In the final phase of this work, the existing linear and nonlinear FTPS shell models were coupled with NASA's FUN3D Reynolds Averaged Navier Stokes CFD code, allowing for the most physically realistic flight predictions. For the linear shell structural model, the elastically-supported shell natural modes were mapped to a CFD grid of a 6-meter HIAD vehicle, and a linear structural dynamics solver internal to the CFD code was used to compute the aeroelastic response. Aerodynamic parameters for a proposed HIAD re-entry trajectory were obtained, and aeroelastic solutions were calculated at three points in the trajectory: Mach 1, Mach 2, and Mach 11 (peak dynamic pressure). No flutter was found at any of these conditions using the linear method, though oscillations (of uncertain origin) on the order of the shell thickness may be possible in the transonic regime. For the nonlinear shell structural model, a set of assumed sinusoidal modes were mapped to the CFD grid, and the linear structural dynamics equations were replaced by a nonlinear ODE solver for the conical shell equations. Successful calculation and restart of the nonlinear dynamic aeroelastic solutions was demonstrated. Preliminary results indicated that dynamic instabilities may be possible at Mach 1 and 2, with a completely stable solution at Mach 11, though further study is needed. A major benefit of this implementation is that the coefficients and mode shapes for the nonlinear conical shell may be replaced with those of other types of structures, greatly expanding the aeroelastic capabilities of FUN3D.

Quantum corrections to the generalized Proca theory via a matter field

NASA Astrophysics Data System (ADS)

Amado, André; Haghani, Zahra; Mohammadi, Azadeh; Shahidi, Shahab

2017-09-01

We study the quantum corrections to the generalized Proca theory via matter loops. We consider two types of interactions, linear and nonlinear in the vector field. Calculating the one-loop correction to the vector field propagator, three- and four-point functions, we show that the non-linear interactions are harmless, although they renormalize the theory. The linear matter-vector field interactions introduce ghost degrees of freedom to the generalized Proca theory. Treating the theory as an effective theory, we calculate the energy scale up to which the theory remains healthy.

A Resume of Stochastic, Time-Varying, Linear System Theory with Application to Active-Sonar Signal-Processing Problems

DTIC Science & Technology

1981-06-15

relationships 5 3. Normalized energy in ambiguity function for i = 0 14 k ilI SACLANTCEN SR-50 A RESUME OF STOCHASTIC, TIME-VARYING, LINEAR SYSTEM THEORY WITH...the order in which systems are concatenated is unimportant. These results are exactly analogous to the results of time-invariant linear system theory in...REFERENCES 1. MEIER, L. A rdsum6 of deterministic time-varying linear system theory with application to active sonar signal processing problems, SACLANTCEN

A coupled deformation-diffusion theory for fluid-saturated porous solids

NASA Astrophysics Data System (ADS)

Henann, David; Kamrin, Ken; Anand, Lallit

2012-02-01

Fluid-saturated porous materials are important in several familiar applications, such as the response of soils in geomechanics, food processing, pharmaceuticals, and the biomechanics of living bone tissue. An appropriate constitutive theory describing the coupling of the mechanical behavior of the porous solid with the transport of the fluid is a crucial ingredient towards understanding the material behavior in these varied applications. In this work, we formulate and numerically implement in a finite-element framework a large-deformation theory for coupled deformation-diffusion in isotropic, fluid-saturated porous solids. The theory synthesizes the classical Biot theory of linear poroelasticity and the more-recent Coussy theory of poroplasticity in a large deformation framework. In this talk, we highlight several salient features of our theory and discuss representative examples of the application of our numerical simulation capability to problems of consolidation as well as deformation localization in granular materials.

Linear and nonlinear 2D finite element analysis of sloshing modes and pressures in rectangular tanks subject to horizontal harmonic motions

NASA Astrophysics Data System (ADS)

Virella, Juan C.; Prato, Carlos A.; Godoy, Luis A.

2008-05-01

The influence of nonlinear wave theory on the sloshing natural periods and their modal pressure distributions are investigated for rectangular tanks under the assumption of two-dimensional behavior. Natural periods and mode shapes are computed and compared for both linear wave theory (LWT) and nonlinear wave theory (NLWT) models, using the finite element package ABAQUS. Linear wave theory is implemented in an acoustic model, whereas a plane strain problem with large displacements is used in NLWT. Pressure distributions acting on the tank walls are obtained for the first three sloshing modes using both linear and nonlinear wave theory. It is found that the nonlinearity does not have significant effects on the natural sloshing periods. For the sloshing pressures on the tank walls, different distributions were found using linear and nonlinear wave theory models. However, in all cases studied, the linear wave theory conservatively estimated the magnitude of the pressure distribution, whereas larger pressures resultant heights were obtained when using the nonlinear theory. It is concluded that the nonlinearity of the surface wave does not have major effects in the pressure distribution on the walls for rectangular tanks.

Refined Zigzag Theory for Laminated Composite and Sandwich Plates

NASA Technical Reports Server (NTRS)

Tessler, Alexander; DiSciuva, Marco; Gherlone, Marco

2009-01-01

A refined zigzag theory is presented for laminated-composite and sandwich plates that includes the kinematics of first-order shear deformation theory as its baseline. The theory is variationally consistent and is derived from the virtual work principle. Novel piecewise-linear zigzag functions that provide a more realistic representation of the deformation states of transverse-shear-flexible plates than other similar theories are used. The formulation does not enforce full continuity of the transverse shear stresses across the plate s thickness, yet is robust. Transverse-shear correction factors are not required to yield accurate results. The theory is devoid of the shortcomings inherent in the previous zigzag theories including shear-force inconsistency and difficulties in simulating clamped boundary conditions, which have greatly limited the accuracy of these theories. This new theory requires only C(sup 0)-continuous kinematic approximations and is perfectly suited for developing computationally efficient finite elements. The theory should be useful for obtaining relatively efficient, accurate estimates of structural response needed to design high-performance load-bearing aerospace structures.

Analytic and Computational Perspectives of Multi-Scale Theory for Homogeneous, Laminated Composite, and Sandwich Beams and Plates

NASA Technical Reports Server (NTRS)

Tessler, Alexander; Gherlone, Marco; Versino, Daniele; DiSciuva, Marco

2012-01-01

This paper reviews the theoretical foundation and computational mechanics aspects of the recently developed shear-deformation theory, called the Refined Zigzag Theory (RZT). The theory is based on a multi-scale formalism in which an equivalent single-layer plate theory is refined with a robust set of zigzag local layer displacements that are free of the usual deficiencies found in common plate theories with zigzag kinematics. In the RZT, first-order shear-deformation plate theory is used as the equivalent single-layer plate theory, which represents the overall response characteristics. Local piecewise-linear zigzag displacements are used to provide corrections to these overall response characteristics that are associated with the plate heterogeneity and the relative stiffnesses of the layers. The theory does not rely on shear correction factors and is equally accurate for homogeneous, laminated composite, and sandwich beams and plates. Regardless of the number of material layers, the theory maintains only seven kinematic unknowns that describe the membrane, bending, and transverse shear plate-deformation modes. Derived from the virtual work principle, RZT is well-suited for developing computationally efficient, C(sup 0)-continuous finite elements; formulations of several RZT-based elements are highlighted. The theory and its finite element approximations thus provide a unified and reliable computational platform for the analysis and design of high-performance load-bearing aerospace structures.

Analytic and Computational Perspectives of Multi-Scale Theory for Homogeneous, Laminated Composite, and Sandwich Beams and Plates

NASA Technical Reports Server (NTRS)

Tessler, Alexander; Gherlone, Marco; Versino, Daniele; Di Sciuva, Marco

2012-01-01

This paper reviews the theoretical foundation and computational mechanics aspects of the recently developed shear-deformation theory, called the Refined Zigzag Theory (RZT). The theory is based on a multi-scale formalism in which an equivalent single-layer plate theory is refined with a robust set of zigzag local layer displacements that are free of the usual deficiencies found in common plate theories with zigzag kinematics. In the RZT, first-order shear-deformation plate theory is used as the equivalent single-layer plate theory, which represents the overall response characteristics. Local piecewise-linear zigzag displacements are used to provide corrections to these overall response characteristics that are associated with the plate heterogeneity and the relative stiffnesses of the layers. The theory does not rely on shear correction factors and is equally accurate for homogeneous, laminated composite, and sandwich beams and plates. Regardless of the number of material layers, the theory maintains only seven kinematic unknowns that describe the membrane, bending, and transverse shear plate-deformation modes. Derived from the virtual work principle, RZT is well-suited for developing computationally efficient, C0-continuous finite elements; formulations of several RZT-based elements are highlighted. The theory and its finite elements provide a unified and reliable computational platform for the analysis and design of high-performance load-bearing aerospace structures.

Conditional Covariance-Based Subtest Selection for DIMTEST

ERIC Educational Resources Information Center

Froelich, Amy G.; Habing, Brian

2008-01-01

DIMTEST is a nonparametric hypothesis-testing procedure designed to test the assumptions of a unidimensional and locally independent item response theory model. Several previous Monte Carlo studies have found that using linear factor analysis to select the assessment subtest for DIMTEST results in a moderate to severe loss of power when the exam…

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

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

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue

We present two efficient iterative algorithms for solving the linear response eigen- value problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into a product eigenvalue problem that is self-adjoint with respect to a K-inner product. This product eigenvalue problem can be solved efficiently by a modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-innermore » product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. However, the other component of the eigenvector can be easily recovered in a postprocessing procedure. Therefore, the algorithms we present here are more efficient than existing algorithms that try to approximate both components of the eigenvectors simultaneously. The efficiency of the new algorithms is demonstrated by numerical examples.« less

Broad-band simulation of M7.2 earthquake on the North Tehran fault, considering non-linear soil effects

NASA Astrophysics Data System (ADS)

Majidinejad, A.; Zafarani, H.; Vahdani, S.

2018-05-01

The North Tehran fault (NTF) is known to be one of the most drastic sources of seismic hazard on the city of Tehran. In this study, we provide broad-band (0-10 Hz) ground motions for the city as a consequence of probable M7.2 earthquake on the NTF. Low-frequency motions (0-2 Hz) are provided from spectral element dynamic simulation of 17 scenario models. High-frequency (2-10 Hz) motions are calculated with a physics-based method based on S-to-S backscattering theory. Broad-band ground motions at the bedrock level show amplifications, both at low and high frequencies, due to the existence of deep Tehran basin in the vicinity of the NTF. By employing soil profiles obtained from regional studies, effect of shallow soil layers on broad-band ground motions is investigated by both linear and non-linear analyses. While linear soil response overestimate ground motion prediction equations, non-linear response predicts plausible results within one standard deviation of empirical relationships. Average Peak Ground Accelerations (PGAs) at the northern, central and southern parts of the city are estimated about 0.93, 0.59 and 0.4 g, respectively. Increased damping caused by non-linear soil behaviour, reduces the soil linear responses considerably, in particular at frequencies above 3 Hz. Non-linear deamplification reduces linear spectral accelerations up to 63 per cent at stations above soft thick sediments. By performing more general analyses, which exclude source-to-site effects on stations, a correction function is proposed for typical site classes of Tehran. Parameters for the function which reduces linear soil response in order to take into account non-linear soil deamplification are provided for various frequencies in the range of engineering interest. In addition to fully non-linear analyses, equivalent-linear calculations were also conducted which their comparison revealed appropriateness of the method for large peaks and low frequencies, but its shortage for small to medium peaks and motions with higher than 3 Hz frequencies.

Finite-strain large-deflection elastic-viscoplastic finite-element transient response analysis of structures

NASA Technical Reports Server (NTRS)

Rodal, J. J. A.; Witmer, E. A.

1979-01-01

A method of analysis for thin structures that incorporates finite strain, elastic-plastic, strain hardening, time dependent material behavior implemented with respect to a fixed configuration and is consistently valid for finite strains and finite rotations is developed. The theory is formulated systematically in a body fixed system of convected coordinates with materially embedded vectors that deform in common with continuum. Tensors are considered as linear vector functions and use is made of the dyadic representation. The kinematics of a deformable continuum is treated in detail, carefully defining precisely all quantities necessary for the analysis. The finite strain theory developed gives much better predictions and agreement with experiment than does the traditional small strain theory, and at practically no additional cost. This represents a very significant advance in the capability for the reliable prediction of nonlinear transient structural responses, including the reliable prediction of strains large enough to produce ductile metal rupture.

Raman-noise-induced quantum limits for χ(3) nondegenerate phase-sensitive amplification and quadrature squeezing

NASA Astrophysics Data System (ADS)

Voss, Paul L.; Köprülü, Kahraman G.; Kumar, Prem

2006-04-01

We present a quantum theory of nondegenerate phase-sensitive parametric amplification in a χ(3) nonlinear medium. The nonzero response time of the Kerr (χ(3)) nonlinearity determines the quantum-limited noise figure of χ(3) parametric amplification, as well as the limit on quadrature squeezing. This nonzero response time of the nonlinearity requires coupling of the parametric process to a molecular vibration phonon bath, causing the addition of excess noise through spontaneous Raman scattering. We present analytical expressions for the quantum-limited noise figure of frequency nondegenerate and frequency degenerate χ(3) parametric amplifiers operated as phase-sensitive amplifiers. We also present results for frequency nondegenerate quadrature squeezing. We show that our nondegenerate squeezing theory agrees with the degenerate squeezing theory of Boivin and Shapiro as degeneracy is approached. We have also included the effect of linear loss on the phase-sensitive process.

A Membrane Model from Implicit Elasticity Theory

PubMed Central

Freed, A. D.; Liao, J.; Einstein, D. R.

2014-01-01

A Fungean solid is derived for membranous materials as a body defined by isotropic response functions whose mathematical structure is that of a Hookean solid where the elastic constants are replaced by functions of state derived from an implicit, thermodynamic, internal-energy function. The theory utilizes Biot’s (1939) definitions for stress and strain that, in 1-dimension, are the stress/strain measures adopted by Fung (1967) when he postulated what is now known as Fung’s law. Our Fungean membrane model is parameterized against a biaxial data set acquired from a porcine pleural membrane subjected to three, sequential, proportional, planar extensions. These data support an isotropic/deviatoric split in the stress and strain-rate hypothesized by our theory. These data also demonstrate that the material response is highly non-linear but, otherwise, mechanically isotropic. These data are described reasonably well by our otherwise simple, four-parameter, material model. PMID:24282079

Ferroelectric hydration shells around proteins: electrostatics of the protein-water interface.

PubMed

LeBard, David N; Matyushov, Dmitry V

2010-07-22

Numerical simulations of hydrated proteins show that protein hydration shells are polarized into a ferroelectric layer with large values of the average dipole moment magnitude and the dipole moment variance. The emergence of the new polarized mesophase dramatically alters the statistics of electrostatic fluctuations at the protein-water interface. The linear response relation between the average electrostatic potential and its variance breaks down, with the breadth of the electrostatic fluctuations far exceeding the expectations of the linear response theories. The dynamics of these non-Gaussian electrostatic fluctuations are dominated by a slow (approximately = 1 ns) component that freezes in at the temperature of the dynamical transition of proteins. The ferroelectric shell propagates 3-5 water diameters into the bulk.

The Dynamic Response and Vibration of Functionally Graded Carbon Nanotube-Reinforced Composite (FG-CNTRC) Truncated Conical Shells Resting on Elastic Foundations

PubMed Central

Nguyen Dinh, Duc; Nguyen, Pham Dinh

2017-01-01

Based on the classical shell theory, the linear dynamic response of functionally graded carbon nanotube-reinforced composite (FG-CNTRC) truncated conical shells resting on elastic foundations subjected to dynamic loads is presented. The truncated conical shells are reinforced by single-walled carbon nanotubes (SWCNTs) that vary according to the linear functions of the shell thickness. The motion equations are solved by the Galerkin method and the fourth-order Runge–Kutta method. In numerical results, the influences of geometrical parameters, elastic foundations, natural frequency parameters, and nanotube volume fraction of FG-CNTRC truncated conical shells are investigated. The proposed results are validated by comparing them with those of other authors. PMID:29057821

Linear simulation of the stationary eddies in a GCM. II - The 'Mountain' model

NASA Technical Reports Server (NTRS)

Nigam, Sumant; Held, Isaac M.; Lyons, Steven W.

1988-01-01

Linear stationary wave theory is used to account for zonal asymmetries of the winter-averaged tropospheric circulation obtained in a GCM. The eddy zonal velocity field in the upper troposphere indicates that the orographic and thermal plus transient contributions are nearly equal in amplitude, while the eddy meridional velocity field (which is dominated by shorter zonal scales) shows the orographic contribution to be dominant. The two contributions are found to be roughly in phase over the east Asian coast, and they contribute roughly equal amounts to the low level Siberian high. Results indicate that the 300 mb extratropical response to tropical forcing reaches 50 gpm over Alaska, and that the responses to sensible heating and lower tropospheric transients are strongly anticorrelated.

Response of two-band systems to a single-mode quantized field

NASA Astrophysics Data System (ADS)

Shi, Z. C.; Shen, H. Z.; Wang, W.; Yi, X. X.

2016-03-01

The response of topological insulators (TIs) to an external weakly classical field can be expressed in terms of Kubo formula, which predicts quantized Hall conductivity of the quantum Hall family. The response of TIs to a single-mode quantized field, however, remains unexplored. In this work, we take the quantum nature of the external field into account and define a Hall conductance to characterize the linear response of a two-band system to the quantized field. The theory is then applied to topological insulators. Comparisons with the traditional Hall conductance are presented and discussed.

Non-linear wave-particle interactions and fast ion loss induced by multiple Alfvén eigenmodes in the DIII-D tokamak

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

Chen, Xi; Kramer, Gerrit J.; Heidbrink, William W.

2014-05-21

A new non-linear feature has been observed in fast-ion loss from tokamak plasmas in the form of oscillations at the sum, difference and second harmonic frequencies of two independent Alfvén eigenmodes (AEs). Full orbit calculations and analytic theory indicate this non-linearity is due to coupling of fast-ion orbital response as it passes through each AE — a change in wave-particle phase k • r by one mode alters the force exerted by the next. Furthermore, the loss measurement is of barely confined, non-resonant particles, while similar non-linear interactions can occur between well-confined particles and multiple AEs leading to enhanced fast-ionmore » transport.« less

Predicting Statistical Response and Extreme Events in Uncertainty Quantification through Reduced-Order Models

NASA Astrophysics Data System (ADS)

Qi, D.; Majda, A.

2017-12-01

A low-dimensional reduced-order statistical closure model is developed for quantifying the uncertainty in statistical sensitivity and intermittency in principal model directions with largest variability in high-dimensional turbulent system and turbulent transport models. Imperfect model sensitivity is improved through a recent mathematical strategy for calibrating model errors in a training phase, where information theory and linear statistical response theory are combined in a systematic fashion to achieve the optimal model performance. The idea in the reduced-order method is from a self-consistent mathematical framework for general systems with quadratic nonlinearity, where crucial high-order statistics are approximated by a systematic model calibration procedure. Model efficiency is improved through additional damping and noise corrections to replace the expensive energy-conserving nonlinear interactions. Model errors due to the imperfect nonlinear approximation are corrected by tuning the model parameters using linear response theory with an information metric in a training phase before prediction. A statistical energy principle is adopted to introduce a global scaling factor in characterizing the higher-order moments in a consistent way to improve model sensitivity. Stringent models of barotropic and baroclinic turbulence are used to display the feasibility of the reduced-order methods. Principal statistical responses in mean and variance can be captured by the reduced-order models with accuracy and efficiency. Besides, the reduced-order models are also used to capture crucial passive tracer field that is advected by the baroclinic turbulent flow. It is demonstrated that crucial principal statistical quantities like the tracer spectrum and fat-tails in the tracer probability density functions in the most important large scales can be captured efficiently with accuracy using the reduced-order tracer model in various dynamical regimes of the flow field with distinct statistical structures.

Flexoelectricity as a bulk property

NASA Astrophysics Data System (ADS)

Resta, Raffaele

2010-03-01

Piezoelectric composites can be created using nonpiezoelectric materials, by exploiting flexoelectricity. This is by definition the linear response of polarization to strain gradient, and is symmetry-allowed even in elemental crystals. However, the basic issue whether flexoelectricity is a bulk or a surface material property is open. We mention that the analogous issue about piezoelectricity is nontrivial either.^1 In this first attempt towards a full theory of flexoelectricity we prove that, for a simple class of strain and strain gradients, flexoelectricity is indeed a bulk effect. The key ingredients of the present theory are the long-range perturbations linearly induced by a unit displacement of a single nucleus in an otherwise perfect crystal: to leading order these are dipolar, quadrupolar, and octupolar. The corresponding tensors have rank 2, 3, and 4, respectively. Whereas dipoles and quadrupoles provide the piezoelectric response,^1 we show that dipoles and octupoles provide the flexoelectric response in nonpiezoelectric crystals. We conjecture that the full dipole and octupole tensors provide the flexoelectric response to the most general form of strain gradient. Our problem has a close relationship to the one of the ``absolute'' deformation potentials, which is based on a similar kind of dipolar and octupolar tensors.^2 ^1 R. M. Martin, Phys. Rev. B 5, 1607 (1972). ^2 R. Resta, L. Colombo and S. Baroni, Phys. Rev. B 41, 12538 (1990).

Many-body problem

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

Parry, W.E.

1973-01-01

An introduction is given to techniques used in the many-body problem, and a reference book is given for those techniques. Sevcral different formulations of the techniques, and their interrelations, are discussed, to prepare the reader for the published literature. Examples are taken mostly from the physics of solids, fluids and plasmas. Second quantization, perturbation theory, Green functions and correlation functions, examples in the use of diagrammatic perturbation theory, the equation of motion method, magnetism (the drone-fermion representation), linear response and transport processes, niany- body systems at zero temperature, the variational principle and pair-wave approximation. (UK)

Dipolar correlations and the dielectric permittivity of water.

PubMed

Sharma, Manu; Resta, Raffaele; Car, Roberto

2007-06-15

The static dielectric properties of liquid and solid water are investigated within linear response theory in the context of ab initio molecular dynamics. Using maximally localized Wannier functions to treat the macroscopic polarization we formulate a first-principles, parameter-free, generalization of Kirkwood's phenomenological theory. Our calculated static permittivity is in good agreement with experiment. Two effects of the hydrogen bonds, i.e., a significant increase of the average local moment and a local alignment of the molecular dipoles, contribute in almost equal measure to the unusually large dielectric constant of water.

Upstream ionization instability associated with a current-free double layer.

PubMed

Aanesland, A; Charles, C; Lieberman, M A; Boswell, R W

2006-08-18

A low frequency instability has been observed using various electrostatic probes in a low-pressure expanding helicon plasma. The instability is associated with the presence of a current-free double layer (DL). The frequency of the instability increases linearly with the potential drop of the DL, and simultaneous measurements show their coexistence. A theory for an upstream ionization instability has been developed, which shows that electrons accelerated through the DL increase the ionization upstream and are responsible for the observed instability. The theory is in good agreement with the experimental results.

Systematic study of doping dependence on linear magnetoresistance in p-PbTe

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

Schneider, J. M.; Chitta, V. A.; Oliveira, N. F.

2014-10-20

We report on a large linear magnetoresistance effect observed in doped p-PbTe films. While undoped p-PbTe reveals a sublinear magnetoresistance, p-PbTe films doped with BaF{sub 2} exhibit a transition to a nearly perfect linear magnetoresistance behaviour that is persistent up to 30 T. The linear magnetoresistance slope ΔR/ΔB is to a good approximation, independent of temperature. This is in agreement with the theory of Quantum Linear Magnetoresistance. We also performed magnetoresistance simulations using a classical model of linear magnetoresistance. We found that this model fails to explain the experimental data. A systematic study of the doping dependence reveals that the linearmore » magnetoresistance response has a maximum for small BaF{sub 2} doping levels and diminishes rapidly for increasing doping levels. Exploiting the huge impact of doping on the linear magnetoresistance signal could lead to new classes of devices with giant magnetoresistance behavior.« less

Optimal control theory investigation of proprotor/wing response to vertical gust

NASA Technical Reports Server (NTRS)

Frick, J. K. D.; Johnson, W.

1974-01-01

Optimal control theory is used to design linear state variable feedback to improve the dynamic characteristics of a rotor and cantilever wing representing the tilting proprotor aircraft in cruise flight. The response to a vertical gust and system damping are used as criteria for the open and closed loop performance. The improvement in the dynamic characteristics achievable is examined for a gimballed rotor and for a hingeless rotor design. Several features of the design process are examined, including: (1) using only the wing or only the rotor dynamics in the control system design; (2) the use of a wing flap as well as the rotor controls for inputs; (3) and the performance of the system designed for one velocity at other forward speeds.

Aeroelasticity and structural optimization of composite helicopter rotor blades with swept tips

NASA Technical Reports Server (NTRS)

Yuan, K. A.; Friedmann, P. P.

1995-01-01

This report describes the development of an aeroelastic analysis capability for composite helicopter rotor blades with straight and swept tips, and its application to the simulation of helicopter vibration reduction through structural optimization. A new aeroelastic model is developed in this study which is suitable for composite rotor blades with swept tips in hover and in forward flight. The hingeless blade is modeled by beam type finite elements. A single finite element is used to model the swept tip. Arbitrary cross-sectional shape, generally anisotropic material behavior, transverse shears and out-of-plane warping are included in the blade model. The nonlinear equations of motion, derived using Hamilton's principle, are based on a moderate deflection theory. Composite blade cross-sectbnal properties are calculated by a separate linear, two-dimensional cross section analysis. The aerodynamic loads are obtained from quasi-steady, incompressible aerodynamics, based on an implicit formulation. The trim and steady state blade aeroelastic response are solved in a fully coupled manner. In forward flight, where the blade equations of motion are periodic, the coupled trim-aeroelastic response solution is obtained from the harmonic balance method. Subsequently, the periodic system is linearized about the steady state response, and its stability is determined from Floquet theory.

Feasibility of combining linear theory and impact theory methods for the analysis and design of high speed configurations

NASA Technical Reports Server (NTRS)

Brooke, D.; Vondrasek, D. V.

1978-01-01

The aerodynamic influence coefficients calculated using an existing linear theory program were used to modify the pressures calculated using impact theory. Application of the combined approach to several wing-alone configurations shows that the combined approach gives improved predictions of the local pressure and loadings over either linear theory alone or impact theory alone. The approach not only removes most of the short-comings of the individual methods, as applied in the Mach 4 to 8 range, but also provides the basis for an inverse design procedure applicable to high speed configurations.

Computation of linear acceleration through an internal model in the macaque cerebellum

PubMed Central

Laurens, Jean; Meng, Hui; Angelaki, Dora E.

2013-01-01

A combination of theory and behavioral findings has supported a role for internal models in the resolution of sensory ambiguities and sensorimotor processing. Although the cerebellum has been proposed as a candidate for implementation of internal models, concrete evidence from neural responses is lacking. Here we exploit un-natural motion stimuli, which induce incorrect self-motion perception and eye movements, to explore the neural correlates of an internal model proposed to compensate for Einstein’s equivalence principle and generate neural estimates of linear acceleration and gravity. We show that caudal cerebellar vermis Purkinje cells and cerebellar nuclei neurons selective for actual linear acceleration also encode erroneous linear acceleration, as expected from the internal model hypothesis, even when no actual linear acceleration occurs. These findings provide strong evidence that the cerebellum might be involved in the implementation of internal models that mimic physical principles to interpret sensory signals, as previously hypothesized by theorists. PMID:24077562

Employing Theories Far beyond Their Limits - Linear Dichroism Theory.

PubMed

Mayerhöfer, Thomas G

2018-05-15

Using linear polarized light, it is possible in case of ordered structures, such as stretched polymers or single crystals, to determine the orientation of the transition moments of electronic and vibrational transitions. This not only helps to resolve overlapping bands, but also assigning the symmetry species of the transitions and to elucidate the structure. To perform spectral evaluation quantitatively, a sometimes "Linear Dichroism Theory" called approach is very often used. This approach links the relative orientation of the transition moment and polarization direction to the quantity absorbance. This linkage is highly questionable for several reasons. First of all, absorbance is a quantity that is by its definition not compatible with Maxwell's equations. Furthermore, absorbance seems not to be the quantity which is generally compatible with linear dichroism theory. In addition, linear dichroism theory disregards that it is not only the angle between transition moment and polarization direction, but also the angle between sample surface and transition moment, that influences band shape and intensity. Accordingly, the often invoked "magic angle" has never existed and the orientation distribution influences spectra to a much higher degree than if linear dichroism theory would hold strictly. A last point that is completely ignored by linear dichroism theory is the fact that partially oriented or randomly-oriented samples usually consist of ordered domains. It is their size relative to the wavelength of light that can also greatly influence a spectrum. All these findings can help to elucidate orientation to a much higher degree by optical methods than currently thought possible by the users of linear dichroism theory. Hence, it is the goal of this contribution to point out these shortcomings of linear dichroism theory to its users to stimulate efforts to overcome the long-lasting stagnation of this important field. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Using a Linear Regression Method to Detect Outliers in IRT Common Item Equating

ERIC Educational Resources Information Center

He, Yong; Cui, Zhongmin; Fang, Yu; Chen, Hanwei

2013-01-01

Common test items play an important role in equating alternate test forms under the common item nonequivalent groups design. When the item response theory (IRT) method is applied in equating, inconsistent item parameter estimates among common items can lead to large bias in equated scores. It is prudent to evaluate inconsistency in parameter…

An Empirical Comparison of DDF Detection Methods for Understanding the Causes of DIF in Multiple-Choice Items

ERIC Educational Resources Information Center

Suh, Youngsuk; Talley, Anna E.

2015-01-01

This study compared and illustrated four differential distractor functioning (DDF) detection methods for analyzing multiple-choice items. The log-linear approach, two item response theory-model-based approaches with likelihood ratio tests, and the odds ratio approach were compared to examine the congruence among the four DDF detection methods.…

Using IRT Trait Estimates versus Summated Scores in Predicting Outcomes

ERIC Educational Resources Information Center

Xu, Ting; Stone, Clement A.

2012-01-01

It has been argued that item response theory trait estimates should be used in analyses rather than number right (NR) or summated scale (SS) scores. Thissen and Orlando postulated that IRT scaling tends to produce trait estimates that are linearly related to the underlying trait being measured. Therefore, IRT trait estimates can be more useful…

Ab-initio modeling of electromechanical coupling at Si surfaces

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

Hoppe, Sandra; Müller, Stefan, E-mail: stefan.mueller@tuhh.de; Michl, Anja

The electromechanical coupling at the silicon (100) and (111) surfaces was studied via density functional theory by calculating the response of the ionization potential and the electron affinity to different types of strain. We find a branched strain response of those two quantities with different coupling coefficients for negative and positive strain values. This can be attributed to the reduced crystal symmetry due to anisotropic strain, which partially lifts the degeneracy of the valence and conduction bands. Only the Si(111) electron affinity exhibits a monotonously linear strain response, as the conduction band valleys remain degenerate under strain. The strain responsemore » of the surface dipole is linear and seems to be dominated by volume changes. Our results may help to understand the mechanisms behind electromechanical coupling at an atomic level in greater detail and for different electronic and atomic structures.« less

Practical methods for dealing with 'not applicable' item responses in the AMC Linear Disability Score project

PubMed Central

Holman, Rebecca; Glas, Cees AW; Lindeboom, Robert; Zwinderman, Aeilko H; de Haan, Rob J

2004-01-01

Background Whenever questionnaires are used to collect data on constructs, such as functional status or health related quality of life, it is unlikely that all respondents will respond to all items. This paper examines ways of dealing with responses in a 'not applicable' category to items included in the AMC Linear Disability Score (ALDS) project item bank. Methods The data examined in this paper come from the responses of 392 respondents to 32 items and form part of the calibration sample for the ALDS item bank. The data are analysed using the one-parameter logistic item response theory model. The four practical strategies for dealing with this type of response are: cold deck imputation; hot deck imputation; treating the missing responses as if these items had never been offered to those individual patients; and using a model which takes account of the 'tendency to respond to items'. Results The item and respondent population parameter estimates were very similar for the strategies involving hot deck imputation; treating the missing responses as if these items had never been offered to those individual patients; and using a model which takes account of the 'tendency to respond to items'. The estimates obtained using the cold deck imputation method were substantially different. Conclusions The cold deck imputation method was not considered suitable for use in the ALDS item bank. The other three methods described can be usefully implemented in the ALDS item bank, depending on the purpose of the data analysis to be carried out. These three methods may be useful for other data sets examining similar constructs, when item response theory based methods are used. PMID:15200681

Towards time-dependent current-density-functional theory in the non-linear regime

NASA Astrophysics Data System (ADS)

Escartín, J. M.; Vincendon, M.; Romaniello, P.; Dinh, P. M.; Reinhard, P.-G.; Suraud, E.

2015-02-01

Time-Dependent Density-Functional Theory (TDDFT) is a well-established theoretical approach to describe and understand irradiation processes in clusters and molecules. However, within the so-called adiabatic local density approximation (ALDA) to the exchange-correlation (xc) potential, TDDFT can show insufficiencies, particularly in violently dynamical processes. This is because within ALDA the xc potential is instantaneous and is a local functional of the density, which means that this approximation neglects memory effects and long-range effects. A way to go beyond ALDA is to use Time-Dependent Current-Density-Functional Theory (TDCDFT), in which the basic quantity is the current density rather than the density as in TDDFT. This has been shown to offer an adequate account of dissipation in the linear domain when the Vignale-Kohn (VK) functional is used. Here, we go beyond the linear regime and we explore this formulation in the time domain. In this case, the equations become very involved making the computation out of reach; we hence propose an approximation to the VK functional which allows us to calculate the dynamics in real time and at the same time to keep most of the physics described by the VK functional. We apply this formulation to the calculation of the time-dependent dipole moment of Ca, Mg and Na2. Our results show trends similar to what was previously observed in model systems or within linear response. In the non-linear domain, our results show that relaxation times do not decrease with increasing deposited excitation energy, which sets some limitations to the practical use of TDCDFT in such a domain of excitations.

Experimental investigation of gravity wave turbulence and of non-linear four wave interactions..

NASA Astrophysics Data System (ADS)

Berhanu, Michael

2017-04-01

Using the large basins of the Ecole Centrale de Nantes (France), non-linear interactions of gravity surface waves are experimentally investigated. In a first part we study statistical properties of a random wave field regarding the insights from the Wave Turbulence Theory. In particular freely decaying gravity wave turbulence is generated in a closed basin. No self-similar decay of the spectrum is observed, whereas its Fourier modes decay first as a time power law due to nonl-inear mechanisms, and then exponentially due to linear viscous damping. We estimate the linear, non-linear and dissipative time scales to test the time scale separation. By estimation of the mean energy flux from the initial decay of wave energy, the Kolmogorov-Zakharov constant of the weak turbulence theory is evaluated. In a second part, resonant interactions of oblique surface gravity waves in a large basin are studied. We generate two oblique waves crossing at an acute angle. These mother waves mutually interact and give birth to a resonant wave whose properties (growth rate, resonant response curve and phase locking) are fully characterized. All our experimental results are found in good quantitative agreement with four-wave interaction theory. L. Deike, B. Miquel, P. Gutiérrez, T. Jamin, B. Semin, M. Berhanu, E. Falcon and F. Bonnefoy, Role of the basin boundary conditions in gravity wave turbulence, Journal of Fluid Mechanics 781, 196 (2015) F. Bonnefoy, F. Haudin, G. Michel, B. Semin, T. Humbert, S. Aumaître, M. Berhanu and E. Falcon, Observation of resonant interactions among surface gravity waves, Journal of Fluid Mechanics (Rapids) 805, R3 (2016)

Towards time-dependent current-density-functional theory in the non-linear regime.

PubMed

Escartín, J M; Vincendon, M; Romaniello, P; Dinh, P M; Reinhard, P-G; Suraud, E

2015-02-28

Time-Dependent Density-Functional Theory (TDDFT) is a well-established theoretical approach to describe and understand irradiation processes in clusters and molecules. However, within the so-called adiabatic local density approximation (ALDA) to the exchange-correlation (xc) potential, TDDFT can show insufficiencies, particularly in violently dynamical processes. This is because within ALDA the xc potential is instantaneous and is a local functional of the density, which means that this approximation neglects memory effects and long-range effects. A way to go beyond ALDA is to use Time-Dependent Current-Density-Functional Theory (TDCDFT), in which the basic quantity is the current density rather than the density as in TDDFT. This has been shown to offer an adequate account of dissipation in the linear domain when the Vignale-Kohn (VK) functional is used. Here, we go beyond the linear regime and we explore this formulation in the time domain. In this case, the equations become very involved making the computation out of reach; we hence propose an approximation to the VK functional which allows us to calculate the dynamics in real time and at the same time to keep most of the physics described by the VK functional. We apply this formulation to the calculation of the time-dependent dipole moment of Ca, Mg and Na2. Our results show trends similar to what was previously observed in model systems or within linear response. In the non-linear domain, our results show that relaxation times do not decrease with increasing deposited excitation energy, which sets some limitations to the practical use of TDCDFT in such a domain of excitations.

Theory of unidirectional magnetoresistance in magnetic heterostructures

NASA Astrophysics Data System (ADS)

Zhang, Steven S.-L.; Vignale, Giovanni

2017-09-01

We present a general drift-diffusion theory beyond linear response to explain the unidirectional magnetoresistance (UMR) observed in recent experiments in various magnetic heterostructures. In general, such nonlinear magnetoresistance may originate from the concerted action of current-induced spin accumulation and spin asymmetry in electron mobility. As a case study, we calculate the UMR in a bilayer system consisting of a heavy-metal (HM) and a ferromagnetic metal (FM), where the spin accumulation is induced via the spin Hall effect in the bulk of the HM layer. Our previous formulation [cf. PRB 94, 140411(R) (2016)] is generalized to include the interface resistance and spin memory loss, which allows us to analyze in details their effects on the UMR. We found that the UMR turns out to be independent of the spin asymmetry of the interfacial resistance, at variance with the linear giant-magnetoresistance (GMR) effect. A linear relation between the UMR and the conductivity-spin asymmetry is revealed, which provides an alternative way to control the sign and magnitude of the UMR and hence may serve as an experimental signature of our proposed mechanism.

A Linear Theory for Inflatable Plates of Arbitrary Shape

NASA Technical Reports Server (NTRS)

McComb, Harvey G., Jr.

1961-01-01

A linear small-deflection theory is developed for the elastic behavior of inflatable plates of which Airmat is an example. Included in the theory are the effects of a small linear taper in the depth of the plate. Solutions are presented for some simple problems in the lateral deflection and vibration of constant-depth rectangular inflatable plates.

Time dependent density functional calculation of plasmon response in clusters

NASA Astrophysics Data System (ADS)

Wang, Feng; Zhang, Feng-Shou; Eric, Suraud

2003-02-01

We have introduced a theoretical scheme for the efficient description of the optical response of a cluster based on the time-dependent density functional theory. The practical implementation is done by means of the fully fledged time-dependent local density approximation scheme, which is solved directly in the time domain without any linearization. As an example we consider the simple Na2 cluster and compute its surface plasmon photoabsorption cross section, which is in good agreement with the experiments.

Beck's cognitive theory and the response style theory of depression in adolescents with and without mild to borderline intellectual disability.

PubMed

Weeland, Martine M; Nijhof, Karin S; Otten, R; Vermaes, Ignace P R; Buitelaar, Jan K

2017-10-01

This study tests the validity of Beck's cognitive theory and Nolen-Hoeksema's response style theory of depression in adolescents with and without MBID. The relationship between negative cognitive errors (Beck), response styles (Nolen-Hoeksema) and depressive symptoms was examined in 135 adolescents using linear regression. The cognitive error 'underestimation of the ability to cope' was more prevalent among adolescents with MBID than among adolescents with average intelligence. This was the only negative cognitive error that predicted depressive symptoms. There were no differences between groups in the prevalence of the three response styles. In line with the theory, ruminating was positively and problem-solving was negatively related to depressive symptoms. Distractive response styles were not related to depressive symptoms. The relationship between response styles, cognitive errors and depressive symptoms were similar for both groups. The main premises of both theories of depression are equally applicable to adolescents with and without MBID. The cognitive error 'Underestimation of the ability to cope' poses a specific risk factor for developing a depression for adolescents with MBID and requires special attention in treatment and prevention of depression. WHAT THIS PAPER ADDS?: Despite the high prevalence of depression among adolescents with MBID, little is known about the etiology and cognitive processes that play a role in the development of depression in this group. The current paper fills this gap in research by examining the core tenets of two important theories on the etiology of depression (Beck's cognitive theory and Nolen-Hoeksema's response style theory) in a clinical sample of adolescents with and without MBID. This paper demonstrated that the theories are equally applicable to adolescents with MBID, as to adolescents with average intellectual ability. However, the cognitive bias 'underestimation of the ability to cope' was the only cognitive error related to depressive symptoms, and was much more prevalent among adolescents with MBID than among adolescents with average intellectual ability. This suggests that underestimating one's coping skills may be a unique risk factor for depression among adolescents with MBID. This knowledge is important in understanding the causes and perpetuating mechanisms of depression in adolescents with MBID, and for the development of prevention- and treatment programs for adolescents with MBID. Copyright © 2017 Elsevier Ltd. All rights reserved.

Structural health monitoring based on sensitivity vector fields and attractor morphing.

PubMed

Yin, Shih-Hsun; Epureanu, Bogdan I

2006-09-15

The dynamic responses of a thermo-shielding panel forced by unsteady aerodynamic loads and a classical Duffing oscillator are investigated to detect structural damage. A nonlinear aeroelastic model is obtained for the panel by using third-order piston theory to model the unsteady supersonic flow, which interacts with the panel. To identify damage, we analyse the morphology (deformation and movement) of the attractor of the dynamics of the aeroelastic system and the Duffing oscillator. Damages of various locations, extents and levels are shown to be revealed by the attractor-based analysis. For the panel, the type of damage considered is a local reduction in the bending stiffness. For the Duffing oscillator, variations in the linear and nonlinear stiffnesses and damping are considered as damage. Present studies of such problems are based on linear theories. In contrast, the presented approach using nonlinear dynamics has the potential of enhancing accuracy and sensitivity of detection.

A variable structure approach to robust control of VTOL aircraft

NASA Technical Reports Server (NTRS)

Calise, A. J.; Kramer, F.

1982-01-01

This paper examines the application of variable structure control theory to the design of a flight control system for the AV-8A Harrier in a hover mode. The objective in variable structure design is to confine the motion to a subspace of the total state space. The motion in this subspace is insensitive to system parameter variations and external disturbances that lie in the range space of the control. A switching type of control law results from the design procedure. The control system was designed to track a vector velocity command defined in the body frame. For comparison purposes, a proportional controller was designed using optimal linear regulator theory. Both control designs were first evaluated for transient response performance using a linearized model, then a nonlinear simulation study of a hovering approach to landing was conducted. Wind turbulence was modeled using a 1052 destroyer class air wake model.

Simulation and theory of spontaneous TAE frequency sweeping

NASA Astrophysics Data System (ADS)

Wang, Ge; Berk, H. L.

2012-09-01

A simulation model, based on the linear tip model of Rosenbluth, Berk and Van Dam (RBV), is developed to study frequency sweeping of toroidal Alfvén eigenmodes (TAEs). The time response of the background wave in the RBV model is given by a Volterra integral equation. This model captures the properties of TAE waves both in the gap and in the continuum. The simulation shows that phase space structures form spontaneously at frequencies close to the linearly predicted frequency, due to resonant particle-wave interactions and background dissipation. The frequency sweeping signals are found to chirp towards the upper and lower continua. However, the chirping signals penetrate only the lower continuum, whereupon the frequency chirps and mode amplitude increases in synchronism to produce an explosive solution. An adiabatic theory describing the evolution of a chirping signal is developed which replicates the chirping dynamics of the simulation in the lower continuum. This theory predicts that a decaying chirping signal will terminate at the upper continuum though in the numerical simulation the hole disintegrates before the upper continuum is reached.

Exploring the remarkable limits of continuum elastic theory to understand the nanomechanics of viruses

NASA Astrophysics Data System (ADS)

Roos, Wouter; Gibbons, Melissa; Klug, William; Wuite, Gijs

2009-03-01

We report nanoindentation experiments by atomic force microscopy on capsids of the Hepatitis B Virus (HBV). HBV is investigated because its capsids can form in either a smaller T=3 or a bigger T=4 configuration, making it an ideal system to test the predictive power of continuum elastic theory to describe nanometre-sized objects. It is shown that for small, consecutive indentations the particles behave reversibly linear and no material fatigue occurs. For larger indentations the particles start to deform non-linearly. The experimental force response fits very well with finite element simulations on coarse grained models of HBV capsids. Furthermore, this also fits with thin shell simulations guided by the F"oppl- von K'arm'an (FvK) number (the dimensionless ratio of stretching and bending stiffness of a thin shell). Both the T=3 and T=4 morphology are very well described by the simulations and the capsid material turns out to have the same Young's modulus, as expected. The presented results demonstrate the surprising strength of continuum elastic theory to describe indentation of viral capsids.

Density-matrix renormalization group method for the conductance of one-dimensional correlated systems using the Kubo formula

NASA Astrophysics Data System (ADS)

Bischoff, Jan-Moritz; Jeckelmann, Eric

2017-11-01

We improve the density-matrix renormalization group (DMRG) evaluation of the Kubo formula for the zero-temperature linear conductance of one-dimensional correlated systems. The dynamical DMRG is used to compute the linear response of a finite system to an applied ac source-drain voltage; then the low-frequency finite-system response is extrapolated to the thermodynamic limit to obtain the dc conductance of an infinite system. The method is demonstrated on the one-dimensional spinless fermion model at half filling. Our method is able to replicate several predictions of the Luttinger liquid theory such as the renormalization of the conductance in a homogeneous conductor, the universal effects of a single barrier, and the resonant tunneling through a double barrier.

Mutations induced in Tradescantia by small doses of X-rays and neutrons - Analysis of dose-response curves.

NASA Technical Reports Server (NTRS)

Sparrow, A. H.; Underbrink, A. G.; Rossi, H. H.

1972-01-01

Dose-response curves for pink somatic mutations in Tradescantia stamen hairs were analyzed after neutron and X-ray irradiation with doses ranging from a fraction of a rad to the region of saturation. The dose-effect relation for neutrons indicates a linear dependence from 0.01 to 8 rads; between 0.25 and 5 rads, a linear dependence is indicated for X-rays also. As a consequence the relative biological effectiveness reaches a constant value (about 50) at low doses. The observations are in good agreement with the predictions of the theory of dual radiation action and support its interpretation of the effects of radiation on higher organisms. The doubling dose of X-rays was found to be nearly 1 rad.

Nonreciprocal quantum Hall devices with driven edge magnetoplasmons in two-dimensional materials

NASA Astrophysics Data System (ADS)

Bosco, S.; DiVincenzo, D. P.

2017-05-01

We develop a theory that describes the response of nonreciprocal devices employing two-dimensional materials in the quantum Hall regime capacitively coupled to external electrodes. As the conduction in these devices is understood to be associated to the edge magnetoplasmons (EMPs), we first investigate the EMP problem by using the linear response theory in the random phase approximation. Our model can incorporate several cases that were often treated on different grounds in literature. In particular, we analyze plasmonic excitations supported by a smooth and sharp confining potential in a two-dimensional electron gas, and in monolayer graphene, and we point out the similarities and differences in these materials. We also account for a general time-dependent external drive applied to the system. Finally, we describe the behavior of a nonreciprocal quantum Hall device: the response contains additional resonant features, which were not foreseen from previous models.

Accurate frequency domain measurement of the best linear time-invariant approximation of linear time-periodic systems including the quantification of the time-periodic distortions

NASA Astrophysics Data System (ADS)

Louarroudi, E.; Pintelon, R.; Lataire, J.

2014-10-01

Time-periodic (TP) phenomena occurring, for instance, in wind turbines, helicopters, anisotropic shaft-bearing systems, and cardiovascular/respiratory systems, are often not addressed when classical frequency response function (FRF) measurements are performed. As the traditional FRF concept is based on the linear time-invariant (LTI) system theory, it is only approximately valid for systems with varying dynamics. Accordingly, the quantification of any deviation from this ideal LTI framework is more than welcome. The “measure of deviation” allows us to define the notion of the best LTI (BLTI) approximation, which yields the best - in mean square sense - LTI description of a linear time-periodic LTP system. By taking into consideration the TP effects, it is shown in this paper that the variability of the BLTI measurement can be reduced significantly compared with that of classical FRF estimators. From a single experiment, the proposed identification methods can handle (non-)linear time-periodic [(N)LTP] systems in open-loop with a quantification of (i) the noise and/or the NL distortions, (ii) the TP distortions and (iii) the transient (leakage) errors. Besides, a geometrical interpretation of the BLTI approximation is provided, leading to a framework called vector FRF analysis. The theory presented is supported by numerical simulations as well as real measurements mimicking the well-known mechanical Mathieu oscillator.

Linear Dichroism in Angle-Resolved Core-Level Photoemission Spectra Reflecting 4f Ground-State Symmetry of Strongly Correlated Cubic Pr Compounds

NASA Astrophysics Data System (ADS)

Hamamoto, Satoru; Fujioka, Shuhei; Kanai, Yuina; Yamagami, Kohei; Nakatani, Yasuhiro; Nakagawa, Koya; Fujiwara, Hidenori; Kiss, Takayuki; Higashiya, Atsushi; Yamasaki, Atsushi; Kadono, Toshiharu; Imada, Shin; Tanaka, Arata; Tamasaku, Kenji; Yabashi, Makina; Ishikawa, Tetsuya; Matsumoto, Keisuke T.; Onimaru, Takahiro; Takabatake, Toshiro; Sekiyama, Akira

2017-12-01

We report experimentally observed linear dichroism in angle-resolved core-level photoemission spectra of PrIr2Zn20 and PrB6 with cubic symmetry. The different anisotropic 4f charge distributions between the compounds due to the crystalline-electric-field splitting are responsible for the difference in the linear dichroism, which has been verified by spectral simulations with the full multiplet theory for a single-site Pr3+ ion with cubic symmetry. The observed linear dichroism and polarization-dependent spectra in two different photoelectron directions for PrIr2Zn20 are reproduced by theoretical analysis for the Γ3 ground state, whereas those of the Pr 3d and 4d core levels indicate the Γ5 ground state for PrB6.

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

Chen, Jing-Yuan, E-mail: chjy@uchicago.edu; Stanford Institute for Theoretical Physics, Stanford University, CA 94305; Son, Dam Thanh, E-mail: dtson@uchicago.edu

We develop an extension of the Landau Fermi liquid theory to systems of interacting fermions with non-trivial Berry curvature. We propose a kinetic equation and a constitutive relation for the electromagnetic current that together encode the linear response of such systems to external electromagnetic perturbations, to leading and next-to-leading orders in the expansion over the frequency and wave number of the perturbations. We analyze the Feynman diagrams in a large class of interacting quantum field theories and show that, after summing up all orders in perturbation theory, the current–current correlator exactly matches with the result obtained from the kinetic theory.more » - Highlights: • We extend Landau’s kinetic theory of Fermi liquid to incorporate Berry phase. • Berry phase effects in Fermi liquid take exactly the same form as in Fermi gas. • There is a new “emergent electric dipole” contribution to the anomalous Hall effect. • Our kinetic theory is matched to field theory to all orders in Feynman diagrams.« less

Linear Response Path Following: A Molecular Dynamics Method To Simulate Global Conformational Changes of Protein upon Ligand Binding.

PubMed

Tamura, Koichi; Hayashi, Shigehiko

2015-07-14

Molecular functions of proteins are often fulfilled by global conformational changes that couple with local events such as the binding of ligand molecules. High molecular complexity of proteins has, however, been an obstacle to obtain an atomistic view of the global conformational transitions, imposing a limitation on the mechanistic understanding of the functional processes. In this study, we developed a new method of molecular dynamics (MD) simulation called the linear response path following (LRPF) to simulate a protein's global conformational changes upon ligand binding. The method introduces a biasing force based on a linear response theory, which determines a local reaction coordinate in the configuration space that represents linear coupling between local events of ligand binding and global conformational changes and thus provides one with fully atomistic models undergoing large conformational changes without knowledge of a target structure. The overall transition process involving nonlinear conformational changes is simulated through iterative cycles consisting of a biased MD simulation with an updated linear response force and a following unbiased MD simulation for relaxation. We applied the method to the simulation of global conformational changes of the yeast calmodulin N-terminal domain and successfully searched out the end conformation. The atomistically detailed trajectories revealed a sequence of molecular events that properly lead to the global conformational changes and identified key steps of local-global coupling that induce the conformational transitions. The LRPF method provides one with a powerful means to model conformational changes of proteins such as motors and transporters where local-global coupling plays a pivotal role in their functional processes.

Quasi-linear theory via the cumulant expansion approach

NASA Technical Reports Server (NTRS)

Jones, F. C.; Birmingham, T. J.

1974-01-01

The cumulant expansion technique of Kubo was used to derive an intergro-differential equation for f , the average one particle distribution function for particles being accelerated by electric and magnetic fluctuations of a general nature. For a very restricted class of fluctuations, the f equation degenerates exactly to a differential equation of Fokker-Planck type. Quasi-linear theory, including the adiabatic assumption, is an exact theory for this limited class of fluctuations. For more physically realistic fluctuations, however, quasi-linear theory is at best approximate.

Response Classification Images in Vernier Acuity

NASA Technical Reports Server (NTRS)

Ahumada, Albert J., Jr.; Beard, B. L.; Ellis, Stephen R. (Technical Monitor)

1997-01-01

Orientation selective and local sign mechanisms have been proposed as the basis for vernier acuity judgments. Linear image features contributing to discrimination can be determined for a two choice task by adding external noise to the images and then averaging the noises separately for the four types of stimulus/response trials. This method is applied to a vernier acuity task with different spatial separations to compare the predictions of the two theories. Three well-practiced observers were presented around 5000 trials of a vernier stimulus consisting of two dark horizontal lines (5 min by 0.3 min) within additive low-contrast white noise. Two spatial separations were tested, abutting and a 10 min horizontal separation. The task was to determine whether the target lines were aligned or vertically offset. The noises were averaged separately for the four stimulus/response trial types (e.g., stimulus = offset, response = aligned). The sum of the two 'not aligned' images was then subtracted from the sum of the 'aligned' images to obtain an overall image. Spatially smoothed images were quantized according to expected variability in the smoothed images to allow estimation of the statistical significance of image features. The response images from the 10 min separation condition are consistent with the local sign theory, having the appearance of two linear operators measuring vertical position with opposite sign. The images from the abutting stimulus have the same appearance with the two operators closer together. The image predicted by an oriented filter model is similar, but has its greatest weight in the abutting region, while the response images fall to nonsignificance there. The response correlation image method, previously demonstrated for letter discrimination, clarifies the features used in vernier acuity.

Nonlinear Large Deflection Theory with Modified Aeroelastic Lifting Line Aerodynamics for a High Aspect Ratio Flexible Wing

NASA Technical Reports Server (NTRS)

Nguyen, Nhan; Ting, Eric; Chaparro, Daniel

2017-01-01

This paper investigates the effect of nonlinear large deflection bending on the aerodynamic performance of a high aspect ratio flexible wing. A set of nonlinear static aeroelastic equations are derived for the large bending deflection of a high aspect ratio wing structure. An analysis is conducted to compare the nonlinear bending theory with the linear bending theory. The results show that the nonlinear bending theory is length-preserving whereas the linear bending theory causes a non-physical effect of lengthening the wing structure under the no axial load condition. A modified lifting line theory is developed to compute the lift and drag coefficients of a wing structure undergoing a large bending deflection. The lift and drag coefficients are more accurately estimated by the nonlinear bending theory due to its length-preserving property. The nonlinear bending theory yields lower lift and span efficiency than the linear bending theory. A coupled aerodynamic-nonlinear finite element model is developed to implement the nonlinear bending theory for a Common Research Model (CRM) flexible wing wind tunnel model to be tested in the University of Washington Aeronautical Laboratory (UWAL). The structural stiffness of the model is designed to give about 10% wing tip deflection which is large enough that could cause the nonlinear deflection effect to become significant. The computational results show that the nonlinear bending theory yields slightly less lift than the linear bending theory for this wind tunnel model. As a result, the linear bending theory is deemed adequate for the CRM wind tunnel model.

Ion radial diffusion in an electrostatic impulse model for stormtime ring current formation

NASA Technical Reports Server (NTRS)

Chen, Margaret W.; Schulz, Michael; Lyons, Larry R.; Gorney, David J.

1992-01-01

Two refinements to the quasi-linear theory of ion radial diffusion are proposed and examined analytically with simulations of particle trajectories. The resonance-broadening correction by Dungey (1965) is applied to the quasi-linear diffusion theory by Faelthammar (1965) for an individual model storm. Quasi-linear theory is then applied to the mean diffusion coefficients resulting from simulations of particle trajectories in 20 model storms. The correction for drift-resonance broadening results in quasi-linear diffusion coefficients with discrepancies from the corresponding simulated values that are reduced by a factor of about 3. Further reductions in the discrepancies are noted following the averaging of the quasi-linear diffusion coefficients, the simulated coefficients, and the resonance-broadened coefficients for the 20 storms. Quasi-linear theory provides good descriptions of particle transport for a single storm but performs even better in conjunction with the present ensemble-averaging.

Newton's method: A link between continuous and discrete solutions of nonlinear problems

NASA Technical Reports Server (NTRS)

Thurston, G. A.

1980-01-01

Newton's method for nonlinear mechanics problems replaces the governing nonlinear equations by an iterative sequence of linear equations. When the linear equations are linear differential equations, the equations are usually solved by numerical methods. The iterative sequence in Newton's method can exhibit poor convergence properties when the nonlinear problem has multiple solutions for a fixed set of parameters, unless the iterative sequences are aimed at solving for each solution separately. The theory of the linear differential operators is often a better guide for solution strategies in applying Newton's method than the theory of linear algebra associated with the numerical analogs of the differential operators. In fact, the theory for the differential operators can suggest the choice of numerical linear operators. In this paper the method of variation of parameters from the theory of linear ordinary differential equations is examined in detail in the context of Newton's method to demonstrate how it might be used as a guide for numerical solutions.

NONLINEAR OPTICAL EFFECTS AND FIBER OPTICS: Theory of four-wave mixing in photorefractive media when the response of a medium is nonlinear in respect of the modulation parameter

NASA Astrophysics Data System (ADS)

Zozulya, A. A.

1988-12-01

A theoretical model is constructed for four-wave mixing in a photorefractive crystal where a transmission grating is formed by the drift-diffusion nonlinearity mechanism in the absence of an external electrostatic field and the response of the medium is nonlinear in respect of the modulation parameter. A comparison is made with a model in which the response of the medium is linear in respect of the modulation parameter. Theoretical models of four-wave and two-wave mixing are also compared with experiments.

Black branes as piezoelectrics.

PubMed

Armas, Jay; Gath, Jakob; Obers, Niels A

2012-12-14

We find a realization of linear electroelasticity theory in gravitational physics by uncovering a new response coefficient of charged black branes, exhibiting their piezoelectric behavior. Taking charged dilatonic black strings as an example and using the blackfold approach we measure their elastic and piezolectric moduli. We also use our results to draw predictions about the equilibrium condition of charged dilatonic black rings in dimensions higher than six.

Properties of aircraft tire materials

NASA Technical Reports Server (NTRS)

Dodge, Richard N.; Clark, Samuel K.

1988-01-01

A summary is presented of measured elastomeric composite response suitable for linear structural and thermoelastic analysis in aircraft tires. Both real and loss properties are presented for a variety of operating conditions including the effects of temperature and frequency. Suitable micro-mechanics models are used for predictions of these properties for other material combinations and the applicability of laminate theory is discussed relative to measured values.

Building out a Measurement Model to Incorporate Complexities of Testing in the Language Domain

ERIC Educational Resources Information Center

Wilson, Mark; Moore, Stephen

2011-01-01

This paper provides a summary of a novel and integrated way to think about the item response models (most often used in measurement applications in social science areas such as psychology, education, and especially testing of various kinds) from the viewpoint of the statistical theory of generalized linear and nonlinear mixed models. In addition,…

3-D residual eddy current field characterisation: applied to diffusion weighted magnetic resonance imaging.

PubMed

O'Brien, Kieran; Daducci, Alessandro; Kickler, Nils; Lazeyras, Francois; Gruetter, Rolf; Feiweier, Thorsten; Krueger, Gunnar

2013-08-01

Clinical use of the Stejskal-Tanner diffusion weighted images is hampered by the geometric distortions that result from the large residual 3-D eddy current field induced. In this work, we aimed to predict, using linear response theory, the residual 3-D eddy current field required for geometric distortion correction based on phantom eddy current field measurements. The predicted 3-D eddy current field induced by the diffusion-weighting gradients was able to reduce the root mean square error of the residual eddy current field to ~1 Hz. The model's performance was tested on diffusion weighted images of four normal volunteers, following distortion correction, the quality of the Stejskal-Tanner diffusion-weighted images was found to have comparable quality to image registration based corrections (FSL) at low b-values. Unlike registration techniques the correction was not hindered by low SNR at high b-values, and results in improved image quality relative to FSL. Characterization of the 3-D eddy current field with linear response theory enables the prediction of the 3-D eddy current field required to correct eddy current induced geometric distortions for a wide range of clinical and high b-value protocols.

Use of digital control theory state space formalism for feedback at SLC

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

Himel, T.; Hendrickson, L.; Rouse, F.

The algorithms used in the database-driven SLC fast-feedback system are based on the state space formalism of digital control theory. These are implemented as a set of matrix equations which use a Kalman filter to estimate a vector of states from a vector of measurements, and then apply a gain matrix to determine the actuator settings from the state vector. The matrices used in the calculation are derived offline using Linear Quadratic Gaussian minimization. For a given noise spectrum, this procedure minimizes the rms of the states (e.g., the position or energy of the beam). The offline program also allowsmore » simulation of the loop's response to arbitrary inputs, and calculates its frequency response. 3 refs., 3 figs.« less

Macromolecular 'size' and 'hardness' drives structure in solvent-swollen blends of linear, cyclic, and star polymers.

PubMed

Gartner, Thomas E; Jayaraman, Arthi

2018-01-17

In this paper, we apply molecular simulation and liquid state theory to uncover the structure and thermodynamics of homopolymer blends of the same chemistry and varying chain architecture in the presence of explicit solvent species. We use hybrid Monte Carlo (MC)/molecular dynamics (MD) simulations in the Gibbs ensemble to study the swelling of ∼12 000 g mol -1 linear, cyclic, and 4-arm star polystyrene chains in toluene. Our simulations show that the macroscopic swelling response is indistinguishable between the various architectures and matches published experimental data for the solvent annealing of linear polystyrene by toluene vapor. We then use standard MD simulations in the NPT ensemble along with polymer reference interaction site model (PRISM) theory to calculate effective polymer-solvent and polymer-polymer Flory-Huggins interaction parameters (χ eff ) in these systems. As seen in the macroscopic swelling results, there are no significant differences in the polymer-solvent and polymer-polymer χ eff between the various architectures. Despite similar macroscopic swelling and effective interaction parameters between various architectures, the pair correlation function between chain centers-of-mass indicates stronger correlations between cyclic or star chains in the linear-cyclic blends and linear-star blends, compared to linear chain-linear chain correlations. Furthermore, we note striking similarities in the chain-level correlations and the radius of gyration of cyclic and 4-arm star architectures of identical molecular weight. Our results indicate that the cyclic and star chains are 'smaller' and 'harder' than their linear counterparts, and through comparison with MD simulations of blends of soft spheres with varying hardness and size we suggest that these macromolecular characteristics are the source of the stronger cyclic-cyclic and star-star correlations.

A general theory of linear cosmological perturbations: scalar-tensor and vector-tensor theories

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

Lagos, Macarena; Baker, Tessa; Ferreira, Pedro G.

We present a method for parametrizing linear cosmological perturbations of theories of gravity, around homogeneous and isotropic backgrounds. The method is sufficiently general and systematic that it can be applied to theories with any degrees of freedom (DoFs) and arbitrary gauge symmetries. In this paper, we focus on scalar-tensor and vector-tensor theories, invariant under linear coordinate transformations. In the case of scalar-tensor theories, we use our framework to recover the simple parametrizations of linearized Horndeski and ''Beyond Horndeski'' theories, and also find higher-derivative corrections. In the case of vector-tensor theories, we first construct the most general quadratic action for perturbationsmore » that leads to second-order equations of motion, which propagates two scalar DoFs. Then we specialize to the case in which the vector field is time-like (à la Einstein-Aether gravity), where the theory only propagates one scalar DoF. As a result, we identify the complete forms of the quadratic actions for perturbations, and the number of free parameters that need to be defined, to cosmologically characterize these two broad classes of theories.« less

Time-dependent density functional theory description of total photoabsorption cross sections

NASA Astrophysics Data System (ADS)

Tenorio, Bruno Nunes Cabral; Nascimento, Marco Antonio Chaer; Rocha, Alexandre Braga

2018-02-01

The time-dependent version of the density functional theory (TDDFT) has been used to calculate the total photoabsorption cross section of a number of molecules, namely, benzene, pyridine, furan, pyrrole, thiophene, phenol, naphthalene, and anthracene. The discrete electronic pseudo-spectra, obtained in a L2 basis set calculation were used in an analytic continuation procedure to obtain the photoabsorption cross sections. The ammonia molecule was chosen as a model system to compare the results obtained with TDDFT to those obtained with the linear response coupled cluster approach in order to make a link with our previous work and establish benchmarks.

Serenity: A subsystem quantum chemistry program.

PubMed

Unsleber, Jan P; Dresselhaus, Thomas; Klahr, Kevin; Schnieders, David; Böckers, Michael; Barton, Dennis; Neugebauer, Johannes

2018-05-15

We present the new quantum chemistry program Serenity. It implements a wide variety of functionalities with a focus on subsystem methodology. The modular code structure in combination with publicly available external tools and particular design concepts ensures extensibility and robustness with a focus on the needs of a subsystem program. Several important features of the program are exemplified with sample calculations with subsystem density-functional theory, potential reconstruction techniques, a projection-based embedding approach and combinations thereof with geometry optimization, semi-numerical frequency calculations and linear-response time-dependent density-functional theory. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Nonlocal modification and quantum optical generalization of effective-medium theory for metamaterials

NASA Astrophysics Data System (ADS)

Wubs, Martijn; Yan, Wei; Amooghorban, Ehsan; Mortensen, N. Asger

2013-09-01

A well-known challenge for fabricating metamaterials is to make unit cells significantly smaller than the operating wavelength of light, so one can be sure that effective-medium theories apply. But do they apply? Here we show that nonlocal response in the metal constituents of the metamaterial leads to modified effective parameters for strongly subwavelength unit cells. For infinite hyperbolic metamaterials, nonlocal response gives a very large finite upper bound to the optical density of states that otherwise would diverge. Moreover, for finite hyperbolic metamaterials we show that nonlocal response affects their operation as superlenses, and interestingly that sometimes nonlocal theory predicts the better imaging. Finally, we discuss how to describe metamaterials effectively in quantum optics. Media with loss or gain have associated quantum noise, and the question is whether the effective index is enough to describe this quantum noise effectively. We show that this is true for passive metamaterials, but not for metamaterials where loss is compensated by linear gain. For such loss-compensated metamaterials we present a quantum optical effective medium theory with an effective noise photon distribution as an additional parameter. Interestingly, we find that at the operating frequency, metamaterials with the same effective index but with different amounts of loss compensation can be told apart in quantum optics.

An enstrophy-based linear and nonlinear receptivity theory

NASA Astrophysics Data System (ADS)

Sengupta, Aditi; Suman, V. K.; Sengupta, Tapan K.; Bhaumik, Swagata

2018-05-01

In the present research, a new theory of instability based on enstrophy is presented for incompressible flows. Explaining instability through enstrophy is counter-intuitive, as it has been usually associated with dissipation for the Navier-Stokes equation (NSE). This developed theory is valid for both linear and nonlinear stages of disturbance growth. A previously developed nonlinear theory of incompressible flow instability based on total mechanical energy described in the work of Sengupta et al. ["Vortex-induced instability of an incompressible wall-bounded shear layer," J. Fluid Mech. 493, 277-286 (2003)] is used to compare with the present enstrophy based theory. The developed equations for disturbance enstrophy and disturbance mechanical energy are derived from NSE without any simplifying assumptions, as compared to other classical linear/nonlinear theories. The theory is tested for bypass transition caused by free stream convecting vortex over a zero pressure gradient boundary layer. We explain the creation of smaller scales in the flow by a cascade of enstrophy, which creates rotationality, in general inhomogeneous flows. Linear and nonlinear versions of the theory help explain the vortex-induced instability problem under consideration.

Comparison of Linear Induction Motor Theories for the LIMRV and TLRV Motors

DOT National Transportation Integrated Search

1978-01-01

The Oberretl, Yamamura, and Mosebach theories of the linear induction motor are described and also applied to predict performance characteristics of the TLRV & LIMRV linear induction motors. The effect of finite motor width and length on performance ...

Categorization and identification of simultaneous targets.

PubMed

Theeuwes, J

1991-02-01

Early and late selection theories of visual attention disagree about whether identification occurs before or after selection. Studies showing the category effect, i.e., the time to detect a letter is hardly affected by the number of digits present in the display, are taken as evidence for late selection theories since these studies suggest parallel identification of all items in the display. As an extension of previous studies, in the present study two categorically different targets were presented simultaneously among a variable number of nontargets. Subjects were shown brief displays of two target letters among either 2, 4 or 6 nontarget digits. Subjects responded 'same' when the two letters were identical and 'different' otherwise. Since the 'same-different' response reflects the combined outcome of the simultaneous targets, late-selection theory predicts that the time to match the target letters is independent of the number of nontarget digits. Alternatively, early-selection theory predicts a linear increase of reaction time with display size since the presence of more than one target disrupts parallel preattentive processing, leading to a serial search through all items in the display. The results provide evidence for the early-selection view since reaction time increased linearly with the number of categorically different nontargets. A control experiment revealed that none of the alternative explanations could account for the display size effect.

Modern control techniques in active flutter suppression using a control moment gyro

NASA Technical Reports Server (NTRS)

Buchek, P. M.

1974-01-01

Development of organized synthesis techniques, using concepts of modern control theory was studied for the design of active flutter suppression systems for two and three-dimensional lifting surfaces, utilizing a control moment gyro (CMG) to generate the required control torques. Incompressible flow theory is assumed, with the unsteady aerodynamic forces and moments for arbitrary airfoil motion obtained by using the convolution integral based on Wagner's indicial lift function. Linear optimal control theory is applied to find particular optimal sets of gain values which minimize a quadratic performance function. The closed loop system's response to impulsive gust disturbances and the resulting control power requirements are investigated, and the system eigenvalues necessary to minimize the maximum value of control power are determined.

Symmetry limit theory for cantilever beam-columns subjected to cyclic reversed bending

NASA Astrophysics Data System (ADS)

Uetani, K.; Nakamura, Tsuneyoshi

THE BEHAVIOR of a linear strain-hardening cantilever beam-column subjected to completely reversed plastic bending of a new idealized program under constant axial compression consists of three stages: a sequence of symmetric steady states, a subsequent sequence of asymmetric steady states and a divergent behavior involving unbounded growth of an anti-symmetric deflection mode. A new concept "symmetry limit" is introduced here as the smallest critical value of the tip-deflection amplitude at which transition from a symmetric steady state to an asymmetric steady state can occur in the response of a beam-column. A new theory is presented for predicting the symmetry limits. Although this transition phenomenon is phenomenologically and conceptually different from the branching phenomenon on an equilibrium path, it is shown that a symmetry limit may theoretically be regarded as a branching point on a "steady-state path" defined anew. The symmetry limit theory and the fundamental hypotheses are verified through numerical analysis of hysteretic responses of discretized beam-column models.

Pressure fluctuations and time scales in turbulent channel flow

NASA Astrophysics Data System (ADS)

Septham, Kamthon; Morrison, Jonathan; Diwan, Sourabh

2015-11-01

Pressure fluctuations in turbulent channel flow subjected to globally stabilising linear feedback control are investigated at Reτ = 400 . The passivity-based control is adopted and explained by the conservative characteristics of the nonlinear terms contributing to the Reynolds-Orr equation (Sharma et al. Phys. Fluids 2011). The linear control operates via vU' ; the maximum forcing is located at y+ ~ 20 , corresponding to the location of the maximum in the mean-square pressure gradient. The responses of the rapid (linear) and slow (nonlinear) pressure fluctuations to the linear control are investigated using the Green's function representations. It demonstrates that the linear control operates via the linear source terms of the Poisson equation for pressure fluctuations. Landahl's timescales of the minimal flow unit (MFU) in turbulent channel flow are examined at y+ = 20 . It shows that the timescales of MFU agree well with the theoretical values proposed by Landahl (1993). Therefore, the effectiveness of the linear control to attenuate wall turbulence is explained by Landahl's theory for timescales, in that the control proceeds via the shear interaction timescale which is significantly shorter than both the nonlinear and viscous timescales.

Linear response of entanglement entropy from holography

NASA Astrophysics Data System (ADS)

Lokhande, Sagar F.; Oling, Gerben W. J.; Pedraza, Juan F.

2017-10-01

For time-independent excited states in conformal field theories, the entanglement entropy of small subsystems satisfies a `first law'-like relation, in which the change in entanglement is proportional to the energy within the entangling region. Such a law holds for time-dependent scenarios as long as the state is perturbatively close to the vacuum, but is not expected otherwise. In this paper we use holography to investigate the spread of entanglement entropy for unitary evolutions of special physical interest, the so-called global quenches. We model these using AdS-Vaidya geometries. We find that the first law of entanglement is replaced by a linear response relation, in which the energy density takes the role of the source and is integrated against a time-dependent kernel with compact support. For adiabatic quenches the standard first law is recovered, while for rapid quenches the linear response includes an extra term that encodes the process of thermalization. This extra term has properties that resemble a time-dependent `relative entropy'. We propose that this quantity serves as a useful order parameter to characterize far-from-equilibrium excited states. We illustrate our findings with concrete examples, including generic power-law and periodically driven quenches.

Physics must join with biology in better assessing risk from low-dose irradiation.

PubMed

Feinendegen, L E; Neumann, R D

2005-01-01

This review summarises the complex response of mammalian cells and tissues to low doses of ionising radiation. This thesis encompasses induction of DNA damage, and adaptive protection against both renewed damage and against propagation of damage from the basic level of biological organisation to the clinical expression of detriment. The induction of DNA damage at low radiation doses apparently is proportional to absorbed dose at the physical/chemical level. However, any propagation of such damage to higher levels of biological organisation inherently follows a sigmoid function. Moreover, low-dose-induced inhibition of damage propagation is not linear, but instead follows a dose-effect function typical for adaptive protection, after an initial rapid rise it disappears at doses higher than approximately 0.1-0.2 Gy to cells. The particular biological response duality at low radiation doses precludes the validity of the linear-no-threshold hypothesis in the attempt to relate absorbed dose to cancer. In fact, theory and observation support not only a lower cancer incidence than expected from the linear-no-threshold hypothesis, but also a reduction of spontaneously occurring cancer, a hormetic response, in the healthy individual.

Influence of Material Distribution on Impact Resistance of Hybrid Composites

NASA Technical Reports Server (NTRS)

Abatan, Ayu; Hu, Hurang

1998-01-01

Impact events occur in a wide variety of circumstances. A typical example is a bullet impacting a target made of composite material. These impact events produce time-varying loads on a structure that can result in damage. As a first step to understanding the damage resistance issue in composite laminates, an accurate prediction of the transient response during an impact event is necessary. The analysis of dynamic loadings on laminated composite plates has undergone considerable development recently. Rayleigh-Ritz energy method was used to determine the impact response of laminated plates. The impact response of composite plates using shear deformation plate theory was analyzed. In recent work a closed-form solution was obtained for a rectangular plate with four edges simply supported subjected to a center impact load using classical plate theory. The problem was further investigated and the analysis results compared of both classical plate theory and shear deformation theory, and found that classical plate theory predicts very accurate results for the range of small deformations considered. In this study, the influence of cross sectional material distribution on the comparative impact responses of hybrid metal laminates subjected to low and medium velocity impacts is investigated. A simple linear model to evaluate the magnitude of the impact load is proposed first, and it establishes a relation between the impact velocity and the impact force. Then a closed-form solution for impact problem is presented. The results were compared with the finite element analysis results. For an 11 layer-hybrid laminate, the impact response as a function of material distribution in cross-section is presented. With equal areal weight, the effect of the number of laminate layers on the impact resistance is also investigated. Finally, the significance of the presented results is discussed.

Molecular Dynamics of Dense Fluids: Simulation-Theory Symbiosis

NASA Astrophysics Data System (ADS)

Yip, Sidney

35 years ago Berni J. Alder showed the Boltzmann-Enskog kinetic theory failed to adequately account for the viscosity of fluids near solid density as determined by molecular dynamics simulation. This work, along with other notable simulation findings, provided great stimulus to the statistical mechanical studies of transport phenomena, particularly in dealing with collective effects in the time correlation functions of liquids. An extended theoretical challenge that remains partially resolved at best is the shear viscosity of supercooled liquids. How can one give a unified explanation of the so-called fragile and strong characteristic temperature behavior, with implications for the dynamics of glass transition? In this tribute on the occasion of his 90th birthday symposium, we recount a recent study where simulation, combined with heuristic (transition-state) and first principles (linear response) theories, identifies the molecular mechanisms governing glassy-state relaxation. Such an interplay between simulation and theory is progress from the early days; instead of simulation challenging theory, now simulation and theory complement each other.

Dynamic Structure Factor: An Introduction

NASA Astrophysics Data System (ADS)

Sturm, K.

1993-02-01

The doubly differential cross-section for weak inelastic scattering of waves or particles by manybody systems is derived in Born approximation and expressed in terms of the dynamic structure factor according to van Hove. The application of this very general scheme to scattering of neutrons, x-rays and high-energy electrons is discussed briefly. The dynamic structure factor, which is the space and time Fourier transform of the density-density correlation function, is a property of the many-body system independent of the external probe and carries information on the excitation spectrum of the system. The relation of the electronic structure factor to the density-density response function defined in linear-response theory is shown using the fluctuation-dissipation theorem. This is important for calculations, since the response function can be calculated approximately from the independent-particle response function in self-consistent field approximations, such as the random-phase approximation or the local-density approximation of the density functional theory. Since the density-density response function also determines the dielectric function, the dynamic structure can be expressed by the dielectric function.

How does non-linear dynamics affect the baryon acoustic oscillation?

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

Sugiyama, Naonori S.; Spergel, David N., E-mail: nao.s.sugiyama@gmail.com, E-mail: dns@astro.princeton.edu

2014-02-01

We study the non-linear behavior of the baryon acoustic oscillation in the power spectrum and the correlation function by decomposing the dark matter perturbations into the short- and long-wavelength modes. The evolution of the dark matter fluctuations can be described as a global coordinate transformation caused by the long-wavelength displacement vector acting on short-wavelength matter perturbation undergoing non-linear growth. Using this feature, we investigate the well known cancellation of the high-k solutions in the standard perturbation theory. While the standard perturbation theory naturally satisfies the cancellation of the high-k solutions, some of the recently proposed improved perturbation theories do notmore » guarantee the cancellation. We show that this cancellation clarifies the success of the standard perturbation theory at the 2-loop order in describing the amplitude of the non-linear power spectrum even at high-k regions. We propose an extension of the standard 2-loop level perturbation theory model of the non-linear power spectrum that more accurately models the non-linear evolution of the baryon acoustic oscillation than the standard perturbation theory. The model consists of simple and intuitive parts: the non-linear evolution of the smoothed power spectrum without the baryon acoustic oscillations and the non-linear evolution of the baryon acoustic oscillations due to the large-scale velocity of dark matter and due to the gravitational attraction between dark matter particles. Our extended model predicts the smoothing parameter of the baryon acoustic oscillation peak at z = 0.35 as ∼ 7.7Mpc/h and describes the small non-linear shift in the peak position due to the galaxy random motions.« less

Analysis of laminated plates under thermal environment

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

Iyenger, N.G.R.; Shankara, C.A.

1995-12-31

Use of composites in advanced aircrafts and spacecraft structures calls for a thorough understanding of their behaviour under various types of loads. In the present paper, an attempt has been made to study the effect of thermal loads on the flexural response of composite laminated plates. Most of the studies in this area are either based on Classical Lamination Theory or First Order Shear Deformation Theory. In the present investigation, analysis has been carried out using a Higher Order Shear Deformation Theory, that allows for a parabolic variation of transverse shear stress through the thickness. The displacement model presented bymore » Reddy has been transformed so that only C{degrees} continuous element is required. This, however, increases the Degree of freedom per node from 5 to 7. Nine-noded isoparametric Legrangian elements are used for computing the results. The results were found to be very stable and comparable with those of exact elasticity solutions. The temperature is assumed to remain constant or vary linearly through the thickness. However, it varies sinusoidally in the plane of the plate. Effect of various parameters like material, fiber orientation, number of layers and boundary conditions on the response of the laminate has been investigated. The present study indicates that the flexural behaviour of laminates under thermal loads is very much different from that when subjected only to mechanical loads. Further, the variation of plate deflection with increase in temperature is not linear.« less

Refinement of Timoshenko Beam Theory for Composite and Sandwich Beams Using Zigzag Kinematics

NASA Technical Reports Server (NTRS)

Tessler, Alexander; DiSciuva, Marco; Gherlone, Marco

2007-01-01

A new refined theory for laminated-composite and sandwich beams that contains the kinematics of the Timoshenko Beam Theory as a proper baseline subset is presented. This variationally consistent theory is derived from the virtual work principle and employs a novel piecewise linear zigzag function that provides a more realistic representation of the deformation states of transverse shear flexible beams than other similar theories. This new zigzag function is unique in that it vanishes at the top and bottom bounding surfaces of a beam. The formulation does not enforce continuity of the transverse shear stress across the beam s cross-section, yet is robust. Two major shortcomings that are inherent in the previous zigzag theories, shear-force inconsistency and difficulties in simulating clamped boundary conditions, and that have greatly limited the utility of these previous theories are discussed in detail. An approach that has successfully resolved these shortcomings is presented herein. This new theory can be readily extended to plate and shell structures, and should be useful for obtaining accurate estimates of structural response of laminated composites.

Robust stability of linear systems: Some computational considerations

NASA Technical Reports Server (NTRS)

Laub, A. J.

1979-01-01

The cases of both additive and multiplicative perturbations were discussed and a number of relationships between the two cases were given. A number of computational aspects of the theory were also discussed, including a proposed new method for evaluating general transfer or frequency response matrices. The new method is numerically stable and efficient, requiring only operations to update for new values of the frequency parameter.

Research in Applied Mathematics Related to Mathematical System Theory.

DTIC Science & Technology

1977-06-01

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

Large-Scale Linear Optimization through Machine Learning: From Theory to Practical System Design and Implementation

DTIC Science & Technology

2016-08-10

AFRL-AFOSR-JP-TR-2016-0073 Large-scale Linear Optimization through Machine Learning: From Theory to Practical System Design and Implementation ...2016 4.  TITLE AND SUBTITLE Large-scale Linear Optimization through Machine Learning: From Theory to Practical System Design and Implementation 5a...performances on various machine learning tasks and it naturally lends itself to fast parallel implementations . Despite this, very little work has been

A reciprocal theorem for a mixture theory. [development of linearized theory of interacting media

NASA Technical Reports Server (NTRS)

Martin, C. J.; Lee, Y. M.

1972-01-01

A dynamic reciprocal theorem for a linearized theory of interacting media is developed. The constituents of the mixture are a linear elastic solid and a linearly viscous fluid. In addition to Steel's field equations, boundary conditions and inequalities on the material constants that have been shown by Atkin, Chadwick and Steel to be sufficient to guarantee uniqueness of solution to initial-boundary value problems are used. The elements of the theory are given and two different boundary value problems are considered. The reciprocal theorem is derived with the aid of the Laplace transform and the divergence theorem and this section is concluded with a discussion of the special cases which arise when one of the constituents of the mixture is absent.

Study on longitudinal dispersion relation in one-dimensional relativistic plasma: Linear theory and Vlasov simulation

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

Zhang, H.; Wu, S. Z.; Zhou, C. T.

2013-09-15

The dispersion relation of one-dimensional longitudinal plasma waves in relativistic homogeneous plasmas is investigated with both linear theory and Vlasov simulation in this paper. From the Vlasov-Poisson equations, the linear dispersion relation is derived for the proper one-dimensional Jüttner distribution. Numerically obtained linear dispersion relation as well as an approximate formula for plasma wave frequency in the long wavelength limit is given. The dispersion of longitudinal wave is also simulated with a relativistic Vlasov code. The real and imaginary parts of dispersion relation are well studied by varying wave number and plasma temperature. Simulation results are in agreement with establishedmore » linear theory.« less

Unsymmetric Lanczos model reduction and linear state function observer for flexible structures

NASA Technical Reports Server (NTRS)

Su, Tzu-Jeng; Craig, Roy R., Jr.

1991-01-01

This report summarizes part of the research work accomplished during the second year of a two-year grant. The research, entitled 'Application of Lanczos Vectors to Control Design of Flexible Structures' concerns various ways to use Lanczos vectors and Krylov vectors to obtain reduced-order mathematical models for use in the dynamic response analyses and in control design studies. This report presents a one-sided, unsymmetric block Lanczos algorithm for model reduction of structural dynamics systems with unsymmetric damping matrix, and a control design procedure based on the theory of linear state function observers to design low-order controllers for flexible structures.

Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

DOE PAGES

Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.; ...

2017-07-26

Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for models of electrolyte solution. In this paper, we provide definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation and isolate the effects of charge and cavitation, comparing tomore » the Born (linear response) model. We show that using uncorrected Ewald summation leads to unphysical values for the single ion solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. Finally, this suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.« less

Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

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

Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.

Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for models of electrolyte solution. In this paper, we provide definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation and isolate the effects of charge and cavitation, comparing tomore » the Born (linear response) model. We show that using uncorrected Ewald summation leads to unphysical values for the single ion solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. Finally, this suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.« less

Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

NASA Astrophysics Data System (ADS)

Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.; Mundy, Chistopher J.

2017-10-01

Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for models of electrolyte solution. Here, we provide definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to unphysical values for the single ion solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.

Analysis of multimode BDK doped POF gratings for temperature sensing

NASA Astrophysics Data System (ADS)

Luo, Yanhua; Wu, Wenxuan; Wang, Tongxin; Cheng, Xusheng; Zhang, Qijin; Peng, Gang-Ding; Zhu, Bing

2012-10-01

We report a temperature sensor based on a Bragg grating written in a benzil dimethyl ketal (BDK) doped multimode (MM) polymer optical fiber (POF) for the first time to our knowledge. The thermal response was further analyzed in view of theory and experiment. In theory, with the order of the reflected mode increasing from 1st to 60th order, for MM silica fiber Bragg grating (FBG) the temperature sensitivity will increase linearly from 16.2 pm/°C to 17.5 pm/°C, while for MM polymer FBG the temperature sensitivity (absolute value) will increase linearly from -79.5 pm/°C to -104.4 pm/°C. In addition, temperature sensitivity of MM polymer FBG exhibits almost 1 order larger mode order dependence than that of MM silica FBG. In experiment, the Bragg wavelength shift will decline linearly as the temperature rises, contrary to that of MM silica FBG. The temperature sensitivity of MM polymer FBG is ranged from -0.097 nm/°C to -0.111 nm/°C, more than 8 times that of MM silica FBG, showing great potential used as a temperature sensor.

Lie algebras and linear differential equations.

NASA Technical Reports Server (NTRS)

Brockett, R. W.; Rahimi, A.

1972-01-01

Certain symmetry properties possessed by the solutions of linear differential equations are examined. For this purpose, some basic ideas from the theory of finite dimensional linear systems are used together with the work of Wei and Norman on the use of Lie algebraic methods in differential equation theory.

Plasmon-induced nonlinear response of silver atomic chains.

PubMed

Yan, Lei; Guan, Mengxue; Meng, Sheng

2018-05-10

Nonlinear response of a linear silver atomic chain upon ultrafast laser excitation has been studied in real time using the time-dependent density functional theory. We observe the presence of nonlinear responses up to the fifth order in tunneling current, which is ascribed to the excitation of high-energy electrons generated by Landau damping of plasmons. The nonlinear effect is enhanced after adsorption of polar molecules such as water due to the enhanced damping rates during plasmon decay. Increasing the length of atomic chains also increases the nonlinear response, favoring higher-order plasmon excitation. These findings offer new insights towards a complete understanding and ultimate control of plasmon-induced nonlinear phenomena to atomic precision.

Thermal response of a Fermi-Pasta-Ulam chain with Andersen thermostats

NASA Astrophysics Data System (ADS)

D'Ambrosio, Federico; Baiesi, Marco

2017-11-01

The linear response to temperature variations is well characterised for equilibrium systems but a similar theory is not available, for example, for inertial heat conducting systems, whose paradigm is the Fermi-Pasta-Ulam (FPU) model driven by two different boundary temperatures. For models of inertial systems out of equilibrium, including relaxing systems, we show that Andersen thermostats are a natural tool for studying the thermal response. We derive a fluctuation-response relation that allows to predict thermal expansion coefficients or the heat capacitance in nonequilibrium regimes. Simulations of the FPU chain of oscillators suggest that estimates of susceptibilities obtained with our relation are better than those obtained via a small perturbation.

Optimal control theory (OWEM) applied to a helicopter in the hover and approach phase

NASA Technical Reports Server (NTRS)

Born, G. J.; Kai, T.

1975-01-01

A major difficulty in the practical application of linear-quadratic regulator theory is how to choose the weighting matrices in quadratic cost functions. The control system design with optimal weighting matrices was applied to a helicopter in the hover and approach phase. The weighting matrices were calculated to extremize the closed loop total system damping subject to constraints on the determinants. The extremization is really a minimization of the effects of disturbances, and interpreted as a compromise between the generalized system accuracy and the generalized system response speed. The trade-off between the accuracy and the response speed is adjusted by a single parameter, the ratio of determinants. By this approach an objective measure can be obtained for the design of a control system. The measure is to be determined by the system requirements.

Water confined in carbon nanotubes: Magnetic response and proton chemical shieldings

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

Huang, P; Schwegler, E; Galli, G

2008-11-14

We study the proton nuclear magnetic resonance ({sup 1}H-NMR) of a model system consisting of liquid water in infinite carbon nanotubes (CNT). Chemical shieldings are evaluated from linear response theory, where the electronic structure is derived from density functional theory (DFT) with plane-wave basis sets and periodic boundary conditions. The shieldings are sampled from trajectories generated via first-principles molecular dynamics simulations at ambient conditions, for water confined in (14,0) and (19,0) CNTs with diameters d = 11 {angstrom} and 14.9 {angstrom}, respectively. We find that confinement within the CNT leads to a large ({approx} -23 ppm) upfield shift relative tomore » bulk liquid water. This shift is a consequence of strongly anisotropic magnetic fields induced in the CNT by an applied magnetic field.« less

Acousto-exciton interaction in a gas of 2D indirect dipolar excitons in the presence of disorder

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

Kovalev, V. M.; Chaplik, A. V., E-mail: chaplik@isp.nsc.ru

2016-03-15

A theory for the linear and quadratic responses of a 2D gas of indirect dipolar excitons to an external surface acoustic wave perturbation in the presence of a static random potential is considered. The theory is constructed both for high temperatures, definitely greater than the exciton gas condensation temperature, and at zero temperature by taking into account the Bose–Einstein condensation effects. The particle Green functions, the density–density correlation function, and the quadratic response function are calculated by the “cross” diagram technique. The results obtained are used to calculate the absorption of Rayleigh surface waves and the acoustic exciton gas dragmore » by a Rayleigh wave. The damping of Bogoliubov excitations in an exciton condensate due to theirs scattering by a random potential has also been determined.« less

Orientation selectivity in inhibition-dominated networks of spiking neurons: effect of single neuron properties and network dynamics.

PubMed

Sadeh, Sadra; Rotter, Stefan

2015-01-01

The neuronal mechanisms underlying the emergence of orientation selectivity in the primary visual cortex of mammals are still elusive. In rodents, visual neurons show highly selective responses to oriented stimuli, but neighboring neurons do not necessarily have similar preferences. Instead of a smooth map, one observes a salt-and-pepper organization of orientation selectivity. Modeling studies have recently confirmed that balanced random networks are indeed capable of amplifying weakly tuned inputs and generating highly selective output responses, even in absence of feature-selective recurrent connectivity. Here we seek to elucidate the neuronal mechanisms underlying this phenomenon by resorting to networks of integrate-and-fire neurons, which are amenable to analytic treatment. Specifically, in networks of perfect integrate-and-fire neurons, we observe that highly selective and contrast invariant output responses emerge, very similar to networks of leaky integrate-and-fire neurons. We then demonstrate that a theory based on mean firing rates and the detailed network topology predicts the output responses, and explains the mechanisms underlying the suppression of the common-mode, amplification of modulation, and contrast invariance. Increasing inhibition dominance in our networks makes the rectifying nonlinearity more prominent, which in turn adds some distortions to the otherwise essentially linear prediction. An extension of the linear theory can account for all the distortions, enabling us to compute the exact shape of every individual tuning curve in our networks. We show that this simple form of nonlinearity adds two important properties to orientation selectivity in the network, namely sharpening of tuning curves and extra suppression of the modulation. The theory can be further extended to account for the nonlinearity of the leaky model by replacing the rectifier by the appropriate smooth input-output transfer function. These results are robust and do not depend on the state of network dynamics, and hold equally well for mean-driven and fluctuation-driven regimes of activity.

Orientation Selectivity in Inhibition-Dominated Networks of Spiking Neurons: Effect of Single Neuron Properties and Network Dynamics

PubMed Central

Sadeh, Sadra; Rotter, Stefan

2015-01-01

The neuronal mechanisms underlying the emergence of orientation selectivity in the primary visual cortex of mammals are still elusive. In rodents, visual neurons show highly selective responses to oriented stimuli, but neighboring neurons do not necessarily have similar preferences. Instead of a smooth map, one observes a salt-and-pepper organization of orientation selectivity. Modeling studies have recently confirmed that balanced random networks are indeed capable of amplifying weakly tuned inputs and generating highly selective output responses, even in absence of feature-selective recurrent connectivity. Here we seek to elucidate the neuronal mechanisms underlying this phenomenon by resorting to networks of integrate-and-fire neurons, which are amenable to analytic treatment. Specifically, in networks of perfect integrate-and-fire neurons, we observe that highly selective and contrast invariant output responses emerge, very similar to networks of leaky integrate-and-fire neurons. We then demonstrate that a theory based on mean firing rates and the detailed network topology predicts the output responses, and explains the mechanisms underlying the suppression of the common-mode, amplification of modulation, and contrast invariance. Increasing inhibition dominance in our networks makes the rectifying nonlinearity more prominent, which in turn adds some distortions to the otherwise essentially linear prediction. An extension of the linear theory can account for all the distortions, enabling us to compute the exact shape of every individual tuning curve in our networks. We show that this simple form of nonlinearity adds two important properties to orientation selectivity in the network, namely sharpening of tuning curves and extra suppression of the modulation. The theory can be further extended to account for the nonlinearity of the leaky model by replacing the rectifier by the appropriate smooth input-output transfer function. These results are robust and do not depend on the state of network dynamics, and hold equally well for mean-driven and fluctuation-driven regimes of activity. PMID:25569445

Reduced basis technique for evaluating the sensitivity coefficients of the nonlinear tire response

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Tanner, John A.; Peters, Jeanne M.

1992-01-01

An efficient reduced-basis technique is proposed for calculating the sensitivity of nonlinear tire response to variations in the design variables. The tire is modeled using a 2-D, moderate rotation, laminated anisotropic shell theory, including the effects of variation in material and geometric parameters. The vector of structural response and its first-order and second-order sensitivity coefficients are each expressed as a linear combination of a small number of basis vectors. The effectiveness of the basis vectors used in approximating the sensitivity coefficients is demonstrated by a numerical example involving the Space Shuttle nose-gear tire, which is subjected to uniform inflation pressure.

Stochastic optimal control of non-stationary response of a single-degree-of-freedom vehicle model

NASA Astrophysics Data System (ADS)

Narayanan, S.; Raju, G. V.

1990-09-01

An active suspension system to control the non-stationary response of a single-degree-of-freedom (sdf) vehicle model with variable velocity traverse over a rough road is investigated. The suspension is optimized with respect to ride comfort and road holding, using stochastic optimal control theory. The ground excitation is modelled as a spatial homogeneous random process, being the output of a linear shaping filter to white noise. The effect of the rolling contact of the tyre is considered by an additional filter in cascade. The non-stationary response with active suspension is compared with that of a passive system.

ELM control with RMP: plasma response models and the role of edge peeling response

NASA Astrophysics Data System (ADS)

Liu, Yueqiang; Ham, C. J.; Kirk, A.; Li, Li; Loarte, A.; Ryan, D. A.; Sun, Youwen; Suttrop, W.; Yang, Xu; Zhou, Lina

2016-11-01

Resonant magnetic perturbations (RMP) have extensively been demonstrated as a plausible technique for mitigating or suppressing large edge localized modes (ELMs). Associated with this is a substantial amount of theory and modelling efforts during recent years. Various models describing the plasma response to the RMP fields have been proposed in the literature, and are briefly reviewed in this work. Despite their simplicity, linear response models can provide alternative criteria, than the vacuum field based criteria, for guiding the choice of the coil configurations to achieve the best control of ELMs. The role of the edge peeling response to the RMP fields is illustrated as a key indicator for the ELM mitigation in low collisionality plasmas, in various tokamak devices.

Basic Research in the Mathematical Foundations of Stability Theory, Control Theory and Numerical Linear Algebra.

DTIC Science & Technology

1979-09-01

without determinantal divisors, Linear and Multilinear Algebra 7(1979), 107-109. 4. The use of integral operators in number theory (with C. Ryavec and...Gersgorin revisited, to appear in Letters in Linear Algebra. 15. A surprising determinantal inequality for real matrices (with C.R. Johnson), to appear in...Analysis: An Essay Concerning the Limitations of Some Mathematical Methods in the Social , Political and Biological Sciences, David Berlinski, MIT Press

On the importance of excited state dynamic response electron correlation in polarizable embedding methods.

PubMed

Eriksen, Janus J; Sauer, Stephan P A; Mikkelsen, Kurt V; Jensen, Hans J Aa; Kongsted, Jacob

2012-09-30

We investigate the effect of including a dynamic reaction field at the lowest possible ab inito wave function level of theory, namely the Hartree-Fock (HF) self-consistent field level within the polarizable embedding (PE) formalism. We formulate HF based PE within the linear response theory picture leading to the PE-random-phase approximation (PE-RPA) and bridge the expressions to a second-order polarization propagator approximation (SOPPA) frame such that dynamic reaction field contributions are included at the RPA level in addition to the static response described at the SOPPA level but with HF induced dipole moments. We conduct calculations on para-nitro-aniline and para-nitro-phenolate using said model in addition to dynamic PE-RPA and PE-CAM-B3LYP. We compare the results to recently published PE-CCSD data and demonstrate how the cost effective SOPPA-based model successfully recovers a great portion of the inherent PE-RPA error when the observable is the solvatochromic shift. We furthermore demonstrate that whenever the change in density resulting from the ground state-excited state electronic transition in the solute is not associated with a significant change in the electric field, dynamic response contributions formulated at the HF level of theory manage to capture the majority of the system response originating from derivative densities. Copyright © 2012 Wiley Periodicals, Inc.

Multi-objective optimal control of vibratory energy harvesting systems

NASA Astrophysics Data System (ADS)

Scruggs, J. T.

2008-03-01

This paper presents a new approach, based on H II optimal control theory, for the maximization of power generation in energy harvesting systems. The theory determines the optimal harvested power attainable through the use of power electronics to effect linear feedback control of transducer current. In contrast to most of the prior work in this area, which has assumed harmonic response, the theory proposed here applies to stochastically-excited systems in broadband response, and can be used to harvest power simultaneously from multiple significant vibratory modes. It is also applicable to coupled networks of many transducers. The theory accounts for the impact of energy harvesting on the dynamics of the vibrating system in which the transducers are embedded. It also accounts for resistive and semiconductor dissipation in the power-electronic network interfacing the transducers with energy storage. Thus, losses in the electronics are addressed in the formulation of the optimal control law. Finally, the H II-optimal control formulation of the problem naturally allows for harvested power to be systematically balanced against other response objectives. Here, this is illustrated by showing how the harvesting objective can be maximized, subject to the constraint that the transducer voltages be maintained below that of the power-electronic bus; a condition which is required for the power-electronic control system to be fully operational. Although the theory is applicable across a broad range of applications, it is presented in the context of a piezoelectric bimorph example.

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.

PubMed

Smith, Daniel G A; Burns, Lori A; Sirianni, Dominic A; Nascimento, Daniel R; Kumar, Ashutosh; James, Andrew M; Schriber, Jeffrey B; Zhang, Tianyuan; Zhang, Boyi; Abbott, Adam S; Berquist, Eric J; Lechner, Marvin H; Cunha, Leonardo A; Heide, Alexander G; Waldrop, Jonathan M; Takeshita, Tyler Y; Alenaizan, Asem; Neuhauser, Daniel; King, Rollin A; Simmonett, Andrew C; Turney, Justin M; Schaefer, Henry F; Evangelista, Francesco A; DePrince, A Eugene; Crawford, T Daniel; Patkowski, Konrad; Sherrill, C David

2018-06-11

Psi4NumPy demonstrates the use of efficient computational kernels from the open-source Psi4 program through the popular NumPy library for linear algebra in Python to facilitate the rapid development of clear, understandable Python computer code for new quantum chemical methods, while maintaining a relatively low execution time. Using these tools, reference implementations have been created for a number of methods, including self-consistent field (SCF), SCF response, many-body perturbation theory, coupled-cluster theory, configuration interaction, and symmetry-adapted perturbation theory. Furthermore, several reference codes have been integrated into Jupyter notebooks, allowing background, underlying theory, and formula information to be associated with the implementation. Psi4NumPy tools and associated reference implementations can lower the barrier for future development of quantum chemistry methods. These implementations also demonstrate the power of the hybrid C++/Python programming approach employed by the Psi4 program.

Ergodicity, Maximum Entropy Production, and Steepest Entropy Ascent in the Proofs of Onsager's Reciprocal Relations

NASA Astrophysics Data System (ADS)

Benfenati, Francesco; Beretta, Gian Paolo

2018-04-01

We show that to prove the Onsager relations using the microscopic time reversibility one necessarily has to make an ergodic hypothesis, or a hypothesis closely linked to that. This is true in all the proofs of the Onsager relations in the literature: from the original proof by Onsager, to more advanced proofs in the context of linear response theory and the theory of Markov processes, to the proof in the context of the kinetic theory of gases. The only three proofs that do not require any kind of ergodic hypothesis are based on additional hypotheses on the macroscopic evolution: Ziegler's maximum entropy production principle (MEPP), the principle of time reversal invariance of the entropy production, or the steepest entropy ascent principle (SEAP).

A Many-Body Formalism of ΔSCF Approach for Simulating X-Ray Spectra from First-Principles

NASA Astrophysics Data System (ADS)

Liang, Yufeng; Vinson, John; Pemmaraju, Sri; Drisdell, Walter; Shirley, Eric; Prendegast, David

Accurately reproducing X-ray spectral fingerprints for materials characterization relies heavily on how to correctly model the many-electron response to the generation of an X-ray core hole. In this talk, we present a novel first-principles theory for simulating X-ray spectra that is based on many-electron wavefunctions. The proposed theory go beyond the electron-hole correlations within the Bethe-Saltpeter Equation and consider higher-order vertex corrections up to the level of Mahan-Noziéres-De Dominicis (MND) theory. An efficient algorithm is invented to incorporate these many-electron processes by using linear algebra rather than iterating over all Feynman diag United States Department of Energy under Contact No. DE-AC02-05CH11231, No. DE-SC0004993.

Tight-binding approximations to time-dependent density functional theory — A fast approach for the calculation of electronically excited states

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

Rüger, Robert, E-mail: rueger@scm.com; Department of Theoretical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam; Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Linnéstr. 2, 04103 Leipzig

2016-05-14

We propose a new method of calculating electronically excited states that combines a density functional theory based ground state calculation with a linear response treatment that employs approximations used in the time-dependent density functional based tight binding (TD-DFTB) approach. The new method termed time-dependent density functional theory TD-DFT+TB does not rely on the DFTB parametrization and is therefore applicable to systems involving all combinations of elements. We show that the new method yields UV/Vis absorption spectra that are in excellent agreement with computationally much more expensive TD-DFT calculations. Errors in vertical excitation energies are reduced by a factor of twomore » compared to TD-DFTB.« less

Vibration responses of h-BN sheet to charge doping and external strain

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

Yang, Wei; Yang, Yu; Zheng, Fawei

2013-12-07

Based on density functional theory and density functional perturbation theory calculations, we systematically investigate the vibration responses of h-BN sheet to charge doping and external strains. It is found that under hole doping, the phonon frequencies of the ZO and TO branches at different wave vector q shift linearly with different slopes. Under electron doping, although the phonon frequencies shift irregularly, the shifting values are different at different phonon wave vectors. Interestingly, we find that external strain can restrain the irregular vibration responses of h-BN sheet to electron doping. The critical factor is revealed to be the relative position ofmore » the nearly free electron and boron p{sub z} states of h-BN sheet. Under external strains, the vibration responses of h-BN sheet are also found to be highly dependent on the phonon branches. Different vibration modes at different q points are revealed to be responsible for the vibration responses of h-BN sheet to charge doping and external strain. Our results point out a new way to detect the doping or strain status of h-BN sheet by measuring the vibration frequencies at different wave vector.« less

Ion strength limit of computed excess functions based on the linearized Poisson-Boltzmann equation.

PubMed

Fraenkel, Dan

2015-12-05

The linearized Poisson-Boltzmann (L-PB) equation is examined for its κ-range of validity (κ, Debye reciprocal length). This is done for the Debye-Hückel (DH) theory, i.e., using a single ion size, and for the SiS treatment (D. Fraenkel, Mol. Phys. 2010, 108, 1435), which extends the DH theory to the case of ion-size dissimilarity (therefore dubbed DH-SiS). The linearization of the PB equation has been claimed responsible for the DH theory's failure to fit with experiment at > 0.1 m; but DH-SiS fits with data of the mean ionic activity coefficient, γ± (molal), against m, even at m > 1 (κ > 0.33 Å(-1) ). The SiS expressions combine the overall extra-electrostatic potential energy of the smaller ion, as central ion-Ψa>b (κ), with that of the larger ion, as central ion-Ψb>a (κ); a and b are, respectively, the counterion and co-ion distances of closest approach. Ψa>b and Ψb>a are derived from the L-PB equation, which appears to conflict with their being effective up to moderate electrolyte concentrations (≈1 m). However, the L-PB equation can be valid up to κ ≥ 1.3 Å(-1) if one abandons the 1/κ criterion for its effectiveness and, instead, use, as criterion, the mean-field electrostatic interaction potential of the central ion with its ion cloud, at a radial distance dividing the cloud charge into two equal parts. The DH theory's failure is, thus, not because of using the L-PB equation; the lethal approximation is assigning a single size to the positive and negative ions. © 2015 Wiley Periodicals, Inc.

Self-consistent theory for the linear and nonlinear propagation of a sinusoidal electron plasma wave. Application to stimulated Raman scattering in a non-uniform and non-stationary plasma

NASA Astrophysics Data System (ADS)

Bénisti, Didier

2018-01-01

In this paper, we address the theoretical resolution of the Vlasov-Gauss system from the linear regime to the strongly nonlinear one, when significant trapping has occurred. The electric field is that of a sinusoidal electron plasma wave (EPW) which is assumed to grow from the noise level, and to keep growing at least up to the amplitude when linear theory in no longer valid (while the wave evolution in the nonlinear regime may be arbitrary). The ions are considered as a neutralizing fluid, while the electron response to the wave is derived by matching two different techniques. We make use of a perturbation analysis similar to that introduced to prove the Kolmogorov-Arnold-Moser theorem, up to amplitudes large enough for neo-adiabatic results to be valid. Our theory is applied to the growth and saturation of the beam-plasma instability, and to the three-dimensional propagation of a driven EPW in a non-uniform and non-stationary plasma. For the latter example, we lay a special emphasis on nonlinear collisionless dissipation. We provide an explicit theoretical expression for the nonlinear Landau-like damping rate which, in some instances, is amenable to a simple analytic formula. We also insist on the irreversible evolution of the electron distribution function, which is nonlocal in the wave amplitude and phase velocity. This makes trapping an effective means of dissipation for the electrostatic energy, and also makes the wave dispersion relation nonlocal. Our theory is generalized to allow for stimulated Raman scattering, which we address up to saturation by accounting for plasma inhomogeneity and non-stationarity, nonlinear kinetic effects, and interspeckle coupling.

A kinetic approach to some quasi-linear laws of macroeconomics

NASA Astrophysics Data System (ADS)

Gligor, M.; Ignat, M.

2002-11-01

Some previous works have presented the data on wealth and income distributions in developed countries and have found that the great majority of population is described by an exponential distribution, which results in idea that the kinetic approach could be adequate to describe this empirical evidence. The aim of our paper is to extend this framework by developing a systematic kinetic approach of the socio-economic systems and to explain how linear laws, modelling correlations between macroeconomic variables, may arise in this context. Firstly we construct the Boltzmann kinetic equation for an idealised system composed by many individuals (workers, officers, business men, etc.), each of them getting a certain income and spending money for their needs. To each individual a certain time variable amount of money is associated this meaning him/her phase space coordinate. In this way the exponential distribution of money in a closed economy is explicitly found. The extension of this result, including states near the equilibrium, give us the possibility to take into account the regular increase of the total amount of money, according to the modern economic theories. The Kubo-Green-Onsager linear response theory leads us to a set of linear equations between some macroeconomic variables. Finally, the validity of such laws is discussed in relation with the time reversal symmetry and is tested empirically using some macroeconomic time series.

On the calculation of charge transfer transitions with standard density functionals using constrained variational density functional theory.

PubMed

Ziegler, Tom; Krykunov, Mykhaylo

2010-08-21

It is well known that time-dependent density functional theory (TD-DFT) based on standard gradient corrected functionals affords both a quantitative and qualitative incorrect picture of charge transfer transitions between two spatially separated regions. It is shown here that the well known failure can be traced back to the use of linear response theory. Further, it is demonstrated that the inclusion of higher order terms readily affords a qualitatively correct picture even for simple functionals based on the local density approximation. The inclusion of these terms is done within the framework of a newly developed variational approach to excitation energies called constrained variational density functional theory (CV-DFT). To second order [CV(2)-DFT] this theory is identical to adiabatic TD-DFT within the Tamm-Dancoff approximation. With inclusion of fourth order corrections [CV(4)-DFT] it affords a qualitative correct description of charge transfer transitions. It is finally demonstrated that the relaxation of the ground state Kohn-Sham orbitals to first order in response to the change in density on excitation together with CV(4)-DFT affords charge transfer excitations in good agreement with experiment. The new relaxed theory is termed R-CV(4)-DFT. The relaxed scheme represents an effective way in which to introduce double replacements into the description of single electron excitations, something that would otherwise require a frequency dependent kernel.

Many-body perturbation theory and non-perturbative approaches: screened interaction as the key ingredient

NASA Astrophysics Data System (ADS)

Tarantino, Walter; Mendoza, Bernardo S.; Romaniello, Pina; Berger, J. A.; Reining, Lucia

2018-04-01

Many-body perturbation theory is often formulated in terms of an expansion in the dressed instead of the bare Green’s function, and in the screened instead of the bare Coulomb interaction. However, screening can be calculated on different levels of approximation, and it is important to define what is the most appropriate choice. We explore this question by studying a zero-dimensional model (so called ‘one-point model’) that retains the structure of the full equations. We study both linear and non-linear response approximations to the screening. We find that an expansion in terms of the screening in the random phase approximation is the most promising way for an application in real systems. Moreover, by making use of the nonperturbative features of the Kadanoff-Baym equation for the one-body Green’s function, we obtain an approximate solution in our model that is very promising, although its applicability to real systems has still to be explored.

Development of Curved-Plate Elements for the Exact Buckling Analysis of Composite Plate Assemblies Including Transverse-Shear Effects

NASA Technical Reports Server (NTRS)

McGowan, David M.

1999-01-01

The analytical formulation of curved-plate non-linear equilibrium equations including transverse-shear-deformation effects is presented. A unified set of non-linear strains that contains terms from both physical and tensorial strain measures is used. Linearized, perturbed equilibrium equations (stability equations) that describe the response of the plate just after buckling occurs are derived. These equations are then modified to allow the plate reference surface to be located a distance z(sub c) from the centroidal surface. The implementation of the new theory into the VICONOPT exact buckling and vibration analysis and optimum design computer program is described. The terms of the plate stiffness matrix using both classical plate theory (CPT) and first-order shear-deformation plate theory (SDPT) are presented. The effects of in-plane transverse and in-plane shear loads are included in the in-plane stability equations. Numerical results for several example problems with different loading states are presented. Comparisons of analyses using both physical and tensorial strain measures as well as CPT and SDPT are made. The computational effort required by the new analysis is compared to that of the analysis currently in the VICONOPT program. The effects of including terms related to in-plane transverse and in-plane shear loadings in the in-plane stability equations are also examined. Finally, results of a design-optimization study of two different cylindrical shells subject to uniform axial compression are presented.

Multiresolution quantum chemistry in multiwavelet bases: excited states from time-dependent Hartree–Fock and density functional theory via linear response

DOE PAGES

Yanai, Takeshi; Fann, George I.; Beylkin, Gregory; ...

2015-02-25

Using the fully numerical method for time-dependent Hartree–Fock and density functional theory (TD-HF/DFT) with the Tamm–Dancoff (TD) approximation we use a multiresolution analysis (MRA) approach to present our findings. From a reformulation with effective use of the density matrix operator, we obtain a general form of the HF/DFT linear response equation in the first quantization formalism. It can be readily rewritten as an integral equation with the bound-state Helmholtz (BSH) kernel for the Green's function. The MRA implementation of the resultant equation permits excited state calculations without virtual orbitals. Moreover, the integral equation is efficiently and adaptively solved using amore » numerical multiresolution solver with multiwavelet bases. Our implementation of the TD-HF/DFT methods is applied for calculating the excitation energies of H 2, Be, N 2, H 2O, and C 2H 4 molecules. The numerical errors of the calculated excitation energies converge in proportion to the residuals of the equation in the molecular orbitals and response functions. The energies of the excited states at a variety of length scales ranging from short-range valence excitations to long-range Rydberg-type ones are consistently accurate. It is shown that the multiresolution calculations yield the correct exponential asymptotic tails for the response functions, whereas those computed with Gaussian basis functions are too diffuse or decay too rapidly. Finally, we introduce a simple asymptotic correction to the local spin-density approximation (LSDA) so that in the TDDFT calculations, the excited states are correctly bound.« less

A Mixed Multi-Field Finite Element Formulation for Thermopiezoelectric Composite Shells

NASA Technical Reports Server (NTRS)

Lee, Ho-Jun; Saravanos, Dimitris A.

1999-01-01

Analytical formulations are presented which account for the coupled mechanical, electrical, and thermal response of piezoelectric composite shell structures. A new mixed multi-field laminate theory is developed which combines "single layer" assumptions for the displacements along with layerwise fields for the electric potential and temperature. This laminate theory is formulated using curvilinear coordinates and is based on the principles of linear thermopiezoelectricity. The mechanics have the inherent capability to explicitly model both the active and sensory responses of piezoelectric composite shells in thermal environment. Finite element equations are derived and implemented for an eight-noded shell element. Numerical studies are conducted to investigate both the sensory and active responses of piezoelectric composite shell structures subjected to thermal loads. Results for a cantilevered plate with an attached piezoelectric layer are com- pared with corresponding results from a commercial finite element code and a previously developed program. Additional studies are conducted on a cylindrical shell with an attached piezoelectric layer to demonstrate capabilities to achieve thermal shape control on curved piezoelectric structures.

The passage of an infinite swept airfoil through an oblique gust. [approximate solution for aerodynamic response

NASA Technical Reports Server (NTRS)

Adamczyk, J. L.

1974-01-01

An approximate solution is reported for the unsteady aerodynamic response of an infinite swept wing encountering a vertical oblique gust in a compressible stream. The approximate expressions are of closed form and do not require excessive computer storage or computation time, and further, they are in good agreement with the results of exact theory. This analysis is used to predict the unsteady aerodynamic response of a helicopter rotor blade encountering the trailing vortex from a previous blade. Significant effects of three dimensionality and compressibility are evident in the results obtained. In addition, an approximate solution for the unsteady aerodynamic forces associated with the pitching or plunging motion of a two dimensional airfoil in a subsonic stream is presented. The mathematical form of this solution approaches the incompressible solution as the Mach number vanishes, the linear transonic solution as the Mach number approaches one, and the solution predicted by piston theory as the reduced frequency becomes large.

Application of Hermitian time-dependent coupled-cluster response Ansätze of second order to excitation energies and frequency-dependent dipole polarizabilities

NASA Astrophysics Data System (ADS)

Wälz, Gero; Kats, Daniel; Usvyat, Denis; Korona, Tatiana; Schütz, Martin

2012-11-01

Linear-response methods, based on the time-dependent variational coupled-cluster or the unitary coupled-cluster model, and truncated at the second order according to the Møller-Plesset partitioning, i.e., the TD-VCC[2] and TD-UCC[2] linear-response methods, are presented and compared. For both of these methods a Hermitian eigenvalue problem has to be solved to obtain excitation energies and state eigenvectors. The excitation energies thus are guaranteed always to be real valued, and the eigenvectors are mutually orthogonal, in contrast to response theories based on “traditional” coupled-cluster models. It turned out that the TD-UCC[2] working equations for excitation energies and polarizabilities are equivalent to those of the second-order algebraic diagrammatic construction scheme ADC(2). Numerical tests are carried out by calculating TD-VCC[2] and TD-UCC[2] excitation energies and frequency-dependent dipole polarizabilities for several test systems and by comparing them to the corresponding values obtained from other second- and higher-order methods. It turns out that the TD-VCC[2] polarizabilities in the frequency regions away from the poles are of a similar accuracy as for other second-order methods, as expected from the perturbative analysis of the TD-VCC[2] polarizability expression. On the other hand, the TD-VCC[2] excitation energies are systematically too low relative to other second-order methods (including TD-UCC[2]). On the basis of these results and an analysis presented in this work, we conjecture that the perturbative expansion of the Jacobian converges more slowly for the TD-VCC formalism than for TD-UCC or for response theories based on traditional coupled-cluster models.

Plasmons and Polaritons in Low Dimensional Systems

NASA Astrophysics Data System (ADS)

Sun, Zhiyuan

Nearly everything relies on the electromagnetic (EM) force to be in its current form. Therefore, light-matter interaction is both a fundamental and a practical subject in physics. Focusing on the electromagnetic field, the matter degrees of freedom can be encoded into its response to the EM field in the form of charge density and urrent. Reshaped by the EM response, the photons in condensed matter systems appear as various collective modes. In this doctoral dissertation, I present our investigation of the linear and nonlinear EM response theory especially in the hydrodynamic regime of electron systems. Electrons in pristine solids behave as a hydrodynamic fluid in a certain range of temperatures and frequencies. We show that the response of such a fluid to electromagnetic field is different from what is predicted by the usual kinetic theory. Certain aspects of this response are universal, for example, a direct relation between the linear and second-order nonlinear optical conductivities. Discovery of this relation enriches our understanding of the light-matter interaction in diverse electron systems and new materials such as graphene. Subsequently, I study the properties of the charged collective modes, the plasmons and demons in 2D Dirac fluids, e.g., the electron-hole system in graphene. Under non-equilibrium situation, the amplitudes of these collective modes could possibly grow due to an effect of adiabatic amplification. I also present our study of the hyperbolic polaritons, the EM modes in hyperbolic materials. When confined in cavities, they develop isolated eigen modes which could be efficiently predicted by applying semi-classical quantization rules to fictitious particles. We demonstrate this Hamiltonian Optics analytically for cavities of spheroidal shapes, and predict novel geometric patterns of the electric field distribution due to classical periodic orbits.

Linear and Non-Linear Dielectric Response of Periodic Systems from Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Umari, Paolo

2006-03-01

We present a novel approach that allows to calculate the dielectric response of periodic systems in the quantum Monte Carlo formalism. We employ a many-body generalization for the electric enthalpy functional, where the coupling with the field is expressed via the Berry-phase formulation for the macroscopic polarization. A self-consistent local Hamiltonian then determines the ground-state wavefunction, allowing for accurate diffusion quantum Monte Carlo calculations where the polarization's fixed point is estimated from the average on an iterative sequence. The polarization is sampled through forward-walking. This approach has been validated for the case of the polarizability of an isolated hydrogen atom, and then applied to a periodic system. We then calculate the linear susceptibility and second-order hyper-susceptibility of molecular-hydrogen chains whith different bond-length alternations, and assess the quality of nodal surfaces derived from density-functional theory or from Hartree-Fock. The results found are in excellent agreement with the best estimates obtained from the extrapolation of quantum-chemistry calculations.P. Umari, A.J. Williamson, G. Galli, and N. MarzariPhys. Rev. Lett. 95, 207602 (2005).

Unifying dynamical and structural stability of equilibria

NASA Astrophysics Data System (ADS)

Arnoldi, Jean-François; Haegeman, Bart

2016-09-01

We exhibit a fundamental relationship between measures of dynamical and structural stability of linear dynamical systems-e.g. linearized models in the vicinity of equilibria. We show that dynamical stability, quantified via the response to external perturbations (i.e. perturbation of dynamical variables), coincides with the minimal internal perturbation (i.e. perturbations of interactions between variables) able to render the system unstable. First, by reformulating a result of control theory, we explain that harmonic external perturbations reflect the spectral sensitivity of the Jacobian matrix at the equilibrium, with respect to constant changes of its coefficients. However, for this equivalence to hold, imaginary changes of the Jacobian's coefficients have to be allowed. The connection with dynamical stability is thus lost for real dynamical systems. We show that this issue can be avoided, thus recovering the fundamental link between dynamical and structural stability, by considering stochastic noise as external and internal perturbations. More precisely, we demonstrate that a linear system's response to white-noise perturbations directly reflects the intensity of internal white-noise disturbance that it can accommodate before becoming stochastically unstable.

Unifying dynamical and structural stability of equilibria.

PubMed

Arnoldi, Jean-François; Haegeman, Bart

2016-09-01

We exhibit a fundamental relationship between measures of dynamical and structural stability of linear dynamical systems-e.g. linearized models in the vicinity of equilibria. We show that dynamical stability, quantified via the response to external perturbations (i.e. perturbation of dynamical variables), coincides with the minimal internal perturbation (i.e. perturbations of interactions between variables) able to render the system unstable. First, by reformulating a result of control theory, we explain that harmonic external perturbations reflect the spectral sensitivity of the Jacobian matrix at the equilibrium, with respect to constant changes of its coefficients. However, for this equivalence to hold, imaginary changes of the Jacobian's coefficients have to be allowed. The connection with dynamical stability is thus lost for real dynamical systems. We show that this issue can be avoided, thus recovering the fundamental link between dynamical and structural stability, by considering stochastic noise as external and internal perturbations. More precisely, we demonstrate that a linear system's response to white-noise perturbations directly reflects the intensity of internal white-noise disturbance that it can accommodate before becoming stochastically unstable.

Nonlinear Wave Propagation

DTIC Science & Technology

2009-02-09

grey) soliton , to a nearly linear wavetrain at the front moving with its group velocity ; like KdV the NLS DSW has two speeds. The 1-D NLS theory was...studies of wave phenomena in nonlinear optics include ultrashort pulse dynamics in mode- locked lasers, dynamics and perturbations of dark solitons ...nonlinear Kerr response and has a large normal group - velocity dispersion (GVD). This requires a set of prisms and/or mirrors specially designed to have

Breakthroughs in Low-Profile Leaky-Wave HPM Antennas

DTIC Science & Technology

2016-09-21

information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and... traveling , fast-wave, leaky-wave class. 1.1. Overview of Previous Activities (1st thru 11th Quarter) During the first quarter, we prepared and...theory to guide the design of high-gain configurations (again, limited to 2D, H-plane representations) for linear, forward traveling -wave, leaky

A Maximin Model for Test Design with Practical Constraints. Project Psychometric Aspects of Item Banking No. 25. Research Report 87-10.

ERIC Educational Resources Information Center

van der Linden, Wim J.; Boekkooi-Timminga, Ellen

A "maximin" model for item response theory based test design is proposed. In this model only the relative shape of the target test information function is specified. It serves as a constraint subject to which a linear programming algorithm maximizes the information in the test. In the practice of test construction there may be several…

Theoretical relationship between vibration transmissibility and driving-point response functions of the human body.

PubMed

Dong, Ren G; Welcome, Daniel E; McDowell, Thomas W; Wu, John Z

2013-11-25

The relationship between the vibration transmissibility and driving-point response functions (DPRFs) of the human body is important for understanding vibration exposures of the system and for developing valid models. This study identified their theoretical relationship and demonstrated that the sum of the DPRFs can be expressed as a linear combination of the transmissibility functions of the individual mass elements distributed throughout the system. The relationship is verified using several human vibration models. This study also clarified the requirements for reliably quantifying transmissibility values used as references for calibrating the system models. As an example application, this study used the developed theory to perform a preliminary analysis of the method for calibrating models using both vibration transmissibility and DPRFs. The results of the analysis show that the combined method can theoretically result in a unique and valid solution of the model parameters, at least for linear systems. However, the validation of the method itself does not guarantee the validation of the calibrated model, because the validation of the calibration also depends on the model structure and the reliability and appropriate representation of the reference functions. The basic theory developed in this study is also applicable to the vibration analyses of other structures.

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue; Govind, Niranjan; Yang, Chao

2017-12-01

We present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by a modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.

Discriminative Learning of Receptive Fields from Responses to Non-Gaussian Stimulus Ensembles

PubMed Central

Meyer, Arne F.; Diepenbrock, Jan-Philipp; Happel, Max F. K.; Ohl, Frank W.; Anemüller, Jörn

2014-01-01

Analysis of sensory neurons' processing characteristics requires simultaneous measurement of presented stimuli and concurrent spike responses. The functional transformation from high-dimensional stimulus space to the binary space of spike and non-spike responses is commonly described with linear-nonlinear models, whose linear filter component describes the neuron's receptive field. From a machine learning perspective, this corresponds to the binary classification problem of discriminating spike-eliciting from non-spike-eliciting stimulus examples. The classification-based receptive field (CbRF) estimation method proposed here adapts a linear large-margin classifier to optimally predict experimental stimulus-response data and subsequently interprets learned classifier weights as the neuron's receptive field filter. Computational learning theory provides a theoretical framework for learning from data and guarantees optimality in the sense that the risk of erroneously assigning a spike-eliciting stimulus example to the non-spike class (and vice versa) is minimized. Efficacy of the CbRF method is validated with simulations and for auditory spectro-temporal receptive field (STRF) estimation from experimental recordings in the auditory midbrain of Mongolian gerbils. Acoustic stimulation is performed with frequency-modulated tone complexes that mimic properties of natural stimuli, specifically non-Gaussian amplitude distribution and higher-order correlations. Results demonstrate that the proposed approach successfully identifies correct underlying STRFs, even in cases where second-order methods based on the spike-triggered average (STA) do not. Applied to small data samples, the method is shown to converge on smaller amounts of experimental recordings and with lower estimation variance than the generalized linear model and recent information theoretic methods. Thus, CbRF estimation may prove useful for investigation of neuronal processes in response to natural stimuli and in settings where rapid adaptation is induced by experimental design. PMID:24699631

Discriminative learning of receptive fields from responses to non-Gaussian stimulus ensembles.

PubMed

Meyer, Arne F; Diepenbrock, Jan-Philipp; Happel, Max F K; Ohl, Frank W; Anemüller, Jörn

2014-01-01

Analysis of sensory neurons' processing characteristics requires simultaneous measurement of presented stimuli and concurrent spike responses. The functional transformation from high-dimensional stimulus space to the binary space of spike and non-spike responses is commonly described with linear-nonlinear models, whose linear filter component describes the neuron's receptive field. From a machine learning perspective, this corresponds to the binary classification problem of discriminating spike-eliciting from non-spike-eliciting stimulus examples. The classification-based receptive field (CbRF) estimation method proposed here adapts a linear large-margin classifier to optimally predict experimental stimulus-response data and subsequently interprets learned classifier weights as the neuron's receptive field filter. Computational learning theory provides a theoretical framework for learning from data and guarantees optimality in the sense that the risk of erroneously assigning a spike-eliciting stimulus example to the non-spike class (and vice versa) is minimized. Efficacy of the CbRF method is validated with simulations and for auditory spectro-temporal receptive field (STRF) estimation from experimental recordings in the auditory midbrain of Mongolian gerbils. Acoustic stimulation is performed with frequency-modulated tone complexes that mimic properties of natural stimuli, specifically non-Gaussian amplitude distribution and higher-order correlations. Results demonstrate that the proposed approach successfully identifies correct underlying STRFs, even in cases where second-order methods based on the spike-triggered average (STA) do not. Applied to small data samples, the method is shown to converge on smaller amounts of experimental recordings and with lower estimation variance than the generalized linear model and recent information theoretic methods. Thus, CbRF estimation may prove useful for investigation of neuronal processes in response to natural stimuli and in settings where rapid adaptation is induced by experimental design.

Stochastic control of inertial sea wave energy converter.

PubMed

Raffero, Mattia; Martini, Michele; Passione, Biagio; Mattiazzo, Giuliana; Giorcelli, Ermanno; Bracco, Giovanni

2015-01-01

The ISWEC (inertial sea wave energy converter) is presented, its control problems are stated, and an optimal control strategy is introduced. As the aim of the device is energy conversion, the mean absorbed power by ISWEC is calculated for a plane 2D irregular sea state. The response of the WEC (wave energy converter) is driven by the sea-surface elevation, which is modeled by a stationary and homogeneous zero mean Gaussian stochastic process. System equations are linearized thus simplifying the numerical model of the device. The resulting response is obtained as the output of the coupled mechanic-hydrodynamic model of the device. A stochastic suboptimal controller, derived from optimal control theory, is defined and applied to ISWEC. Results of this approach have been compared with the ones obtained with a linear spring-damper controller, highlighting the capability to obtain a higher value of mean extracted power despite higher power peaks.

Stochastic Control of Inertial Sea Wave Energy Converter

PubMed Central

Mattiazzo, Giuliana; Giorcelli, Ermanno

2015-01-01

The ISWEC (inertial sea wave energy converter) is presented, its control problems are stated, and an optimal control strategy is introduced. As the aim of the device is energy conversion, the mean absorbed power by ISWEC is calculated for a plane 2D irregular sea state. The response of the WEC (wave energy converter) is driven by the sea-surface elevation, which is modeled by a stationary and homogeneous zero mean Gaussian stochastic process. System equations are linearized thus simplifying the numerical model of the device. The resulting response is obtained as the output of the coupled mechanic-hydrodynamic model of the device. A stochastic suboptimal controller, derived from optimal control theory, is defined and applied to ISWEC. Results of this approach have been compared with the ones obtained with a linear spring-damper controller, highlighting the capability to obtain a higher value of mean extracted power despite higher power peaks. PMID:25874267

Equivalent circuit simulation of HPEM-induced transient responses at nonlinear loads

NASA Astrophysics Data System (ADS)

Kotzev, Miroslav; Bi, Xiaotang; Kreitlow, Matthias; Gronwald, Frank

2017-09-01

In this paper the equivalent circuit modeling of a nonlinearly loaded loop antenna and its transient responses to HPEM field excitations are investigated. For the circuit modeling the general strategy to characterize the nonlinearly loaded antenna by a linear and a nonlinear circuit part is pursued. The linear circuit part can be determined by standard methods of antenna theory and numerical field computation. The modeling of the nonlinear circuit part requires realistic circuit models of the nonlinear loads that are given by Schottky diodes. Combining both parts, appropriate circuit models are obtained and analyzed by means of a standard SPICE circuit simulator. It is the main result that in this way full-wave simulation results can be reproduced. Furthermore it is clearly seen that the equivalent circuit modeling offers considerable advantages with respect to computation speed and also leads to improved physical insights regarding the coupling between HPEM field excitation and nonlinearly loaded loop antenna.

Effect of Initial Stress on the Dynamic Response of a Multi-Layered Plate-Strip Subjected to an Arbitrary Inclined Time-Harmonic Force

NASA Astrophysics Data System (ADS)

Daşdemir, A.

2017-08-01

The forced vibration of a multi-layered plate-strip with initial stress under the action of an arbitrary inclined time-harmonic force resting on a rigid foundation is considered. Within the framework of the piecewise homogeneous body model with the use of the three-dimensional linearized theory of elastic waves in initially stressed bodies (TLTEWISB), a mathematical modelling is presented in plane strain state. It is assumed that there exists the complete contact interaction at the interface between the layers and the materials of the layer are linearly elastic, homogeneous and isotropic. The governing system of the partial differential equations of motion for the considered problem is solved approximately by employing the Finite Element Method (FEM). Further, the influence of the initial stress parameter on the dynamic response of the plate-strip is presented.

Design guide for predicting nonlinear random response (including snap-through) of buckled plates

NASA Technical Reports Server (NTRS)

Ng, Chung Fai

1989-01-01

This design guide describes a method for predicting the random response of flat and curved plates which is based on theoretical analyses and experimental results. The plate curvature can be due to postbuckling, in-plane mechanical or thermal stresses. Based on a single mode formula, root mean square values of the strain response to broadband excitation are evaluated for different static buckled configurations using the equivalent linearization technique. The effects on the overall strain response due to instability motion of snap-through are included. Panel parameters include clamped and simply-supported boundaries, aspect ratio, thickness and length. Analytical results are compared with experimental results from tests with 12 in. x 15 in. aluminum plates under thermal loading in a progressive wave facility. Comparisons are also made with results from tests with a 2 in. x 15 in. x 0.032 in. aluminum beam under base mechanical excitation. The comparisons help to assess the accuracy of the theory and the conditions under which deviations from the theory due to effects of imperfection and higher modes are significant.

Response of the Shockley surface state to an external electrical field: A density-functional theory study of Cu(111)

NASA Astrophysics Data System (ADS)

Berland, K.; Einstein, T. L.; Hyldgaard, P.

2012-01-01

The response of the Cu(111) Shockley surface state to an external electrical field is characterized by combining a density-functional theory calculation for a slab geometry with an analysis of the Kohn-Sham wave functions. Our analysis is facilitated by a decoupling of the Kohn-Sham states via a rotation in Hilbert space. We find that the surface state displays isotropic dispersion, quadratic until the Fermi wave vector but with a significant quartic contribution beyond. We calculate the shift in energetic position and effective mass of the surface state for an electrical field perpendicular to the Cu(111) surface; the response is linear over a broad range of field strengths. We find that charge transfer occurs beyond the outermost copper atoms and that accumulation of electrons is responsible for a quarter of the screening of the electrical field. This allows us to provide well converged determinations of the field-induced changes in the surface state for a moderate number of layers in the slab geometry.

Lack of Set Theory Relevant Prerequisite Knowledge

ERIC Educational Resources Information Center

Dogan-Dunlap, Hamide

2006-01-01

Many students struggle with college mathematics topics due to a lack of mastery of prerequisite knowledge. Set theory language is one such prerequisite for linear algebra courses. Many students' mistakes on linear algebra questions reveal a lack of mastery of set theory knowledge. This paper reports the findings of a qualitative analysis of a…

Fourier functional analysis for unsteady aerodynamic modeling

NASA Technical Reports Server (NTRS)

Lan, C. Edward; Chin, Suei

1991-01-01

A method based on Fourier analysis is developed to analyze the force and moment data obtained in large amplitude forced oscillation tests at high angles of attack. The aerodynamic models for normal force, lift, drag, and pitching moment coefficients are built up from a set of aerodynamic responses to harmonic motions at different frequencies. Based on the aerodynamic models of harmonic data, the indicial responses are formed. The final expressions for the models involve time integrals of the indicial type advocated by Tobak and Schiff. Results from linear two- and three-dimensional unsteady aerodynamic theories as well as test data for a 70-degree delta wing are used to verify the models. It is shown that the present modeling method is accurate in producing the aerodynamic responses to harmonic motions and the ramp type motions. The model also produces correct trend for a 70-degree delta wing in harmonic motion with different mean angles-of-attack. However, the current model cannot be used to extrapolate data to higher angles-of-attack than that of the harmonic motions which form the aerodynamic model. For linear ramp motions, a special method is used to calculate the corresponding frequency and phase angle at a given time. The calculated results from modeling show a higher lift peak for linear ramp motion than for harmonic ramp motion. The current model also shows reasonably good results for the lift responses at different angles of attack.

Emergent odd-parity multipoles and magnetoelectric effects on a diamond structure: Implication for the 5 d transition metal oxides A OsO4 (A =K ,Rb, and Cs)

NASA Astrophysics Data System (ADS)

Hayami, Satoru; Kusunose, Hiroaki; Motome, Yukitoshi

2018-01-01

We report our theoretical predictions on the linear magnetoelectric (ME) effects originating from odd-parity multipoles associated with spontaneous spin and orbital ordering on a diamond structure. We derive a two-orbital model for d electrons in eg orbitals by including the effective spin-orbit coupling which arises from the mixing between eg and t2 g orbitals. We show that the model acquires a net antisymmetric spin-orbit coupling once staggered spin and orbital orders occur spontaneously. The staggered orders are accompanied by odd-parity multipoles: magnetic monopole, quadrupoles, and toroidal dipoles. We classify the types of the odd-parity multipoles according to the symmetry of the spin and orbital orders. Furthermore, by computing the ME tensor using the linear response theory, we show that the staggered orders induce a variety of the linear ME responses. We elaborate all possible ME responses for each staggered order, which are useful to identify the order parameter and to detect the odd-parity multipoles by measuring the ME effects. We also elucidate the effect of lowering symmetry by a tetragonal distortion, which leads to richer ME responses. The implications of our results are discussed for the 5 d transition metal oxides, A OsO4 (A =K,Rb, and Cs) , in which the order parameters are not fully identified.

Wind tunnel wall effects in a linear oscillating cascade

NASA Technical Reports Server (NTRS)

Buffum, Daniel H.; Fleeter, Sanford

1991-01-01

Experiments in a linear oscillating cascade reveal that the wind tunnel walls enclosing the airfoils have, in some cases, a detrimental effect on the oscillating cascade aerodynamics. In a subsonic flow field, biconvex airfoils are driven simultaneously in harmonic, torsion-mode oscillations for a range of interblade phase angle values. It is found that the cascade dynamic periodicity - the airfoil to airfoil variation in unsteady surface pressure - is good for some values of interblade phase angle but poor for others. Correlation of the unsteady pressure data with oscillating flat plate cascade predictions is generally good for conditions where the periodicity is good and poor where the periodicity is poor. Calculations based upon linearized unsteady aerodynamic theory indicate that pressure waves reflected from the wind tunnel walls are responsible for the cases where there is poor periodicity and poor correlation with the predictions.

Linear Mechanisms and Pressure Fluctuations in Wall Turbulence

NASA Astrophysics Data System (ADS)

Septham, Kamthon; Morrison, Jonathan

2014-11-01

Full-domain, linear feedback control of turbulent channel flow at Reτ <= 400 via vU' at low wavenumbers is an effective method to attenuate turbulent channel flow such that it is relaminarised. The passivity-based control approach is adopted and explained by the conservative characteristics of the nonlinear terms contributing to the Reynolds-Orr equation (Sharma et al .Phys .Fluids 2011). The linear forcing acts on the wall-normal velocity field and thus the pressure field via the linear (rapid) source term of the Poisson equation for pressure fluctuations, 2U'∂v/∂x . The minimum required spanwise wavelength resolution without losing control is constant at λz+ = 125, based on the wall friction velocity at t = 0 . The result shows that the maximum forcing is located at y+ ~ 20 , corresponding to the location of the maximum in the mean-square pressure gradient. The effectiveness of linear control is qualitatively explained by Landahl's theory for timescales, in that the control proceeds via the shear interaction timescale which is much shorter than both the nonlinear and viscous timescales. The response of the rapid (linear) and slow (nonlinear) pressure fluctuations to the linear control is examined and discussed.

Consensus for linear multi-agent system with intermittent information transmissions using the time-scale theory

NASA Astrophysics Data System (ADS)

Taousser, Fatima; Defoort, Michael; Djemai, Mohamed

2016-01-01

This paper investigates the consensus problem for linear multi-agent system with fixed communication topology in the presence of intermittent communication using the time-scale theory. Since each agent can only obtain relative local information intermittently, the proposed consensus algorithm is based on a discontinuous local interaction rule. The interaction among agents happens at a disjoint set of continuous-time intervals. The closed-loop multi-agent system can be represented using mixed linear continuous-time and linear discrete-time models due to intermittent information transmissions. The time-scale theory provides a powerful tool to combine continuous-time and discrete-time cases and study the consensus protocol under a unified framework. Using this theory, some conditions are derived to achieve exponential consensus under intermittent information transmissions. Simulations are performed to validate the theoretical results.

Can quantum transition state theory be defined as an exact t = 0+ limit?

NASA Astrophysics Data System (ADS)

Jang, Seogjoo; Voth, Gregory A.

2016-02-01

The definition of the classical transition state theory (TST) as a t → 0+ limit of the flux-side time correlation function relies on the assumption that simultaneous measurement of population and flux is a well defined physical process. However, the noncommutativity of the two measurements in quantum mechanics makes the extension of such a concept to the quantum regime impossible. For this reason, quantum TST (QTST) has been generally accepted as any kind of quantum rate theory reproducing the TST in the classical limit, and there has been a broad consensus that no unique QTST retaining all the properties of TST can be defined. Contrary to this widely held view, Hele and Althorpe (HA) [J. Chem. Phys. 138, 084108 (2013)] recently suggested that a true QTST can be defined as the exact t → 0+ limit of a certain kind of quantum flux-side time correlation function and that it is equivalent to the ring polymer molecular dynamics (RPMD) TST. This work seeks to question and clarify certain assumptions underlying these suggestions and their implications. First, the time correlation function used by HA as a starting expression is not related to the kinetic rate constant by virtue of linear response theory, which is the first important step in relating a t = 0+ limit to a physically measurable rate. Second, a theoretical analysis calls into question a key step in HA's proof which appears not to rely on an exact quantum mechanical identity. The correction of this makes the true t = 0+ limit of HA's QTST different from the RPMD-TST rate expression, but rather equal to the well-known path integral quantum transition state theory rate expression for the case of centroid dividing surface. An alternative quantum rate expression is then formulated starting from the linear response theory and by applying a recently developed formalism of real time dynamics of imaginary time path integrals [S. Jang, A. V. Sinitskiy, and G. A. Voth, J. Chem. Phys. 140, 154103 (2014)]. It is shown that the t → 0+ limit of the new rate expression vanishes in the exact quantum limit.

A study of the limitations of linear theory methods as applied to sonic boom calculations

NASA Technical Reports Server (NTRS)

Darden, Christine M.

1990-01-01

Current sonic boom minimization theories have been reviewed to emphasize the capabilities and flexibilities of the methods. Flexibility is important because it is necessary for the designer to meet optimized area constraints while reducing the impact on vehicle aerodynamic performance. Preliminary comparisons of sonic booms predicted for two Mach 3 concepts illustrate the benefits of shaping. Finally, for very simple bodies of revolution, sonic boom predictions were made using two methods - a modified linear theory method and a nonlinear method - for signature shapes which were both farfield N-waves and midfield waves. Preliminary analysis on these simple bodies verified that current modified linear theory prediction methods become inadequate for predicting midfield signatures for Mach numbers above 3. The importance of impulse is sonic boom disturbance and the importance of three-dimensional effects which could not be simulated with the bodies of revolution will determine the validity of current modified linear theory methods in predicting midfield signatures at lower Mach numbers.

Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method.

PubMed

Xu, Zhongnan; Joshi, Yogesh V; Raman, Sumathy; Kitchin, John R

2015-04-14

We validate the usage of the calculated, linear response Hubbard U for evaluating accurate electronic and chemical properties of bulk 3d transition metal oxides. We find calculated values of U lead to improved band gaps. For the evaluation of accurate reaction energies, we first identify and eliminate contributions to the reaction energies of bulk systems due only to changes in U and construct a thermodynamic cycle that references the total energies of unique U systems to a common point using a DFT + U(V) method, which we recast from a recently introduced DFT + U(R) method for molecular systems. We then introduce a semi-empirical method based on weighted DFT/DFT + U cohesive energies to calculate bulk oxidation energies of transition metal oxides using density functional theory and linear response calculated U values. We validate this method by calculating 14 reactions energies involving V, Cr, Mn, Fe, and Co oxides. We find up to an 85% reduction of the mean average error (MAE) compared to energies calculated with the Perdew-Burke-Ernzerhof functional. When our method is compared with DFT + U with empirically derived U values and the HSE06 hybrid functional, we find up to 65% and 39% reductions in the MAE, respectively.

Shock loading predictions from application of indicial theory to shock-turbulence interactions

NASA Technical Reports Server (NTRS)

Keefe, Laurence R.; Nixon, David

1991-01-01

A sequence of steps that permits prediction of some of the characteristics of the pressure field beneath a fluctuating shock wave from knowledge of the oncoming turbulent boundary layer is presented. The theory first predicts the power spectrum and pdf of the position and velocity of the shock wave, which are then used to obtain the shock frequency distribution, and the pdf of the pressure field, as a function of position within the interaction region. To test the validity of the crucial assumption of linearity, the indicial response of a normal shock is calculated from numerical simulation. This indicial response, after being fit by a simple relaxation model, is used to predict the shock position and velocity spectra, along with the shock passage frequency distribution. The low frequency portion of the shock spectra, where most of the energy is concentrated, is satisfactorily predicted by this method.

Geostrophic adjustment in a shallow-water numerical model as it relates to thermospheric dynamics

NASA Technical Reports Server (NTRS)

Larsen, M. F.; Mikkelsen, I. S.

1986-01-01

The theory of geostrophic adjustment and its application to the dynamics of the high latitude thermosphere have been discussed in previous papers based on a linearized treatment of the fluid dynamical equations. However, a linearized treatment is only valid for small Rossby numbers given by Ro = V/fL, where V is the wind speed, f is the local value of the Coriolis parameter, and L is a characteristic horizontal scale for the flow. For typical values in the auroral zone, the approximation is not reasonable for wind speeds greater than 25 m/s or so. A shallow-water (one layer) model was developed that includes the spherical geometry and full nonlinear dynamics in the momentum equations in order to isolate the effects of the nonlinearities on the adjustment process. A belt of accelerated winds between 60 deg and 70 deg latitude was used as the initial condition. The adjustment process was found to proceed as expected from the linear formulation, but that an asymmetry between the response for an eastward and westward flow results from the nonlineawr curvature (centrifugal) terms. In general, the amplitude of an eastward flowing wind will be less after adjustment than a westward wind. For instance, if the initial wind velocity is 300 m/s, the linearized theory predicts a final wind speed of 240 m/s, regardless of the flow direction. However, the nonlinear curvature terms modify the response and produce a final wind speed of only 200 m/s for an initial eastward wind and a final wind speed of almost 300 m/s for an initial westward flow direction. Also, less gravity wave energy is produced by the adjustment of the westward flow than by the adjustment of the eastward flow. The implications are that the response of the thermosphere should be significantly different on the dawn and dusk sides of the auroral oval. Larger flow velocities would be expected on the dusk side since the plasma will accelerate the flow in a westward direction in that sector.

Nonlocal response in plasmonic waveguiding with extreme light confinement

NASA Astrophysics Data System (ADS)

Toscano, Giuseppe; Raza, Søren; Yan, Wei; Jeppesen, Claus; Xiao, Sanshui; Wubs, Martijn; Jauho, Antti-Pekka; Bozhevolnyi, Sergey I.; Mortensen, N. Asger

2013-07-01

We present a novel wave equation for linearized plasmonic response, obtained by combining the coupled real-space differential equations for the electric field and current density. Nonlocal dynamics are fully accounted for, and the formulation is very well suited for numerical implementation, allowing us to study waveguides with subnanometer cross-sections exhibiting extreme light confinement. We show that groove and wedge waveguides have a fundamental lower limit in their mode confinement, only captured by the nonlocal theory. The limitation translates into an upper limit for the corresponding Purcell factors, and thus has important implications for quantum plasmonics.

Calculation of selective filters of a device for primary analysis of speech signals

NASA Astrophysics Data System (ADS)

Chudnovskii, L. S.; Ageev, V. M.

2014-07-01

The amplitude-frequency responses of filters for primary analysis of speech signals, which have a low quality factor and a high rolloff factor in the high-frequency range, are calculated using the linear theory of speech production and psychoacoustic measurement data. The frequency resolution of the filter system for a sinusoidal signal is 40-200 Hz. The modulation-frequency resolution of amplitude- and frequency-modulated signals is 3-6 Hz. The aforementioned features of the calculated filters are close to the amplitudefrequency responses of biological auditory systems at the level of the eighth nerve.

Predictors of Sun-Protective Practices among Iranian Female College Students: Application of Protection Motivation Theory.

PubMed

Dehbari, Samaneh Rooshanpour; Dehdari, Tahereh; Dehdari, Laleh; Mahmoudi, Maryam

2015-01-01

Given the importance of sun protection in the prevention of skin cancer, this study was designed to determine predictors of sun-protective practices among a sample of Iranian female college students based on protection motivation theory (PMT) variables. In this cross-sectional study, a total of 201 female college students in Iran University of Medical Sciences were selected. Demographic and PMT variables were assessed with a 67-item questionnaire. Multiple linear regression was used to identify demographic and PMT variables that were associated with sun-protective practices and intention. one percent of participants always wore a hat with a brim, 3.5% gloves and 15.9% sunglasses while outdoors. Only 10.9% regularly had their skin checked by a doctor. Perceived rewards, response efficacy, fear, self-efficacy and marital status were the five variables which could predict 39% variance of participants intention to perform sun-protective practices. Also, intention and response cost explained 31% of the variance of sun-protective practices. These predictive variables may be used to develop theory-based education interventions interventions to prevent skin cancer among college students.

Neural response to reward anticipation under risk is nonlinear in probabilities.

PubMed

Hsu, Ming; Krajbich, Ian; Zhao, Chen; Camerer, Colin F

2009-02-18

A widely observed phenomenon in decision making under risk is the apparent overweighting of unlikely events and the underweighting of nearly certain events. This violates standard assumptions in expected utility theory, which requires that expected utility be linear (objective) in probabilities. Models such as prospect theory have relaxed this assumption and introduced the notion of a "probability weighting function," which captures the key properties found in experimental data. This study reports functional magnetic resonance imaging (fMRI) data that neural response to expected reward is nonlinear in probabilities. Specifically, we found that activity in the striatum during valuation of monetary gambles are nonlinear in probabilities in the pattern predicted by prospect theory, suggesting that probability distortion is reflected at the level of the reward encoding process. The degree of nonlinearity reflected in individual subjects' decisions is also correlated with striatal activity across subjects. Our results shed light on the neural mechanisms of reward processing, and have implications for future neuroscientific studies of decision making involving extreme tails of the distribution, where probability weighting provides an explanation for commonly observed behavioral anomalies.

Einstein’s quadrupole formula from the kinetic-conformal Hořava theory

NASA Astrophysics Data System (ADS)

Bellorín, Jorge; Restuccia, Alvaro

We analyze the radiative and nonradiative linearized variables in a gravity theory within the family of the nonprojectable Hořava theories, the Hořava theory at the kinetic-conformal point. There is no extra mode in this formulation, the theory shares the same number of degrees of freedom with general relativity. The large-distance effective action, which is the one we consider, can be given in a generally-covariant form under asymptotically flat boundary conditions, the Einstein-aether theory under the condition of hypersurface orthogonality on the aether vector. In the linearized theory, we find that only the transverse-traceless tensorial modes obey a sourced wave equation, as in general relativity. The rest of variables are nonradiative. The result is gauge-independent at the level of the linearized theory. For the case of a weak source, we find that the leading mode in the far zone is exactly Einstein’s quadrupole formula of general relativity, if some coupling constants are properly identified. There are no monopoles nor dipoles in this formulation, in distinction to the nonprojectable Horava theory outside the kinetic-conformal point. We also discuss some constraints on the theory arising from the observational bounds on Lorentz-violating theories.

Convergence of finite difference transient response computations for thin shells.

NASA Technical Reports Server (NTRS)

Sobel, L. H.; Geers, T. L.

1973-01-01

Numerical studies pertaining to the limits of applicability of the finite difference method in the solution of linear transient shell response problems are performed, and a computational procedure for the use of the method is recommended. It is found that the only inherent limitation of the finite difference method is its inability to reproduce accurately response discontinuities. This is not a serious limitation in view of natural constraints imposed by the extension of Saint Venant's principle to transient response problems. It is also found that the short wavelength limitations of thin shell (Bernoulli-Euler) theory create significant convergence difficulties in computed response to certain types of transverse excitations. These difficulties may be overcome, however, through proper selection of finite difference mesh dimensions and temporal smoothing of the excitation.

Scalar-tensor linear inflation

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

Artymowski, Michał; Racioppi, Antonio, E-mail: Michal.Artymowski@uj.edu.pl, E-mail: Antonio.Racioppi@kbfi.ee

2017-04-01

We investigate two approaches to non-minimally coupled gravity theories which present linear inflation as attractor solution: a) the scalar-tensor theory approach, where we look for a scalar-tensor theory that would restore results of linear inflation in the strong coupling limit for a non-minimal coupling to gravity of the form of f (φ) R /2; b) the particle physics approach, where we motivate the form of the Jordan frame potential by loop corrections to the inflaton field. In both cases the Jordan frame potentials are modifications of the induced gravity inflationary scenario, but instead of the Starobinsky attractor they lead tomore » linear inflation in the strong coupling limit.« less

An outflow boundary condition for aeroacoustic computations

NASA Technical Reports Server (NTRS)

Hayder, M. Ehtesham; Hagstrom, Thomas

1995-01-01

A formulation of boundary condition for flows with small disturbances is presented. The authors test their methodology in an axisymmetric jet flow calculation, using both the Navier-Stokes and Euler equations. Solutions in the far field are assumed to be oscillatory. If the oscillatory disturbances are small, the growth of the solution variables can be predicted by linear theory. Eigenfunctions of the linear theory are used explicitly in the formulation of the boundary conditions. This guarantees correct solutions at the boundary in the limit where the predictions of linear theory are valid.

ORACLS: A system for linear-quadratic-Gaussian control law design

NASA Technical Reports Server (NTRS)

Armstrong, E. S.

1978-01-01

A modern control theory design package (ORACLS) for constructing controllers and optimal filters for systems modeled by linear time-invariant differential or difference equations is described. Numerical linear-algebra procedures are used to implement the linear-quadratic-Gaussian (LQG) methodology of modern control theory. Algorithms are included for computing eigensystems of real matrices, the relative stability of a matrix, factored forms for nonnegative definite matrices, the solutions and least squares approximations to the solutions of certain linear matrix algebraic equations, the controllability properties of a linear time-invariant system, and the steady state covariance matrix of an open-loop stable system forced by white noise. Subroutines are provided for solving both the continuous and discrete optimal linear regulator problems with noise free measurements and the sampled-data optimal linear regulator problem. For measurement noise, duality theory and the optimal regulator algorithms are used to solve the continuous and discrete Kalman-Bucy filter problems. Subroutines are also included which give control laws causing the output of a system to track the output of a prescribed model.

Computing Maximum Likelihood Estimates of Loglinear Models from Marginal Sums with Special Attention to Loglinear Item Response Theory. [Project Psychometric Aspects of Item Banking No. 53.] Research Report 91-1.

ERIC Educational Resources Information Center

Kelderman, Henk

In this paper, algorithms are described for obtaining the maximum likelihood estimates of the parameters in log-linear models. Modified versions of the iterative proportional fitting and Newton-Raphson algorithms are described that work on the minimal sufficient statistics rather than on the usual counts in the full contingency table. This is…

Analysis of seismic stability of large-sized tank VST-20000 with software package ANSYS

NASA Astrophysics Data System (ADS)

Tarasenko, A. A.; Chepur, P. V.; Gruchenkova, A. A.

2018-05-01

The work is devoted to the study of seismic stability of vertical steel tank VST-20000 with due consideration of the system response “foundation-tank-liquid”, conducted on the basis of the finite element method, modal analysis and linear spectral theory. The calculations are performed for the tank model with a high degree of detailing of metallic structures: shells, a fixed roof, a bottom, a reinforcing ring.

EIT Intensity Noise Spectroscopy

NASA Astrophysics Data System (ADS)

Crescimanno, Michael; Xiao, Yanhong; Baryakhtar, Maria; Hohensee, Michael; Phillips, David; Walsworth, Ron

2008-10-01

Intensity noise correlations in coherently-prepared media can reveal underlying spectroscopic detail, such as power broadening-free resonances. We analyze recent experimental results using very simple theory: The intensity noise correlation spectra can be quantitatively understood entirely in terms of static ensemble averages of the medium's steady state response. This is significantly simpler than stochastic integration of the Bloch equations, and leads to physical insights we apply to non-linear Faraday rotation and noise spectra in optically thick media.

Electronic Structure Methods Based on Density Functional Theory

DTIC Science & Technology

2010-01-01

0188 The public reporting burden for this collection of information is estimated to average 1 hour per response, including the time for reviewing...chapter in the ASM Handbook , Volume 22A: Fundamentals of Modeling for Metals Processing, 2010. PAO Case Number: 88ABW-2009-3258; Clearance Date: 16 Jul...are represented using a linear combination, or basis, of plane waves. Over time several methods were developed to avoid the large number of planewaves

The role of relativity in the optical response of gold within the time-dependent current-density-functional theory.

PubMed

Romaniello, P; de Boeij, P L

2005-04-22

We included relativistic effects in the formulation of the time-dependent current-density-functional theory for the calculation of linear response properties of metals [P. Romaniello and P. L. de Boeij, Phys. Rev. B (to be published)]. We treat the dominant scalar-relativistic effects using the zeroth-order regular approximation in the ground-state density-functional theory calculations, as well as in the time-dependent response calculations. The results for the dielectric function of gold calculated in the spectral range of 0-10 eV are compared with experimental data reported in literature and recent ellipsometric measurements. As well known, relativistic effects strongly influence the color of gold. We find that the onset of interband transitions is shifted from around 3.5 eV, obtained in a nonrelativistic calculation, to around 1.9 eV when relativity is included. With the inclusion of the scalar-relativistic effects there is an overall improvement of both real and imaginary parts of the dielectric function over the nonrelativistic ones. Nevertheless some important features in the absorption spectrum are not well reproduced, but can be explained in terms of spin-orbit coupling effects. The remaining deviations are attributed to the underestimation of the interband gap (5d-6sp band gap) in the local-density approximation and to the use of the adiabatic local-density approximation in the response calculation.

Frequency response of nonlinear oscillations of air column in a tube with an array of Helmholtz resonators.

PubMed

Sugimoto, N; Masuda, M; Hashiguchi, T

2003-10-01

Nonlinear cubic theory is developed to obtain a frequency response of shock-free, forced oscillations of an air column in a closed tube with an array of Helmholtz resonators connected axially. The column is assumed to be driven by a plane piston sinusoidally at a frequency close or equal to the lowest resonance frequency with its maximum displacement fixed. By applying the method of multiple scales, the equation for temporal modulation of a complex pressure amplitude of the lowest mode is derived in a case that a typical acoustic Mach number is comparable with the one-third power of the piston Mach number, while the relative detuning of a frequency is comparable with the quadratic order of the acoustic Mach number. The steady-state solution gives the asymmetric frequency response curve with bending (skew) due to nonlinear frequency upshift in addition to the linear downshift. Validity of the theory is checked against the frequency response obtained experimentally. For high amplitude of oscillations, an effect of jet loss at the throat of the resonator is taken into account, which introduces the quadratic loss to suppress the peak amplitude. It is revealed that as far as the present check is concerned, the weakly nonlinear theory can give quantitatively adequate description up to the pressure amplitude of about 3% to the equilibrium pressure.

Attention induced neural response trade-off in retinotopic cortex under load.

PubMed

Torralbo, Ana; Kelley, Todd A; Rees, Geraint; Lavie, Nilli

2016-09-14

The effects of perceptual load on visual cortex response to distractors are well established and various phenomena of 'inattentional blindness' associated with elimination of visual cortex response to unattended distractors, have been documented in tasks of high load. Here we tested an account for these effects in terms of a load-induced trade-off between target and distractor processing in retinotopic visual cortex. Participants were scanned using fMRI while performing a visual-search task and ignoring distractor checkerboards in the periphery. Retinotopic responses to target and distractors were assessed as a function of search load (comparing search set-sizes two, three and five). We found that increased load not only increased activity in frontoparietal network, but also had opposite effects on retinotopic responses to target and distractors. Target-related signals in areas V2-V3 linearly increased, while distractor response linearly decreased, with increased load. Critically, the slopes were equivalent for both load functions, thus demonstrating resource trade-off. Load effects were also found in displays with the same item number in the distractor hemisphere across different set sizes, thus ruling out local intrahemispheric interactions as the cause. Our findings provide new evidence for load theory proposals of attention resource sharing between target and distractor leading to inattentional blindness.

Attention induced neural response trade-off in retinotopic cortex under load

PubMed Central

Torralbo, Ana; Kelley, Todd A.; Rees, Geraint; Lavie, Nilli

2016-01-01

The effects of perceptual load on visual cortex response to distractors are well established and various phenomena of ‘inattentional blindness’ associated with elimination of visual cortex response to unattended distractors, have been documented in tasks of high load. Here we tested an account for these effects in terms of a load-induced trade-off between target and distractor processing in retinotopic visual cortex. Participants were scanned using fMRI while performing a visual-search task and ignoring distractor checkerboards in the periphery. Retinotopic responses to target and distractors were assessed as a function of search load (comparing search set-sizes two, three and five). We found that increased load not only increased activity in frontoparietal network, but also had opposite effects on retinotopic responses to target and distractors. Target-related signals in areas V2–V3 linearly increased, while distractor response linearly decreased, with increased load. Critically, the slopes were equivalent for both load functions, thus demonstrating resource trade-off. Load effects were also found in displays with the same item number in the distractor hemisphere across different set sizes, thus ruling out local intrahemispheric interactions as the cause. Our findings provide new evidence for load theory proposals of attention resource sharing between target and distractor leading to inattentional blindness. PMID:27625311

Effects of two-temperature parameter and thermal nonlocal parameter on transient responses of a half-space subjected to ramp-type heating

NASA Astrophysics Data System (ADS)

Xue, Zhang-Na; Yu, Ya-Jun; Tian, Xiao-Geng

2017-07-01

Based upon the coupled thermoelasticity and Green and Lindsay theory, the new governing equations of two-temperature thermoelastic theory with thermal nonlocal parameter is formulated. To more realistically model thermal loading of a half-space surface, a linear temperature ramping function is adopted. Laplace transform techniques are used to get the general analytical solutions in Laplace domain, and the inverse Laplace transforms based on Fourier expansion techniques are numerically implemented to obtain the numerical solutions in time domain. Specific attention is paid to study the effect of thermal nonlocal parameter, ramping time, and two-temperature parameter on the distributions of temperature, displacement and stress distribution.

Infrared spectroscopy of copper-resveratrol complexes: A joint experimental and theoretical study

NASA Astrophysics Data System (ADS)

Chiavarino, B.; Crestoni, M. E.; Fornarini, S.; Taioli, S.; Mancini, I.; Tosi, P.

2012-07-01

Infrared multiple-photon dissociation spectroscopy has been used to record vibrational spectra of charged copper-resveratrol complexes in the 3500-3700 cm-1 and 1100-1900 cm-1 regions. Minimum energy structures have been determined by density functional theory calculations using plane waves and pseudopotentials. In particular, the copper(I)-resveratrol complex presents a tetra-coordinated metal bound with two carbon atoms of the alkenyl moiety and two closest carbons of the adjoining resorcinol ring. For these geometries vibrational spectra have been calculated by using linear response theory. The good agreement between experimental and calculated IR spectra for the selected species confirms the overall reliability of the proposed geometries.

A general theory of linear cosmological perturbations: bimetric theories

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

Lagos, Macarena; Ferreira, Pedro G., E-mail: m.lagos13@imperial.ac.uk, E-mail: p.ferreira1@physics.ox.ac.uk

2017-01-01

We implement the method developed in [1] to construct the most general parametrised action for linear cosmological perturbations of bimetric theories of gravity. Specifically, we consider perturbations around a homogeneous and isotropic background, and identify the complete form of the action invariant under diffeomorphism transformations, as well as the number of free parameters characterising this cosmological class of theories. We discuss, in detail, the case without derivative interactions, and compare our results with those found in massive bigravity.

Graph-based linear scaling electronic structure theory.

PubMed

Niklasson, Anders M N; Mniszewski, Susan M; Negre, Christian F A; Cawkwell, Marc J; Swart, Pieter J; Mohd-Yusof, Jamal; Germann, Timothy C; Wall, Michael E; Bock, Nicolas; Rubensson, Emanuel H; Djidjev, Hristo

2016-06-21

We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.

Graph-based linear scaling electronic structure theory

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

Niklasson, Anders M. N., E-mail: amn@lanl.gov; Negre, Christian F. A.; Cawkwell, Marc J.

2016-06-21

We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.

Beyond the continuum: how molecular solvent structure affects electrostatics and hydrodynamics at solid-electrolyte interfaces.

PubMed

Bonthuis, Douwe Jan; Netz, Roland R

2013-10-03

Standard continuum theory fails to predict several key experimental results of electrostatic and electrokinetic measurements at aqueous electrolyte interfaces. In order to extend the continuum theory to include the effects of molecular solvent structure, we generalize the equations for electrokinetic transport to incorporate a space dependent dielectric profile, viscosity profile, and non-electrostatic interaction potential. All necessary profiles are extracted from atomistic molecular dynamics (MD) simulations. We show that the MD results for the ion-specific distribution of counterions at charged hydrophilic and hydrophobic interfaces are accurately reproduced using the dielectric profile of pure water and a non-electrostatic repulsion in an extended Poisson-Boltzmann equation. The distributions of Na(+) at both surface types and Cl(-) at hydrophilic surfaces can be modeled using linear dielectric response theory, whereas for Cl(-) at hydrophobic surfaces it is necessary to apply nonlinear response theory. The extended Poisson-Boltzmann equation reproduces the experimental values of the double-layer capacitance for many different carbon-based surfaces. In conjunction with a generalized hydrodynamic theory that accounts for a space dependent viscosity, the model captures the experimentally observed saturation of the electrokinetic mobility as a function of the bare surface charge density and the so-called anomalous double-layer conductivity. The two-scale approach employed here-MD simulations and continuum theory-constitutes a successful modeling scheme, providing basic insight into the molecular origins of the static and kinetic properties of charged surfaces, and allowing quantitative modeling at low computational cost.

Assessment of bias correction under transient climate change

NASA Astrophysics Data System (ADS)

Van Schaeybroeck, Bert; Vannitsem, Stéphane

2015-04-01

Calibration of climate simulations is necessary since large systematic discrepancies are generally found between the model climate and the observed climate. Recent studies have cast doubt upon the common assumption of the bias being stationary when the climate changes. This led to the development of new methods, mostly based on linear sensitivity of the biases as a function of time or forcing (Kharin et al. 2012). However, recent studies uncovered more fundamental problems using both low-order systems (Vannitsem 2011) and climate models, showing that the biases may display complicated non-linear variations under climate change. This last analysis focused on biases derived from the equilibrium climate sensitivity, thereby ignoring the effect of the transient climate sensitivity. Based on the linear response theory, a general method of bias correction is therefore proposed that can be applied on any climate forcing scenario. The validity of the method is addressed using twin experiments with a climate model of intermediate complexity LOVECLIM (Goosse et al., 2010). We evaluate to what extent the bias change is sensitive to the structure (frequency) of the applied forcing (here greenhouse gases) and whether the linear response theory is valid for global and/or local variables. To answer these question we perform large-ensemble simulations using different 300-year scenarios of forced carbon-dioxide concentrations. Reality and simulations are assumed to differ by a model error emulated as a parametric error in the wind drag or in the radiative scheme. References [1] H. Goosse et al., 2010: Description of the Earth system model of intermediate complexity LOVECLIM version 1.2, Geosci. Model Dev., 3, 603-633. [2] S. Vannitsem, 2011: Bias correction and post-processing under climate change, Nonlin. Processes Geophys., 18, 911-924. [3] V.V. Kharin, G. J. Boer, W. J. Merryfield, J. F. Scinocca, and W.-S. Lee, 2012: Statistical adjustment of decadal predictions in a changing climate, Geophys. Res. Lett., 39, L19705.

An Investigation of Factors Affecting the Degree of Naïve Impetus Theory Application

NASA Astrophysics Data System (ADS)

Liu, Xiufeng; MacIsaac, Dan

2005-03-01

This study investigates factors affecting the degree of novice physics students' application of the naïve impetus theory. Six hundred and fourteen first-year university engineering physics students answered the Force Concept Inventory as a pre-test for their calculus-based course. We examined the degree to which students consistently applied the naïve impetus theory across different items. We used a 2-way repeated measures ANOVA and linear regression to analyze data coded from incorrect student responses. It was found that there were statistically significant main effects for item familiarity and item requirement for explanation vs. prediction on the measured degree of impetus theory application. Student course grades had no significant effect on impetus theory application. When faced with items that were unfamiliar and predictive, students appeared to rely on non-theoretical, knowledge-in-pieces reasoning. Reasoning characteristic of naïve theories was more frequently applied when students were completing familiar problem tasks that required explanation. When considering all the above factors simultaneously, we found that the degree of naïve impetus theory application by students is attributable to variables in the following order: familiarity, prediction, and explanation.

Trends in modern system theory

NASA Technical Reports Server (NTRS)

Athans, M.

1976-01-01

The topics considered are related to linear control system design, adaptive control, failure detection, control under failure, system reliability, and large-scale systems and decentralized control. It is pointed out that the design of a linear feedback control system which regulates a process about a desirable set point or steady-state condition in the presence of disturbances is a very important problem. The linearized dynamics of the process are used for design purposes. The typical linear-quadratic design involving the solution of the optimal control problem of a linear time-invariant system with respect to a quadratic performance criterion is considered along with gain reduction theorems and the multivariable phase margin theorem. The stumbling block in many adaptive design methodologies is associated with the amount of real time computation which is necessary. Attention is also given to the desperate need to develop good theories for large-scale systems, the beginning of a microprocessor revolution, the translation of the Wiener-Hopf theory into the time domain, and advances made in dynamic team theory, dynamic stochastic games, and finite memory stochastic control.

Self-optimizing Pitch Control for Large Scale Wind Turbine Based on ADRC

NASA Astrophysics Data System (ADS)

Xia, Anjun; Hu, Guoqing; Li, Zheng; Huang, Dongxiao; Wang, Fengxiang

2018-01-01

Since wind turbine is a complex nonlinear and strong coupling system, traditional PI control method can hardly achieve good control performance. A self-optimizing pitch control method based on the active-disturbance-rejection control theory is proposed in this paper. A linear model of the wind turbine is derived by linearizing the aerodynamic torque equation and the dynamic response of wind turbine is transformed into a first-order linear system. An expert system is designed to optimize the amplification coefficient according to the pitch rate and the speed deviation. The purpose of the proposed control method is to regulate the amplification coefficient automatically and keep the variations of pitch rate and rotor speed in proper ranges. Simulation results show that the proposed pitch control method has the ability to modify the amplification coefficient effectively, when it is not suitable, and keep the variations of pitch rate and rotor speed in proper ranges

State variable modeling of the integrated engine and aircraft dynamics

NASA Astrophysics Data System (ADS)

Rotaru, Constantin; Sprinţu, Iuliana

2014-12-01

This study explores the dynamic characteristics of the combined aircraft-engine system, based on the general theory of the state variables for linear and nonlinear systems, with details leading first to the separate formulation of the longitudinal and the lateral directional state variable models, followed by the merging of the aircraft and engine models into a single state variable model. The linearized equations were expressed in a matrix form and the engine dynamics was included in terms of variation of thrust following a deflection of the throttle. The linear model of the shaft dynamics for a two-spool jet engine was derived by extending the one-spool model. The results include the discussion of the thrust effect upon the aircraft response when the thrust force associated with the engine has a sizable moment arm with respect to the aircraft center of gravity for creating a compensating moment.

Activation Time of Cardiac Tissue In Response to a Linear Array of Spatial Alternating Bipolar Electrodes

NASA Astrophysics Data System (ADS)

Mashburn, David; Wikswo, John

2007-11-01

Prevailing theories about the response of the heart to high field shocks predict that local regions of high resistivity distributed throughout the heart create multiple small virtual electrodes that hyperpolarize or depolarize tissue and lead to widespread activation. This resetting of bulk tissue is responsible for the successful functioning of cardiac defibrillators. By activating cardiac tissue with regular linear arrays of spatially alternating bipolar currents, we can simulate these potentials locally. We have studied the activation time due to distributed currents in both a 1D Beeler-Reuter model and on the surface of the whole heart, varying the strength of each source and the separation between them. By comparison with activation time data from actual field shock of a whole heart in a bath, we hope to better understand these transient virtual electrodes. Our work was done on rabbit RV using florescent optical imaging and our Phased Array Stimulator for driving the 16 current sources. Our model shows that for a total absolute current delivered to a region of tissue, the entire region activates faster if above-threshold sources are more distributed.

Nonlinearity and Strain-Rate Dependence in the Deformation Response of Polymer Matrix Composites Modeled

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.

2000-01-01

There has been no accurate procedure for modeling the high-speed impact of composite materials, but such an analytical capability will be required in designing reliable lightweight engine-containment systems. The majority of the models in use assume a linear elastic material response that does not vary with strain rate. However, for containment systems, polymer matrix composites incorporating ductile polymers are likely to be used. For such a material, the deformation response is likely to be nonlinear and to vary with strain rate. An analytical model has been developed at the NASA Glenn Research Center at Lewis Field that incorporates both of these features. A set of constitutive equations that was originally developed to analyze the viscoplastic deformation of metals (Ramaswamy-Stouffer equations) was modified to simulate the nonlinear, rate-dependent deformation of polymers. Specifically, the effects of hydrostatic stresses on the inelastic response, which can be significant in polymers, were accounted for by a modification of the definition of the effective stress. The constitutive equations were then incorporated into a composite micromechanics model based on the mechanics of materials theory. This theory predicts the deformation response of a composite material from the properties and behavior of the individual constituents. In this manner, the nonlinear, rate-dependent deformation response of a polymer matrix composite can be predicted.

Estimation of ion competition via correlated responsivity offset in linear ion trap mass spectrometry analysis: theory and practical use in the analysis of cyanobacterial hepatotoxin microcystin-LR in extracts of food additives.

PubMed

Urban, Jan; Hrouzek, Pavel; Stys, Dalibor; Martens, Harald

2013-01-01

Responsivity is a conversion qualification of a measurement device given by the functional dependence between the input and output quantities. A concentration-response-dependent calibration curve represents the most simple experiment for the measurement of responsivity in mass spectrometry. The cyanobacterial hepatotoxin microcystin-LR content in complex biological matrices of food additives was chosen as a model example of a typical problem. The calibration curves for pure microcystin and its mixtures with extracts of green alga and fish meat were reconstructed from the series of measurement. A novel approach for the quantitative estimation of ion competition in ESI is proposed in this paper. We define the correlated responsivity offset in the intensity values using the approximation of minimal correlation given by the matrix to the target mass values of the analyte. The estimation of the matrix influence enables the approximation of the position of a priori unknown responsivity and was easily evaluated using a simple algorithm. The method itself is directly derived from the basic attributes of the theory of measurements. There is sufficient agreement between the theoretical and experimental values. However, some theoretical issues are discussed to avoid misinterpretations and excessive expectations.

Estimation of Ion Competition via Correlated Responsivity Offset in Linear Ion Trap Mass Spectrometry Analysis: Theory and Practical Use in the Analysis of Cyanobacterial Hepatotoxin Microcystin-LR in Extracts of Food Additives

PubMed Central

Hrouzek, Pavel; Štys, Dalibor; Martens, Harald

2013-01-01

Responsivity is a conversion qualification of a measurement device given by the functional dependence between the input and output quantities. A concentration-response-dependent calibration curve represents the most simple experiment for the measurement of responsivity in mass spectrometry. The cyanobacterial hepatotoxin microcystin-LR content in complex biological matrices of food additives was chosen as a model example of a typical problem. The calibration curves for pure microcystin and its mixtures with extracts of green alga and fish meat were reconstructed from the series of measurement. A novel approach for the quantitative estimation of ion competition in ESI is proposed in this paper. We define the correlated responsivity offset in the intensity values using the approximation of minimal correlation given by the matrix to the target mass values of the analyte. The estimation of the matrix influence enables the approximation of the position of a priori unknown responsivity and was easily evaluated using a simple algorithm. The method itself is directly derived from the basic attributes of the theory of measurements. There is sufficient agreement between the theoretical and experimental values. However, some theoretical issues are discussed to avoid misinterpretations and excessive expectations. PMID:23586036

Nonlinear spherical perturbations in quintessence models of dark energy

NASA Astrophysics Data System (ADS)

Pratap Rajvanshi, Manvendra; Bagla, J. S.

2018-06-01

Observations have confirmed the accelerated expansion of the universe. The accelerated expansion can be modelled by invoking a cosmological constant or a dynamical model of dark energy. A key difference between these models is that the equation of state parameter w for dark energy differs from ‑1 in dynamical dark energy (DDE) models. Further, the equation of state parameter is not constant for a general DDE model. Such differences can be probed using the variation of scale factor with time by measuring distances. Another significant difference between the cosmological constant and DDE models is that the latter must cluster. Linear perturbation analysis indicates that perturbations in quintessence models of dark energy do not grow to have a significant amplitude at small length scales. In this paper we study the response of quintessence dark energy to non-linear perturbations in dark matter. We use a fully relativistic model for spherically symmetric perturbations. In this study we focus on thawing models. We find that in response to non-linear perturbations in dark matter, dark energy perturbations grow at a faster rate than expected in linear perturbation theory. We find that dark energy perturbation remains localised and does not diffuse out to larger scales. The dominant drivers of the evolution of dark energy perturbations are the local Hubble flow and a supression of gradients of the scalar field. We also find that the equation of state parameter w changes in response to perturbations in dark matter such that it also becomes a function of position. The variation of w in space is correlated with density contrast for matter. Variation of w and perturbations in dark energy are more pronounced in response to large scale perturbations in matter while the dependence on the amplitude of matter perturbations is much weaker.

Linear system theory

NASA Technical Reports Server (NTRS)

Callier, Frank M.; Desoer, Charles A.

1991-01-01

The aim of this book is to provide a systematic and rigorous access to the main topics of linear state-space system theory in both the continuous-time case and the discrete-time case; and the I/O description of linear systems. The main thrusts of the work are the analysis of system descriptions and derivations of their properties, LQ-optimal control, state feedback and state estimation, and MIMO unity-feedback systems.

A generalized Lyapunov theory for robust root clustering of linear state space models with real parameter uncertainty

NASA Technical Reports Server (NTRS)

Yedavalli, R. K.

1992-01-01

The problem of analyzing and designing controllers for linear systems subject to real parameter uncertainty is considered. An elegant, unified theory for robust eigenvalue placement is presented for a class of D-regions defined by algebraic inequalities by extending the nominal matrix root clustering theory of Gutman and Jury (1981) to linear uncertain time systems. The author presents explicit conditions for matrix root clustering for different D-regions and establishes the relationship between the eigenvalue migration range and the parameter range. The bounds are all obtained by one-shot computation in the matrix domain and do not need any frequency sweeping or parameter gridding. The method uses the generalized Lyapunov theory for getting the bounds.

Gravitons as Embroidery on the Weave

NASA Astrophysics Data System (ADS)

Iwasaki, Junichi; Rovelli, Carlo

We investigate the physical interpretation of the loop states that appear in the loop representation of quantum gravity. By utilizing the “weave” state, which has been recently introduced as a quantum description of the microstructure of flat space, we analyze the relation between loop states and graviton states. This relation determines a linear map M from the state-space of the nonperturbative theory (loop space) into the state-space of the linearized theory (Fock space). We present an explicit form of this map, and a preliminary investigation of its properties. The existence of such a map indicates that the full nonperturbative quantum theory includes a sector that describes the same physics as (the low energy regimes of) the linearized theory, namely gravitons on flat space.

Bernstein modes in a non-neutral plasma column

NASA Astrophysics Data System (ADS)

Walsh, Daniel; Dubin, Daniel H. E.

2018-05-01

This paper presents theory and numerical calculations of electrostatic Bernstein modes in an inhomogeneous cylindrical plasma column. These modes rely on finite Larmor radius effects to propagate radially across the column until they are reflected when their frequency matches the upper hybrid frequency. This reflection sets up an internal normal mode on the column and also mode-couples to the electrostatic surface cyclotron wave (which allows the normal mode to be excited and observed using external electrodes). Numerical results predicting the mode spectra, using a novel linear Vlasov code on a cylindrical grid, are presented and compared to an analytical Wentzel Kramers Brillouin (WKB) theory. A previous version of the theory [D. H. E. Dubin, Phys. Plasmas 20(4), 042120 (2013)] expanded the plasma response in powers of 1/B, approximating the local upper hybrid frequency, and consequently, its frequency predictions are spuriously shifted with respect to the numerical results presented here. A new version of the WKB theory avoids this approximation using the exact cold fluid plasma response and does a better job of reproducing the numerical frequency spectrum. The effect of multiple ion species on the mode spectrum is also considered, to make contact with experiments that observe cyclotron modes in a multi-species pure ion plasma [M. Affolter et al., Phys. Plasmas 22(5), 055701 (2015)].

Linear instability of plane Couette and Poiseuille flows

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

Chefranov, S. G., E-mail: schefranov@mail.ru; Chefranov, A. G., E-mail: Alexander.chefranov@emu.edu.tr

2016-05-15

It is shown that linear instability of plane Couette flow can take place even at finite Reynolds numbers Re > Re{sub th} ≈ 139, which agrees with the experimental value of Re{sub th} ≈ 150 ± 5 [16, 17]. This new result of the linear theory of hydrodynamic stability is obtained by abandoning traditional assumption of the longitudinal periodicity of disturbances in the flow direction. It is established that previous notions about linear stability of this flow at arbitrarily large Reynolds numbers relied directly upon the assumed separation of spatial variables of the field of disturbances and their longitudinal periodicitymore » in the linear theory. By also abandoning these assumptions for plane Poiseuille flow, a new threshold Reynolds number Re{sub th} ≈ 1035 is obtained, which agrees to within 4% with experiment—in contrast to 500% discrepancy for the previous estimate of Re{sub th} ≈ 5772 obtained in the framework of the linear theory under assumption of the “normal” shape of disturbances [2].« less

Variational Theory of Motion of Curved, Twisted and Extensible Elastic Rods

DTIC Science & Technology

1993-01-18

nonlinear theory such as questions of existence of solutions and global behavior have been carried out by Antman (1976). His basic work entitled "The...Aerosp. Ens. Q017/018 16 REFERENCES Antman , S.S., "Ordinary Differential Equations of Non-Linear ElastIcity 1: Foundatious of the Theories of Non-Linearly...Elutic rods and Shells," A.R.M.A. 61 (1976), 307-351. Antman , S.S., "The Theory of Rods", Handbuch der Physik, Vol. Vla/2, Springer-Verlq, Berlin

A non-axisymmetric linearized supersonic wave drag analysis: Mathematical theory

NASA Technical Reports Server (NTRS)

Barnhart, Paul J.

1996-01-01

A Mathematical theory is developed to perform the calculations necessary to determine the wave drag for slender bodies of non-circular cross section. The derivations presented in this report are based on extensions to supersonic linearized small perturbation theory. A numerical scheme is presented utilizing Fourier decomposition to compute the pressure coefficient on and about a slender body of arbitrary cross section.

Singular value description of a digital radiographic detector: Theory and measurements

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

Kyprianou, Iacovos S.; Badano, Aldo; Gallas, Brandon D.

The H operator represents the deterministic performance of any imaging system. For a linear, digital imaging system, this system operator can be written in terms of a matrix, H, that describes the deterministic response of the system to a set of point objects. A singular value decomposition of this matrix results in a set of orthogonal functions (singular vectors) that form the system basis. A linear combination of these vectors completely describes the transfer of objects through the linear system, where the respective singular values associated with each singular vector describe the magnitude with which that contribution to the objectmore » is transferred through the system. This paper is focused on the measurement, analysis, and interpretation of the H matrix for digital x-ray detectors. A key ingredient in the measurement of the H matrix is the detector response to a single x ray (or infinitestimal x-ray beam). The authors have developed a method to estimate the 2D detector shift-variant, asymmetric ray response function (RRF) from multiple measured line response functions (LRFs) using a modified edge technique. The RRF measurements cover a range of x-ray incident angles from 0 deg. (equivalent location at the detector center) to 30 deg. (equivalent location at the detector edge) for a standard radiographic or cone-beam CT geometric setup. To demonstrate the method, three beam qualities were tested using the inherent, Lu/Er, and Yb beam filtration. The authors show that measures using the LRF, derived from an edge measurement, underestimate the system's performance when compared with the H matrix derived using the RRF. Furthermore, the authors show that edge measurements must be performed at multiple directions in order to capture rotational asymmetries of the RRF. The authors interpret the results of the H matrix SVD and provide correlations with the familiar MTF methodology. Discussion is made about the benefits of the H matrix technique with regards to signal detection theory, and the characterization of shift-variant imaging systems.« less

Covalency in Metal-Oxygen Multiple Bonds Evaluated Using Oxygen K-edge Spectroscopy and Electronic Structure Theory

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

Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R.

Advancing theories of how metal oxygen bonding influences metal oxo properties can expose new avenues for innovation in materials science, catalysis, and biochemistry. Historically, spectroscopic analyses of the transition metal peroxyanions, MO4x-, have formed the basis for new M O bonding theories. Herein, relative changes in M O orbital mixing in MO42- (M = Cr, Mo, W) and MO41- (M = Mn, Tc, Re) are evaluated for the first time by non-resonant inelastic X-ray scattering, X-ray absorption spectroscopy using fluorescence and transmission (via a scanning transmission X-ray microscope), and linear-response density functional theory. The results suggest that moving from Groupmore » 6 to Group 7 or down the triads increases M O e () mixing. Meanwhile, t2 mixing ( + ) remains relatively constant within the same Group. These unexpected changes in frontier orbital energy and composition are evaluated in terms of periodic trends in d orbital energy and radial extension.« less

Shear-transformation-zone theory of linear glassy dynamics.

PubMed

Bouchbinder, Eran; Langer, J S

2011-06-01

We present a linearized shear-transformation-zone (STZ) theory of glassy dynamics in which the internal STZ transition rates are characterized by a broad distribution of activation barriers. For slowly aging or fully aged systems, the main features of the barrier-height distribution are determined by the effective temperature and other near-equilibrium properties of the configurational degrees of freedom. Our theory accounts for the wide range of relaxation rates observed in both metallic glasses and soft glassy materials such as colloidal suspensions. We find that the frequency-dependent loss modulus is not just a superposition of Maxwell modes. Rather, it exhibits an α peak that rises near the viscous relaxation rate and, for nearly jammed, glassy systems, extends to much higher frequencies in accord with experimental observations. We also use this theory to compute strain recovery following a period of large, persistent deformation and then abrupt unloading. We find that strain recovery is determined in part by the initial barrier-height distribution, but that true structural aging also occurs during this process and determines the system's response to subsequent perturbations. In particular, we find by comparison with experimental data that the initial deformation produces a highly disordered state with a large population of low activation barriers, and that this state relaxes quickly toward one in which the distribution is dominated by the high barriers predicted by the near-equilibrium analysis. The nonequilibrium dynamics of the barrier-height distribution is the most important of the issues raised and left unresolved in this paper.

On the Validity of the Streaming Model for the Redshift-Space Correlation Function in the Linear Regime

NASA Astrophysics Data System (ADS)

Fisher, Karl B.

1995-08-01

The relation between the galaxy correlation functions in real-space and redshift-space is derived in the linear regime by an appropriate averaging of the joint probability distribution of density and velocity. The derivation recovers the familiar linear theory result on large scales but has the advantage of clearly revealing the dependence of the redshift distortions on the underlying peculiar velocity field; streaming motions give rise to distortions of θ(Ω0.6/b) while variations in the anisotropic velocity dispersion yield terms of order θ(Ω1.2/b2). This probabilistic derivation of the redshift-space correlation function is similar in spirit to the derivation of the commonly used "streaming" model, in which the distortions are given by a convolution of the real-space correlation function with a velocity distribution function. The streaming model is often used to model the redshift-space correlation function on small, highly nonlinear, scales. There have been claims in the literature, however, that the streaming model is not valid in the linear regime. Our analysis confirms this claim, but we show that the streaming model can be made consistent with linear theory provided that the model for the streaming has the functional form predicted by linear theory and that the velocity distribution is chosen to be a Gaussian with the correct linear theory dispersion.

Characterizing Intimate Mixtures of Materials in Hyperspectral Imagery with Albedo-based and Kernel-based Approaches

DTIC Science & Technology

2015-09-01

scattering albedo (SSA) according to Hapke theory assuming bidirectional scattering at nadir look angles and uses a constrained linear model on the computed...following Hapke 9 (1993); and Mustard and Pieters 18 (1987)) assuming the reflectance spectra are bidirectional . SSA spectra were also generated...from AVIRIS data collected during a JPL/USGS campaign in response to the Deep Water Horizon (DWH) oil spill incident. 27 Out of the numerous

Coupled Atom-Polar Molecule Condensate Systems: A Theoretical Adventure

DTIC Science & Technology

2014-07-14

second uses the linear-response theory more familiar to people working in the �eld of condensed-matter physics. We have introduced a quasiparticle ...picture and found that in this picture the bare EIT model in Fig. 2 (a) can be compared to a double EIT system shown in Fig. 2 (b). The quasiparticle ...energy levels consists of a particle (with positive quasiparticle energy ) and a hole (with negative quasiparticle energy) branch. The double EIT

Analysis of transient, linear wave propagation in shells by the finite difference method

NASA Technical Reports Server (NTRS)

Geers, T. L.; Sobel, L. H.

1971-01-01

The applicability of the finite difference method to propagation problems in shells, and the response of a cylindrical shell with cutouts to both longitudinal and radial transient excitations are investigated. It is found that the only inherent limitation of the finite difference method is its inability to reproduce accurately response discontinuities. The short wave length limitations of thin shell theory create significant convergence difficulties may often be overcome through proper selection of finite difference mesh dimensions and temporal or spatial smoothing of the excitation. Cutouts produce moderate changes in early and intermediate time response of a cylindrical shell to axisymmetric pulse loads applied at one end. The cutouts may facilitate the undesirable late-time transfer of load-injected extensional energy into nonaxisymmetric flexural response.

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

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

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue

Within this paper, we present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by amore » modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. Additionally, the solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.« less

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

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

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue

In this article, we present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by amore » modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.« less

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

DOE PAGES

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue; ...

2017-12-01

In this article, we present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by amore » modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.« less

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

DOE PAGES

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue; ...

2017-08-24

Within this paper, we present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by amore » modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. Additionally, the solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.« less

Unmasking the linear behaviour of slow motor adaptation to prolonged convergence.

PubMed

Erkelens, Ian M; Thompson, Benjamin; Bobier, William R

2016-06-01

Adaptation to changing environmental demands is central to maintaining optimal motor system function. Current theories suggest that adaptation in both the skeletal-motor and oculomotor systems involves a combination of fast (reflexive) and slow (recalibration) mechanisms. Here we used the oculomotor vergence system as a model to investigate the mechanisms underlying slow motor adaptation. Unlike reaching with the upper limbs, vergence is less susceptible to changes in cognitive strategy that can affect the behaviour of motor adaptation. We tested the hypothesis that mechanisms of slow motor adaptation reflect early neural processing by assessing the linearity of adaptive responses over a large range of stimuli. Using varied disparity stimuli in conflict with accommodation, the slow adaptation of tonic vergence was found to exhibit a linear response whereby the rate (R(2)  = 0.85, P < 0.0001) and amplitude (R(2)  = 0.65, P < 0.0001) of the adaptive effects increased proportionally with stimulus amplitude. These results suggest that this slow adaptive mechanism is an early neural process, implying a fundamental physiological nature that is potentially dominated by subcortical and cerebellar substrates. © 2016 Federation of European Neuroscience Societies and John Wiley & Sons Ltd.

Estimating cosmic velocity fields from density fields and tidal tensors

NASA Astrophysics Data System (ADS)

Kitaura, Francisco-Shu; Angulo, Raul E.; Hoffman, Yehuda; Gottlöber, Stefan

2012-10-01

In this work we investigate the non-linear and non-local relation between cosmological density and peculiar velocity fields. Our goal is to provide an algorithm for the reconstruction of the non-linear velocity field from the fully non-linear density. We find that including the gravitational tidal field tensor using second-order Lagrangian perturbation theory based upon an estimate of the linear component of the non-linear density field significantly improves the estimate of the cosmic flow in comparison to linear theory not only in the low density, but also and more dramatically in the high-density regions. In particular we test two estimates of the linear component: the lognormal model and the iterative Lagrangian linearization. The present approach relies on a rigorous higher order Lagrangian perturbation theory analysis which incorporates a non-local relation. It does not require additional fitting from simulations being in this sense parameter free, it is independent of statistical-geometrical optimization and it is straightforward and efficient to compute. The method is demonstrated to yield an unbiased estimator of the velocity field on scales ≳5 h-1 Mpc with closely Gaussian distributed errors. Moreover, the statistics of the divergence of the peculiar velocity field is extremely well recovered showing a good agreement with the true one from N-body simulations. The typical errors of about 10 km s-1 (1σ confidence intervals) are reduced by more than 80 per cent with respect to linear theory in the scale range between 5 and 10 h-1 Mpc in high-density regions (δ > 2). We also find that iterative Lagrangian linearization is significantly superior in the low-density regime with respect to the lognormal model.

The matrix exponential in transient structural analysis

NASA Technical Reports Server (NTRS)

Minnetyan, Levon

1987-01-01

The primary usefulness of the presented theory is in the ability to represent the effects of high frequency linear response with accuracy, without requiring very small time steps in the analysis of dynamic response. The matrix exponential contains a series approximation to the dynamic model. However, unlike the usual analysis procedure which truncates the high frequency response, the approximation in the exponential matrix solution is in the time domain. By truncating the series solution to the matrix exponential short, the solution is made inaccurate after a certain time. Yet, up to that time the solution is extremely accurate, including all high frequency effects. By taking finite time increments, the exponential matrix solution can compute the response very accurately. Use of the exponential matrix in structural dynamics is demonstrated by simulating the free vibration response of multi degree of freedom models of cantilever beams.

A study of helicopter stability and control including blade dynamics

NASA Technical Reports Server (NTRS)

Zhao, Xin; Curtiss, H. C., Jr.

1988-01-01

A linearized model of rotorcraft dynamics has been developed through the use of symbolic automatic equation generating techniques. The dynamic model has been formulated in a unique way such that it can be used to analyze a variety of rotor/body coupling problems including a rotor mounted on a flexible shaft with a number of modes as well as free-flight stability and control characteristics. Direct comparison of the time response to longitudinal, lateral and directional control inputs at various trim conditions shows that the linear model yields good to very good correlation with flight test. In particular it is shown that a dynamic inflow model is essential to obtain good time response correlation, especially for the hover trim condition. It also is shown that the main rotor wake interaction with the tail rotor and fixed tail surfaces is a significant contributor to the response at translational flight trim conditions. A relatively simple model for the downwash and sidewash at the tail surfaces based on flat vortex wake theory is shown to produce good agreement. Then, the influence of rotor flap and lag dynamics on automatic control systems feedback gain limitations is investigated with the model. It is shown that the blade dynamics, especially lagging dynamics, can severly limit the useable values of the feedback gain for simple feedback control and that multivariable optimal control theory is a powerful tool to design high gain augmentation control system. The frequency-shaped optimal control design can offer much better flight dynamic characteristics and a stable margin for the feedback system without need to model the lagging dynamics.

Application of modern control theory to the design of optimum aircraft controllers

NASA Technical Reports Server (NTRS)

Power, L. J.

1973-01-01

The synthesis procedure presented is based on the solution of the output regulator problem of linear optimal control theory for time-invariant systems. By this technique, solution of the matrix Riccati equation leads to a constant linear feedback control law for an output regulator which will maintain a plant in a particular equilibrium condition in the presence of impulse disturbances. Two simple algorithms are presented that can be used in an automatic synthesis procedure for the design of maneuverable output regulators requiring only selected state variables for feedback. The first algorithm is for the construction of optimal feedforward control laws that can be superimposed upon a Kalman output regulator and that will drive the output of a plant to a desired constant value on command. The second algorithm is for the construction of optimal Luenberger observers that can be used to obtain feedback control laws for the output regulator requiring measurement of only part of the state vector. This algorithm constructs observers which have minimum response time under the constraint that the magnitude of the gains in the observer filter be less than some arbitrary limit.

Irreversibility and entropy production in transport phenomena, III—Principle of minimum integrated entropy production including nonlinear responses

NASA Astrophysics Data System (ADS)

Suzuki, Masuo

2013-01-01

A new variational principle of steady states is found by introducing an integrated type of energy dissipation (or entropy production) instead of instantaneous energy dissipation. This new principle is valid both in linear and nonlinear transport phenomena. Prigogine’s dream has now been realized by this new general principle of minimum “integrated” entropy production (or energy dissipation). This new principle does not contradict with the Onsager-Prigogine principle of minimum instantaneous entropy production in the linear regime, but it is conceptually different from the latter which does not hold in the nonlinear regime. Applications of this theory to electric conduction, heat conduction, particle diffusion and chemical reactions are presented. The irreversibility (or positive entropy production) and long time tail problem in Kubo’s formula are also discussed in the Introduction and last section. This constitutes the complementary explanation of our theory of entropy production given in the previous papers (M. Suzuki, Physica A 390 (2011) 1904 and M. Suzuki, Physica A 391 (2012) 1074) and has given the motivation of the present investigation of variational principle.

Propagation of femtosecond laser pulses through water in the linear absorption regime.

PubMed

Naveira, Lucas M; Strycker, Benjamin D; Wang, Jieyu; Ariunbold, Gombojav O; Sokolov, Alexei V; Kattawar, George W

2009-04-01

We investigate the controversy regarding violations of the Bouguer-Lambert-Beer (BLB) law for ultrashort laser pulses propagating through water. By working at sufficiently low incident laser intensities, we make sure that any nonlinear component in the response of the medium is negligible. We measure the transmitted power and spectrum as functions of water cell length in an effort to confirm or disprove alleged deviations from the BLB law. We perform experiments at two different laser pulse repetition rates and explore the dependence of transmission on pulse duration. Specifically, we vary the laser pulse duration either by cutting its spectrum while keeping the pulse shape near transform-limited or by adjusting the pulses chirp while keeping the spectral intensities fixed. Over a wide range of parameters, we find no deviations from the BLB law and conclude that recent claims of BLB law violations are inconsistent with our experimental data. We present a simple linear theory (based on the BLB law) for propagation of ultrashort laser pulses through an absorbing medium and find our experimental results to be in excellent agreement with this theory.

The role of retinal bipolar cell in early vision: an implication with analogue networks and regularization theory.

PubMed

Yagi, T; Ohshima, S; Funahashi, Y

1997-09-01

A linear analogue network model is proposed to describe the neuronal circuit of the outer retina consisting of cones, horizontal cells, and bipolar cells. The model reflects previous physiological findings on the spatial response properties of these neurons to dim illumination and is expressed by physiological mechanisms, i.e., membrane conductances, gap-junctional conductances, and strengths of chemical synaptic interactions. Using the model, we characterized the spatial filtering properties of the bipolar cell receptive field with the standard regularization theory, in which the early vision problems are attributed to minimization of a cost function. The cost function accompanying the present characterization is derived from the linear analogue network model, and one can gain intuitive insights on how physiological mechanisms contribute to the spatial filtering properties of the bipolar cell receptive field. We also elucidated a quantitative relation between the Laplacian of Gaussian operator and the bipolar cell receptive field. From the computational point of view, the dopaminergic modulation of the gap-junctional conductance between horizontal cells is inferred to be a suitable neural adaptation mechanism for transition between photopic and mesopic vision.

Should the SCOPA-COG be modified? A Rasch analysis perspective.

PubMed

Forjaz, M J; Frades-Payo, B; Rodriguez-Blazquez, C; Ayala, A; Martinez-Martin, P

2010-02-01

The SCales for Outcomes in PArkinson's disease-Cognition (SCOPA-COG) is a specific measure of cognitive function for Parkinson's disease (PD) patients. Previous studies, under the frame of the classic test theory, indicate satisfactory psychometric properties. The Rasch model, an item response theory approach, provides new information about the scale, as well as results in a linear scale. This study aims at analysing the SCOPA-COG according to the Rasch model and, on the basis of results, suggesting modification to the SCOPA-COG. Fit to the Rasch model was analysed using a sample of 384 PD patients. A good fit was obtained after rescoring for disordered thresholds. The person separation index, a reliability measure, was 0.83. Differential item functioning was observed by age for three items and by gender for one item. The SCOPA-COG is a unidimensional measure of global cognitive function in PD patients, with good scale targeting and no empirical evidence for use of the subscale scores. Its adequate reliability and internal construct validity were supported. The SCOPA-COG, with the proposed scoring scheme, generates true linear interval scores.

Global Mittag-Leffler stability and synchronization analysis of fractional-order quaternion-valued neural networks with linear threshold neurons.

PubMed

Yang, Xujun; Li, Chuandong; Song, Qiankun; Chen, Jiyang; Huang, Junjian

2018-05-04

This paper talks about the stability and synchronization problems of fractional-order quaternion-valued neural networks (FQVNNs) with linear threshold neurons. On account of the non-commutativity of quaternion multiplication resulting from Hamilton rules, the FQVNN models are separated into four real-valued neural network (RVNN) models. Consequently, the dynamic analysis of FQVNNs can be realized by investigating the real-valued ones. Based on the method of M-matrix, the existence and uniqueness of the equilibrium point of the FQVNNs are obtained without detailed proof. Afterwards, several sufficient criteria ensuring the global Mittag-Leffler stability for the unique equilibrium point of the FQVNNs are derived by applying the Lyapunov direct method, the theory of fractional differential equation, the theory of matrix eigenvalue, and some inequality techniques. In the meanwhile, global Mittag-Leffler synchronization for the drive-response models of the addressed FQVNNs are investigated explicitly. Finally, simulation examples are designed to verify the feasibility and availability of the theoretical results. Copyright © 2018 Elsevier Ltd. All rights reserved.

Constitutive relations describing creep deformation for multi-axial time-dependent stress states

NASA Astrophysics Data System (ADS)

McCartney, L. N.

1981-02-01

A THEORY of primary and secondary creep deformation in metals is presented, which is based upon the concept of tensor internal state variables and the principles of continuum mechanics and thermodynamics. The theory is able to account for both multi-axial and time-dependent stress and strain states. The wellknown concepts of elastic, anelastic and plastic strains follow naturally from the theory. Homogeneous stress states are considered in detail and a simplified theory is derived by linearizing with respect to the internal state variables. It is demonstrated that the model can be developed in such a way that multi-axial constant-stress creep data can be presented as a single relationship between an equivalent stress and an equivalent strain. It is shown how the theory may be used to describe the multi-axial deformation of metals which are subjected to constant stress states. The multi-axial strain response to a general cyclic stress state is calculated. For uni-axial stress states, square-wave loading and a thermal fatigue stress cycle are analysed.

Excited State Studies of Polyacenes Using the All-Order Constricted Variational Density Functional Theory with Orbital Relaxation.

PubMed

Senn, Florian; Krykunov, Mykhaylo

2015-10-22

For the polyacenes series from naphthalene to hexacene, we present the vertical singlet excitation energies 1 (1)La and 1 (1)Lb, as well as the first triplet excitation energies obtained by the all-order constricted variational density functional theory with orbital relaxation (R-CV(∞)-DFT). R-CV(∞)-DFT is a further development of variational density functional theory (CV(∞)-DFT), which has already been successfully applied for the calculation of the vertical singlet excitation energies (1)La and (1)Lb for polyacenes,15 and we show that one obtains consistent excitation energies using the local density approximation as a functional for singlet as well as for triplet excitations when going beyond the linear response theory. Furthermore, we apply self-consistent field density functional theory (ΔSCF-DFT) and compare the obtained excitation energies for the first triplet excitations T1, where, due to the character of the transition, ΔSCF-DFT and R-CV(∞)-DFT become numerically equivalent, and for the singlet excitations 1 (1)La and 1 (1)Lb, where the two methods differ.

Surface plasticity: theory and computation

NASA Astrophysics Data System (ADS)

Esmaeili, A.; Steinmann, P.; Javili, A.

2017-11-01

Surfaces of solids behave differently from the bulk due to different atomic rearrangements and processes such as oxidation or aging. Such behavior can become markedly dominant at the nanoscale due to the large ratio of surface area to bulk volume. The surface elasticity theory (Gurtin and Murdoch in Arch Ration Mech Anal 57(4):291-323, 1975) has proven to be a powerful strategy to capture the size-dependent response of nano-materials. While the surface elasticity theory is well-established to date, surface plasticity still remains elusive and poorly understood. The objective of this contribution is to establish a thermodynamically consistent surface elastoplasticity theory for finite deformations. A phenomenological isotropic plasticity model for the surface is developed based on the postulated elastoplastic multiplicative decomposition of the surface superficial deformation gradient. The non-linear governing equations and the weak forms thereof are derived. The numerical implementation is carried out using the finite element method and the consistent elastoplastic tangent of the surface contribution is derived. Finally, a series of numerical examples provide further insight into the problem and elucidate the key features of the proposed theory.

Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set

NASA Astrophysics Data System (ADS)

Pemmaraju, C. D.; Vila, F. D.; Kas, J. J.; Sato, S. A.; Rehr, J. J.; Yabana, K.; Prendergast, David

2018-05-01

The interaction of laser fields with solid-state systems can be modeled efficiently within the velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT). In this article, we discuss the implementation of the velocity-gauge RT-TDDFT equations for electron dynamics within a linear combination of atomic orbitals (LCAO) basis set framework. Numerical results obtained from our LCAO implementation, for the electronic response of periodic systems to both weak and intense laser fields, are compared to those obtained from established real-space grid and Full-Potential Linearized Augmented Planewave approaches. Potential applications of the LCAO based scheme in the context of extreme ultra-violet and soft X-ray spectroscopies involving core-electronic excitations are discussed.

Open-Ended Recursive Approach for the Calculation of Multiphoton Absorption Matrix Elements

PubMed Central

2015-01-01

We present an implementation of single residues for response functions to arbitrary order using a recursive approach. Explicit expressions in terms of density-matrix-based response theory for the single residues of the linear, quadratic, cubic, and quartic response functions are also presented. These residues correspond to one-, two-, three- and four-photon transition matrix elements. The newly developed code is used to calculate the one-, two-, three- and four-photon absorption cross sections of para-nitroaniline and para-nitroaminostilbene, making this the first treatment of four-photon absorption in the framework of response theory. We find that the calculated multiphoton absorption cross sections are not very sensitive to the size of the basis set as long as a reasonably large basis set with diffuse functions is used. The choice of exchange–correlation functional, however, significantly affects the calculated cross sections of both charge-transfer transitions and other transitions, in particular, for the larger para-nitroaminostilbene molecule. We therefore recommend the use of a range-separated exchange–correlation functional in combination with the augmented correlation-consistent double-ζ basis set aug-cc-pVDZ for the calculation of multiphoton absorption properties. PMID:25821415

Index of NACA Technical Publications, 1915 - 1949

DTIC Science & Technology

1950-03-31

in Linearized Supersonic Swanson, Robert S. and Gillis, Clarence Wing Theory. TN 1767, April 1949. L.: ’Vind-Tunnel Calibration and Cor- rection...Symmetrical Joukowski Profiles.Heaslet, Max, A.; Lomax, Harvard and Rept. 621, 1938. Spreiter, John R.: Linearized Com- pressible-Flow Theory for Sonic Flight...Rept. 624, 1938. TheApplication of Green’s Theoremto the Solution of Boundary-Value Stack, John; Lindsey, W. F. and-Littell, Problems in Linearized

Meso-beta scale numerical simulation studies of terrain-induced jet streak mass/momentum perturbations

NASA Technical Reports Server (NTRS)

Lin, Yuh-Lang; Kaplan, Michael L.

1993-01-01

The first section is on 3-D numerical modeling of terrain-induced circulations and covers the following: (1) additional insights into gravity wave generation mechanisms based on the control simulation; (2) ongoing nested-grid numerical simulations; (3) work to be completed during the remainder of FY-93; and (4) work objectives for FY-94. The second section is on linear theory and theoretical modeling and covers the following: (1) the free response of a uniform barotropic flow to an initially stationary unbalanced (ageostrophic) zonal wind anomaly; and (2) the free response of a uniform barotropic flow to an initially stationary balanced zonal wind anomaly.

Spatial resolution of the electrical conductance of ionic fluids using a Green-Kubo method.

PubMed

Jones, R E; Ward, D K; Templeton, J A

2014-11-14

We present a Green-Kubo method to spatially resolve transport coefficients in compositionally heterogeneous mixtures. We develop the underlying theory based on well-known results from mixture theory, Irving-Kirkwood field estimation, and linear response theory. Then, using standard molecular dynamics techniques, we apply the methodology to representative systems. With a homogeneous salt water system, where the expectation of the distribution of conductivity is clear, we demonstrate the sensitivities of the method to system size, and other physical and algorithmic parameters. Then we present a simple model of an electrochemical double layer where we explore the resolution limit of the method. In this system, we observe significant anisotropy in the wall-normal vs. transverse ionic conductances, as well as near wall effects. Finally, we discuss extensions and applications to more realistic systems such as batteries where detailed understanding of the transport properties in the vicinity of the electrodes is of technological importance.

The spectral applications of Beer-Lambert law for some biological and dosimetric materials

NASA Astrophysics Data System (ADS)

Içelli, Orhan; Yalçin, Zeynel; Karakaya, Vatan; Ilgaz, Işıl P.

2014-08-01

The aim of this study is to conduct quantitative and qualitative analysis of biological and dosimetric materials which contain organic and inorganic materials and to make the determination by using the spectral theorem Beer-Lambert law. Beer-Lambert law is a system of linear equations for the spectral theory. It is possible to solve linear equations with a non-zero coefficient matrix determinant forming linear equations. Characteristic matrix of the linear equation with zero determinant is called point spectrum at the spectral theory.

Applicability of linearized-theory attached-flow methods to design and analysis of flap systems at low speeds for thin swept wings with sharp leading edges

NASA Technical Reports Server (NTRS)

Carlson, Harry W.; Darden, Christine M.

1987-01-01

Low-speed experimental force and data on a series of thin swept wings with sharp leading edges and leading and trailing-edge flaps are compared with predictions made using a linearized-theory method which includes estimates of vortex forces. These comparisons were made to assess the effectiveness of linearized-theory methods for use in the design and analysis of flap systems in subsonic flow. Results demonstrate that linearized-theory, attached-flow methods (with approximate representation of vortex forces) can form the basis of a rational system for flap design and analysis. Even attached-flow methods that do not take vortex forces into account can be used for the selection of optimized flap-system geometry, but design-point performance levels tend to be underestimated unless vortex forces are included. Illustrative examples of the use of these methods in the design of efficient low-speed flap systems are included.

A Density Functional Approach to Polarizable Models: A Kim-Gordon-Response Density Interaction Potential for Molecular Simulations

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

Tabacchi, G; Hutter, J; Mundy, C

2005-04-07

A combined linear response--frozen electron density model has been implemented in a molecular dynamics scheme derived from an extended Lagrangian formalism. This approach is based on a partition of the electronic charge distribution into a frozen region described by Kim-Gordon theory, and a response contribution determined by the instaneous ionic configuration of the system. The method is free from empirical pair-potentials and the parameterization protocol involves only calculations on properly chosen subsystems. They apply this method to a series of alkali halides in different physical phases and are able to reproduce experimental structural and thermodynamic properties with an accuracy comparablemore » to Kohn-Sham density functional calculations.« less

Waves and instabilities in plasmas

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

Chen, L.

1987-01-01

The contents of this book are: Plasma as a Dielectric Medium; Nyquist Technique; Absolute and Convective Instabilities; Landau Damping and Phase Mixing; Particle Trapping and Breakdown of Linear Theory; Solution of Viasov Equation via Guilding-Center Transformation; Kinetic Theory of Magnetohydrodynamic Waves; Geometric Optics; Wave-Kinetic Equation; Cutoff and Resonance; Resonant Absorption; Mode Conversion; Gyrokinetic Equation; Drift Waves; Quasi-Linear Theory; Ponderomotive Force; Parametric Instabilities; Problem Sets for Homework, Midterm and Final Examinations.

The Importance of Why: An Intelligence Approach for a Multi-Polar World

DTIC Science & Technology

2016-04-04

December 27, 2015). 12. 2 Jupiter Scientific, “Definitions of Important Terms in Chaos Theory ,” Jupiter Scientific website, http...Important Terms in Chaos Theory .” Linearizing a system is approximating a nonlinear system through the application of linear system model. 25...Complexity Theory to Anticipate Strategic Surprise,” 24. 16 M. Mitchell Waldrop, Complexity: The Emerging Science at the Edge of Order and Chaos (New

Robust global identifiability theory using potentials--Application to compartmental models.

PubMed

Wongvanich, N; Hann, C E; Sirisena, H R

2015-04-01

This paper presents a global practical identifiability theory for analyzing and identifying linear and nonlinear compartmental models. The compartmental system is prolonged onto the potential jet space to formulate a set of input-output equations that are integrals in terms of the measured data, which allows for robust identification of parameters without requiring any simulation of the model differential equations. Two classes of linear and non-linear compartmental models are considered. The theory is first applied to analyze the linear nitrous oxide (N2O) uptake model. The fitting accuracy of the identified models from differential jet space and potential jet space identifiability theories is compared with a realistic noise level of 3% which is derived from sensor noise data in the literature. The potential jet space approach gave a match that was well within the coefficient of variation. The differential jet space formulation was unstable and not suitable for parameter identification. The proposed theory is then applied to a nonlinear immunological model for mastitis in cows. In addition, the model formulation is extended to include an iterative method which allows initial conditions to be accurately identified. With up to 10% noise, the potential jet space theory predicts the normalized population concentration infected with pathogens, to within 9% of the true curve. Copyright © 2015 Elsevier Inc. All rights reserved.

Numerical Test of Analytical Theories for Perpendicular Diffusion in Small Kubo Number Turbulence

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

Heusen, M.; Shalchi, A., E-mail: husseinm@myumanitoba.ca, E-mail: andreasm4@yahoo.com

In the literature, one can find various analytical theories for perpendicular diffusion of energetic particles interacting with magnetic turbulence. Besides quasi-linear theory, there are different versions of the nonlinear guiding center (NLGC) theory and the unified nonlinear transport (UNLT) theory. For turbulence with high Kubo numbers, such as two-dimensional turbulence or noisy reduced magnetohydrodynamic turbulence, the aforementioned nonlinear theories provide similar results. For slab and small Kubo number turbulence, however, this is not the case. In the current paper, we compare different linear and nonlinear theories with each other and test-particle simulations for a noisy slab model corresponding to smallmore » Kubo number turbulence. We show that UNLT theory agrees very well with all performed test-particle simulations. In the limit of long parallel mean free paths, the perpendicular mean free path approaches asymptotically the quasi-linear limit as predicted by the UNLT theory. For short parallel mean free paths we find a Rechester and Rosenbluth type of scaling as predicted by UNLT theory as well. The original NLGC theory disagrees with all performed simulations regardless what the parallel mean free path is. The random ballistic interpretation of the NLGC theory agrees much better with the simulations, but compared to UNLT theory the agreement is inferior. We conclude that for this type of small Kubo number turbulence, only the latter theory allows for an accurate description of perpendicular diffusion.« less

The Growing Importance of Linear Algebra in Undergraduate Mathematics.

ERIC Educational Resources Information Center

Tucker, Alan

1993-01-01

Discusses the theoretical and practical importance of linear algebra. Presents a brief history of linear algebra and matrix theory and describes the place of linear algebra in the undergraduate curriculum. (MDH)

Lessons to be learned from a contentious challenge to mainstream radiobiological science (the linear no-threshold theory of genetic mutations)

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

Beyea, Jan, E-mail: jbeyea@cipi.com

There are both statistically valid and invalid reasons why scientists with differing default hypotheses can disagree in high-profile situations. Examples can be found in recent correspondence in this journal, which may offer lessons for resolving challenges to mainstream science, particularly when adherents of a minority view attempt to elevate the status of outlier studies and/or claim that self-interest explains the acceptance of the dominant theory. Edward J. Calabrese and I have been debating the historical origins of the linear no-threshold theory (LNT) of carcinogenesis and its use in the regulation of ionizing radiation. Professor Calabrese, a supporter of hormesis, hasmore » charged a committee of scientists with misconduct in their preparation of a 1956 report on the genetic effects of atomic radiation. Specifically he argues that the report mischaracterized the LNT research record and suppressed calculations of some committee members. After reviewing the available scientific literature, I found that the contemporaneous evidence overwhelmingly favored a (genetics) LNT and that no calculations were suppressed. Calabrese's claims about the scientific record do not hold up primarily because of lack of attention to statistical analysis. Ironically, outlier studies were more likely to favor supra-linearity, not sub-linearity. Finally, the claim of investigator bias, which underlies Calabrese's accusations about key studies, is based on misreading of text. Attention to ethics charges, early on, may help seed a counter narrative explaining the community's adoption of a default hypothesis and may help focus attention on valid evidence and any real weaknesses in the dominant paradigm. - Highlights: • Edward J Calabrese has made a contentious challenge to mainstream radiobiological science. • Such challenges should not be neglected, lest they enter the political arena without review. • Key genetic studies from the 1940s, challenged by Calabrese, were found consistent and unbiased. • A 1956 genetics report did not hide estimates and does not need investigation for misconduct. • The scientific record was strong for a no-threshold, linear genetic response to radiation.« less

Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations.

PubMed

Egidi, Franco; Sun, Shichao; Goings, Joshua J; Scalmani, Giovanni; Frisch, Michael J; Li, Xiaosong

2017-06-13

We present a linear response formalism for the description of the electronic excitations of a noncollinear reference defined via Kohn-Sham spin density functional methods. A set of auxiliary variables, defined using the density and noncollinear magnetization density vector, allows the generalization of spin density functional kernels commonly used in collinear DFT to noncollinear cases, including local density, GGA, meta-GGA and hybrid functionals. Working equations and derivations of functional second derivatives with respect to the noncollinear density, required in the linear response noncollinear TDDFT formalism, are presented in this work. This formalism takes all components of the spin magnetization into account independent of the type of reference state (open or closed shell). As a result, the method introduced here is able to afford a nonzero local xc torque on the spin magnetization while still satisfying the zero-torque theorem globally. The formalism is applied to a few test cases using the variational exact-two-component reference including spin-orbit coupling to illustrate the capabilities of the method.

Additive effects on the energy barrier for synaptic vesicle fusion cause supralinear effects on the vesicle fusion rate.

PubMed

Schotten, Sebastiaan; Meijer, Marieke; Walter, Alexander Matthias; Huson, Vincent; Mamer, Lauren; Kalogreades, Lawrence; ter Veer, Mirelle; Ruiter, Marvin; Brose, Nils; Rosenmund, Christian; Sørensen, Jakob Balslev; Verhage, Matthijs; Cornelisse, Lennart Niels

2015-04-14

The energy required to fuse synaptic vesicles with the plasma membrane ('activation energy') is considered a major determinant in synaptic efficacy. From reaction rate theory, we predict that a class of modulations exists, which utilize linear modulation of the energy barrier for fusion to achieve supralinear effects on the fusion rate. To test this prediction experimentally, we developed a method to assess the number of releasable vesicles, rate constants for vesicle priming, unpriming, and fusion, and the activation energy for fusion by fitting a vesicle state model to synaptic responses induced by hypertonic solutions. We show that complexinI/II deficiency or phorbol ester stimulation indeed affects responses to hypertonic solution in a supralinear manner. An additive vs multiplicative relationship between activation energy and fusion rate provides a novel explanation for previously observed non-linear effects of genetic/pharmacological perturbations on synaptic transmission and a novel interpretation of the cooperative nature of Ca(2+)-dependent release.

Flexoelectricity from density-functional perturbation theory

NASA Astrophysics Data System (ADS)

Stengel, Massimiliano

2013-11-01

We derive the complete flexoelectric tensor, including electronic and lattice-mediated effects, of an arbitrary insulator in terms of the microscopic linear response of the crystal to atomic displacements. The basic ingredient, which can be readily calculated from first principles in the framework of density-functional perturbation theory, is the quantum-mechanical probability current response to a long-wavelength acoustic phonon. Its second-order Taylor expansion in the wave vector q around the Γ (q=0) point in the Brillouin zone naturally yields the flexoelectric tensor. At order one in q we recover Martin's theory of piezoelectricity [Martin, Phys. Rev. B 5, 1607 (1972)], thus providing an alternative derivation thereof. To put our derivations on firm theoretical grounds, we perform a thorough analysis of the nonanalytic behavior of the dynamical matrix and other response functions in a vicinity of Γ. Based on this analysis, we find that there is an ambiguity in the specification of the “zero macroscopic field” condition in the flexoelectric case; such arbitrariness can be related to an analytic band-structure term, in close analogy to the theory of deformation potentials. As a by-product, we derive a rigorous generalization of the Cochran-Cowley formula [Cochran and Cowley, J. Phys. Chem. Solids 23, 447 (1962)] to higher orders in q. This can be of great utility in building reliable atomistic models of electromechanical phenomena, as well as for improving the accuracy of the calculation of phonon dispersion curves. Finally, we discuss the physical interpretation of the various contributions to the flexoelectric response, either in the static or dynamic regime, and we relate our findings to earlier theoretical works on the subject.

Unification theory of optimal life histories and linear demographic models in internal stochasticity.

PubMed

Oizumi, Ryo

2014-01-01

Life history of organisms is exposed to uncertainty generated by internal and external stochasticities. Internal stochasticity is generated by the randomness in each individual life history, such as randomness in food intake, genetic character and size growth rate, whereas external stochasticity is due to the environment. For instance, it is known that the external stochasticity tends to affect population growth rate negatively. It has been shown in a recent theoretical study using path-integral formulation in structured linear demographic models that internal stochasticity can affect population growth rate positively or negatively. However, internal stochasticity has not been the main subject of researches. Taking account of effect of internal stochasticity on the population growth rate, the fittest organism has the optimal control of life history affected by the stochasticity in the habitat. The study of this control is known as the optimal life schedule problems. In order to analyze the optimal control under internal stochasticity, we need to make use of "Stochastic Control Theory" in the optimal life schedule problem. There is, however, no such kind of theory unifying optimal life history and internal stochasticity. This study focuses on an extension of optimal life schedule problems to unify control theory of internal stochasticity into linear demographic models. First, we show the relationship between the general age-states linear demographic models and the stochastic control theory via several mathematical formulations, such as path-integral, integral equation, and transition matrix. Secondly, we apply our theory to a two-resource utilization model for two different breeding systems: semelparity and iteroparity. Finally, we show that the diversity of resources is important for species in a case. Our study shows that this unification theory can address risk hedges of life history in general age-states linear demographic models.

A Scaling Model for the Anthropocene Climate Variability with Projections to 2100

NASA Astrophysics Data System (ADS)

Hébert, Raphael; Lovejoy, Shaun

2017-04-01

The determination of the climate sensitivity to radiative forcing is a fundamental climate science problem with important policy implications. We use a scaling model, with a limited set of parameters, which can directly calculate the forced globally-average surface air temperature response to anthropogenic and natural forcings. At timescales larger than an inner scale τ, which we determine as the ocean-atmosphere coupling scale at around 2 years, the global system responds, approximately, linearly, so that the variability may be decomposed into additive forced and internal components. The Ruelle response theory extends the classical linear response theory for small perturbations to systems far from equilibrium. Our model thus relates radiative forcings to a forced temperature response by convolution with a suitable Green's function, or climate response function. Motivated by scaling symmetries which allow for long range dependence, we assume a general scaling form, a scaling climate response function (SCRF) which is able to produce a wide range of responses: a power-law truncated at τ. This allows us to analytically calculate the climate sensitivity at different time scales, yielding a one-to-one relation from the transient climate response to the equilibrium climate sensitivity which are estimated, respectively, as 1.6+0.3-0.2K and 2.4+1.3-0.6K at the 90 % confidence level. The model parameters are estimated within a Bayesian framework, with a fractional Gaussian noise error model as the internal variability, from forcing series, instrumental surface temperature datasets and CMIP5 GCMs Representative Concentration Pathways (RCP) scenario runs. This observation based model is robust and projections for the coming century are made following the RCP scenario 2.6, 4.5 and 8.5, yielding in the year 2100, respectively : 1.5 +0.3)_{-0.2K, 2.3 ± 0.4 K and 4.0 ± 0.6 K at the 90 % confidence level. For comparison, the associated projections from a CMIP5 multi-model ensemble(MME) (32 models) are: 1.7 ± 0.8 K, 2.6 ± 0.8 K and 4.8 ± 1.3 K. Therefore, our projection uncertainty is less than half the structural uncertainty of this CMIP5 MME.

Modules as Learning Tools in Linear Algebra

ERIC Educational Resources Information Center

Cooley, Laurel; Vidakovic, Draga; Martin, William O.; Dexter, Scott; Suzuki, Jeff; Loch, Sergio

2014-01-01

This paper reports on the experience of STEM and mathematics faculty at four different institutions working collaboratively to integrate learning theory with curriculum development in a core undergraduate linear algebra context. The faculty formed a Professional Learning Community (PLC) with a focus on learning theories in mathematics and…

Electrical Conductivity of Charged Particle Systems and Zubarev's Nonequilibrium Statistical Operator Method

NASA Astrophysics Data System (ADS)

Röpke, G.

2018-01-01

One of the fundamental problems in physics that are not yet rigorously solved is the statistical mechanics of nonequilibrium processes. An important contribution to describing irreversible behavior starting from reversible Hamiltonian dynamics was given by D. N. Zubarev, who invented the method of the nonequilibrium statistical operator. We discuss this approach, in particular, the extended von Neumann equation, and as an example consider the electrical conductivity of a system of charged particles. We consider the selection of the set of relevant observables. We show the relation between kinetic theory and linear response theory. Using thermodynamic Green's functions, we present a systematic treatment of correlation functions, but the convergence needs investigation. We compare different expressions for the conductivity and list open questions.

Predictors of Adolescents’ Health- promoting Behaviors Guided by Primary Socialization Theory

PubMed Central

Rew, Lynn; Arheart, Kristopher L.; Thompson, Sanna; Johnson, Karen

2013-01-01

Purpose The purpose of this study was to determine the influence of parents and peers on adolescents’ health-promoting behaviors, framed by Primary Socialization Theory. Design and Method Longitudinal data collected annually from 1,081 rural youth (mean age = 17 ±.7; 43.5% males; 44% Hispanic) and once from their parents were analyzed using generalized linear models. Results Parental monitoring and adolescent’s religious commitment significantly predicted all health-promoting behaviors (nutrition, physical activity, safety, health practices awareness, stress management). Other statistically significant predictors were parent’s responsiveness and health-promoting behaviors. Peer influence predicted safety and stress management. Practice Implications Nurses may facilitate adolescents’ development of health-promoting behaviors through family-focused interventions. PMID:24094123

GW electronic Correlations in Quantum Transport : Renormalization and finite lifetime effects on real systems

NASA Astrophysics Data System (ADS)

Darancet, Pierre; Ferretti, Andrea; Mayou, Didier; Olevano, Valerio

2007-03-01

We present an ab initio approach to electronic transport in nanoscale systems which includes electronic correlations through the GW approximation. With respect to Landauer approaches based on density-functional theory (DFT), we introduce a physical quasiparticle electronic-structure into a non-equilibrium Green's function theory framework. We use an equilibrium non-selfconsistent G^0W^0 self-energy considering both full non-hermiticity and dynamical effects. The method is applied to a real system, a gold mono-atomic chain. With respect to DFT results, the conductance profile is modified and reduced by to the introduction of diffusion and loss-of-coherence effects. The linear response conductance characteristic appear to be in agreement with experimental results.

Calculation of the distributed loads on the blades of individual multiblade propellers in axial flow using linear and nonlinear lifting surface theories

NASA Technical Reports Server (NTRS)

Pesetskaya, N. N.; Timofeev, I. YA.; Shipilov, S. D.

1988-01-01

In recent years much attention has been given to the development of methods and programs for the calculation of the aerodynamic characteristics of multiblade, saber-shaped air propellers. Most existing methods are based on the theory of lifting lines. Elsewhere, the theory of a lifting surface is used to calculate screw and lifting propellers. In this work, methods of discrete eddies are described for the calculation of the aerodynamic characteristics of propellers using the linear and nonlinear theories of lifting surfaces.

A quantum description of linear, and non-linear optical interactions in arrays of plasmonic nanoparticles

NASA Astrophysics Data System (ADS)

Arabahmadi, Ehsan; Ahmadi, Zabihollah; Rashidian, Bizhan

2018-06-01

A quantum theory for describing the interaction of photons and plasmons, in one- and two-dimensional arrays is presented. Ohmic losses and inter-band transitions are not considered. We use macroscopic approach, and quantum field theory methods including S-matrix expansion, and Feynman diagrams for this purpose. Non-linear interactions are also studied, and increasing the probability of such interactions, and its application are also discussed.

Ab Initio Theory of Nuclear Magnetic Resonance Shifts in Metals

NASA Astrophysics Data System (ADS)

D'Avezac, Mayeul; Marzari, Nicola; Mauri, Francesco

2005-03-01

A comprehensive approach for the first-principles determination of all-electron NMR shifts in metallic systems is presented. Our formulation is based on a combination of density-functional perturbation theory and all-electron wavefunction reconstruction, starting from periodic-boundary calculations in the pseudopotential approximation. The orbital contribution to the NMR shift (the chemical shift) is obtained by combining the gauge-including projector augmented-wave approach (GIPAW), originally developed for the case of insulatorsootnotetextC. J. Pickard, Francesco Mauri, Phys. Rev. B, 63, 245101(2001), with the extension of linear-response theory to the case of metallic systemsootnotetextS. de Gironcoli, Phys. Rev. B, 51, 6773(1995). The spin contribution (the Knight shift) is obtained as a response to a finite uniform magnetic field, and through reconstructing the hyperfine interaction between the electron-spin density and the nuclear spins with the projector augmented-wave method (PAWootnotetextC. G. Van de Walle, P. E. Blöchl, Phys. Rev. B, 47, 4244(1993)). Our method is validated with applications to the case of the homogeneous electron gas and of simple metals. (Work supported by MURI grant DAAD 19-03-1-0169 and MIT-France)

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

NASA Technical Reports Server (NTRS)

Smiley, Robert F

1957-01-01

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

Fractional representation theory - Robustness results with applications to finite dimensional control of a class of linear distributed systems

NASA Technical Reports Server (NTRS)

Nett, C. N.; Jacobson, C. A.; Balas, M. J.

1983-01-01

This paper reviews and extends the fractional representation theory. In particular, new and powerful robustness results are presented. This new theory is utilized to develop a preliminary design methodology for finite dimensional control of a class of linear evolution equations on a Banach space. The design is for stability in an input-output sense, but particular attention is paid to internal stability as well.

When is quasi-linear theory exact. [particle acceleration

NASA Technical Reports Server (NTRS)

Jones, F. C.; Birmingham, T. J.

1975-01-01

We use the cumulant expansion technique of Kubo (1962, 1963) to derive an integrodifferential equation for the average one-particle distribution function for particles being accelerated by electric and magnetic fluctuations of a general nature. For a very restricted class of fluctuations, the equation for this function degenerates exactly to a differential equation of Fokker-Planck type. Quasi-linear theory, including the adiabatic assumption, is an exact theory only for this limited class of fluctuations.

FAST TRACK COMMUNICATION: Quantum anomalies and linear response theory

NASA Astrophysics Data System (ADS)

Sela, Itamar; Aisenberg, James; Kottos, Tsampikos; Cohen, Doron

2010-08-01

The analysis of diffusive energy spreading in quantized chaotic driven systems leads to a universal paradigm for the emergence of a quantum anomaly. In the classical approximation, a driven chaotic system exhibits stochastic-like diffusion in energy space with a coefficient D that is proportional to the intensity ɛ2 of the driving. In the corresponding quantized problem the coherent transitions are characterized by a generalized Wigner time tɛ, and a self-generated (intrinsic) dephasing process leads to nonlinear dependence of D on ɛ2.

Unique magnetic and thermoelectric properties of chemically functionalized narrow carbon polymers.

PubMed

Zberecki, K; Wierzbicki, M; Swirkowicz, R; Barnaś, J

2017-02-01

We analyze magnetic, transport and thermoelectric properties of narrow carbon polymers, which are chemically functionalized with nitroxide groups. Numerical calculations of the electronic band structure and the corresponding transmission function are based on density functional theory. Transport and thermoelectric parameters are calculated in the linear response regime, with particular interest in charge and spin thermopowers (charge and spin Seebeck effects). Such nanoribbons are shown to have thermoelectric properties described by large thermoelectric efficiency, which makes these materials promising from the application point of view.

Solving the two-dimensional Fokker-Planck equation for strongly correlated neurons

NASA Astrophysics Data System (ADS)

Deniz, Taşkın; Rotter, Stefan

2017-01-01

Pairs of neurons in brain networks often share much of the input they receive from other neurons. Due to essential nonlinearities of the neuronal dynamics, the consequences for the correlation of the output spike trains are generally not well understood. Here we analyze the case of two leaky integrate-and-fire neurons using an approach which is nonperturbative with respect to the degree of input correlation. Our treatment covers both weakly and strongly correlated dynamics, generalizing previous results based on linear response theory.

A Thermodynamic Theory Of Solid Viscoelasticity. Part 1: Linear Viscoelasticity.

NASA Technical Reports Server (NTRS)

Freed, Alan D.; Leonov, Arkady I.

2002-01-01

The present series of three consecutive papers develops a general theory for linear and finite solid viscoelasticity. Because the most important object for nonlinear studies are rubber-like materials, the general approach is specified in a form convenient for solving problems important for many industries that involve rubber-like materials. General linear and nonlinear theories for non-isothermal deformations of viscoelastic solids are developed based on the quasi-linear approach of non-equilibrium thermodynamics. In this, the first paper of the series, we analyze non-isothermal linear viscoelasticity, which is applicable in a range of small strains not only to all synthetic polymers and bio-polymers but also to some non-polymeric materials. Although the linear case seems to be well developed, there still are some reasons to implement a thermodynamic derivation of constitutive equations for solid-like, non-isothermal, linear viscoelasticity. The most important is the thermodynamic modeling of thermo-rheological complexity , i.e. different temperature dependences of relaxation parameters in various parts of relaxation spectrum. A special structure of interaction matrices is established for different physical mechanisms contributed to the normal relaxation modes. This structure seems to be in accord with observations, and creates a simple mathematical framework for both continuum and molecular theories of the thermo-rheological complex relaxation phenomena. Finally, a unified approach is briefly discussed that, in principle, allows combining both the long time (discrete) and short time (continuous) descriptions of relaxation behaviors for polymers in the rubbery and glassy regions.

Linear dependence between the wavefront gradient and the masked intensity for the point source with a CCD sensor

NASA Astrophysics Data System (ADS)

Yang, Huizhen; Ma, Liang; Wang, Bin

2018-01-01

In contrast to the conventional adaptive optics (AO) system, the wavefront sensorless (WFSless) AO system doesn't need a WFS to measure the wavefront aberrations. It is simpler than the conventional AO in system architecture and can be applied to the complex conditions. The model-based WFSless system has a great potential in real-time correction applications because of its fast convergence. The control algorithm of the model-based WFSless system is based on an important theory result that is the linear relation between the Mean-Square Gradient (MSG) magnitude of the wavefront aberration and the second moment of the masked intensity distribution in the focal plane (also called as Masked Detector Signal-MDS). The linear dependence between MSG and MDS for the point source imaging with a CCD sensor will be discussed from theory and simulation in this paper. The theory relationship between MSG and MDS is given based on our previous work. To verify the linear relation for the point source, we set up an imaging model under atmospheric turbulence. Additionally, the value of MDS will be deviate from that of theory because of the noise of detector and further the deviation will affect the correction effect. The theory results under noise will be obtained through theoretical derivation and then the linear relation between MDS and MDS under noise will be discussed through the imaging model. Results show the linear relation between MDS and MDS under noise is also maintained well, which provides a theoretical support to applications of the model-based WFSless system.

The "Chaos" Pattern in Piaget's Theory of Cognitive Development.

ERIC Educational Resources Information Center

Lindsay, Jean S.

Piaget's theory of the cognitive development of the child is related to the recently developed non-linear "chaos" model. The term "chaos" refers to the tendency of dynamical, non-linear systems toward irregular, sometimes unpredictable, deterministic behavior. Piaget identified this same pattern in his model of cognitive…

Are All Non-Linear Systems (Approx.) Bilinear,

DTIC Science & Technology

1977-06-01

There is a rumor going around in mathematical system theory circles that all non-linear systems are bilinear or nearly so. This note examines the...case for such an assertion and finds it wanting and en passant, offers some comments on the current proliferation of mathematical literature on system theory .

Linear kinetic theory and particle transport in stochastic mixtures

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

Pomraning, G.C.

We consider the formulation of linear transport and kinetic theory describing energy and particle flow in a random mixture of two or more immiscible materials. Following an introduction, we summarize early and fundamental work in this area, and we conclude with a brief discussion of recent results.

Modeling of classical swirl injector dynamics

NASA Astrophysics Data System (ADS)

Ismailov, Maksud M.

The knowledge of the dynamics of a swirl injector is crucial in designing a stable liquid rocket engine. Since the swirl injector is a complex fluid flow device in itself, not much work has been conducted to describe its dynamics either analytically or by using computational fluid dynamics techniques. Even the experimental observation is limited up to date. Thus far, there exists an analytical linear theory by Bazarov [1], which is based on long-wave disturbances traveling on the free surface of the injector core. This theory does not account for variation of the nozzle reflection coefficient as a function of disturbance frequency, and yields a response function which is strongly dependent on the so called artificial viscosity factor. This causes an uncertainty in designing an injector for the given operational combustion instability frequencies in the rocket engine. In this work, the author has studied alternative techniques to describe the swirl injector response, both analytically and computationally. In the analytical part, by using the linear small perturbation analysis, the entire phenomenon of unsteady flow in swirl injectors is dissected into fundamental components, which are the phenomena of disturbance wave refraction and reflection, and vortex chamber resonance. This reveals the nature of flow instability and the driving factors leading to maximum injector response. In the computational part, by employing the nonlinear boundary element method (BEM), the author sets the boundary conditions such that they closely simulate those in the analytical part. The simulation results then show distinct peak responses at frequencies that are coincident with those resonant frequencies predicted in the analytical part. Moreover, a cold flow test of the injector related to this study also shows a clear growth of instability with its maximum amplitude at the first fundamental frequency predicted both by analytical methods and BEM. It shall be noted however that Bazarov's theory does not predict the resonant peaks. Overall this methodology provides clearer understanding of the injector dynamics compared to Bazarov's. Even though the exact value of response is not possible to obtain at this stage of theoretical, computational, and experimental investigation, this methodology sets the starting point from where the theoretical description of reflection/refraction, resonance, and their interaction between each other may be refined to higher order to obtain its more precise value.

Controlling Flexible Manipulators, an Experimental Investigation. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Hastings, Gordon Greene

1986-01-01

Lightweight, slender manipulators offer faster response and/or greater workspace range for the same size actuators than tradional manipulators. Lightweight construction of manipulator links results in increased structural flexibility. The increase flexibility must be considered in the design of control systems to properly account for the dynamic flexible vibrations and static deflections. Real time control of the flexible manipulator vibrations are experimentally investigated. Models intended for real-time control of distributed parameter system such as flexible manipulators rely on model approximation schemes. An linear model based on the application of Lagrangian dynamics to a rigid body mode and a series of separable flexible modes is examined with respect to model order requirements, and modal candidate selection. Balanced realizations are applied to the linear flexible model to obtain an estimate of appropriate order for a selected model. Describing the flexible deflections as a linear combination of modes results in measurements of beam state, which yield information about several modes. To realize the potential of linear systems theory, knowledge of each state must be available. State estimation is also accomplished by implementation of a Kalman Filter. State feedback control laws are implemented based upon linear quadratic regulator design.

Four-component relativistic calculations in solution with the polarizable continuum model of solvation: theory, implementation, and application to the group 16 dihydrides H2X (X = O, S, Se, Te, Po).

PubMed

Remigio, Roberto Di; Bast, Radovan; Frediani, Luca; Saue, Trond

2015-05-28

We present a formulation of four-component relativistic self-consistent field (SCF) theory for a molecular solute described within the framework of the polarizable continuum model (PCM) for solvation. The linear response function for a four-component PCM-SCF state is also derived, as well as the explicit form of the additional contributions to the first-order response equations. The implementation of such a four-component PCM-SCF model, as carried out in a development version of the DIRAC program package, is documented. In particular, we present the newly developed application programming interface PCMSolver used in the actual implementation with DIRAC. To demonstrate the applicability of the approach, we present and analyze calculations of solvation effects on the geometries, electric dipole moments, and static electric dipole polarizabilities for the group 16 dihydrides H2X (X = O, S, Se, Te, Po).

Noncontact viscoelastic measurement of polymer thin films in a liquid medium using a long-needle AFM

NASA Astrophysics Data System (ADS)

Guan, Dongshi; Barraud, Chloe; Charlaix, Elisabeth; Tong, Penger

We report noncontact measurement of the viscoelastic property of polymer thin films in a liquid medium using frequency-modulation atomic force microscopy (FM-AFM) with a newly developed long-needle probe. The probe contains a long vertical glass fiber with one end adhered to a cantilever beam and the other end with a sharp tip placed near the liquid-film interface. The nanoscale flow generated by the resonant oscillation of the needle tip provides a precise hydrodynamic force acting on the soft surface of the thin film. By accurately measuring the mechanical response of the thin film, we obtain the elastic and loss moduli of the thin film using the linear response theory of elasto-hydrodynamics. The experiment verifies the theory and demonstrates its applications. The technique can be used to accurately measure the viscoelastic property of soft surfaces, such as those made of polymers, nano-bubbles, live cells and tissues. This work was supported by the Research Grants Council of Hong Kong SAR.

An exact solution for the history-dependent material and delamination behavior of laminated plates subjected to cylindrical bending

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

Williams, Todd O

2009-01-01

The exact solution for the history-dependent behavior of laminated plates subjected to cylindrical bending is presented. The solution represents the extension of Pagano's solution to consider arbitrary types of constitutive behaviors for the individual lamina as well as arbitrary types of cohesive zones models for delamination behavior. Examples of the possible types of material behavior are plasticity, viscoelasticity, viscoplasticity, and damaging. Examples of possible CZMs that can be considered are linear, nonlinear hardening, as well as nonlinear with softening. The resulting solution is intended as a benchmark solution for considering the predictive capabilities of different plate theories. Initial results aremore » presented for several types of history-dependent material behaviors. It is shown that the plate response in the presence of history-dependent behaviors can differ dramatically from the elastic response. These results have strong implications for what constitutes an appropriate plate theory for modeling such behaviors.« less

Zero-field magnetic response functions in Landau levels

PubMed Central

Gao, Yang; Niu, Qian

2017-01-01

We present a fresh perspective on the Landau level quantization rule; that is, by successively including zero-field magnetic response functions at zero temperature, such as zero-field magnetization and susceptibility, the Onsager’s rule can be corrected order by order. Such a perspective is further reinterpreted as a quantization of the semiclassical electron density in solids. Our theory not only reproduces Onsager’s rule at zeroth order and the Berry phase and magnetic moment correction at first order but also explains the nature of higher-order corrections in a universal way. In applications, those higher-order corrections are expected to curve the linear relation between the level index and the inverse of the magnetic field, as already observed in experiments. Our theory then provides a way to extract the correct value of Berry phase as well as the magnetic susceptibility at zero temperature from Landau level fan diagrams in experiments. Moreover, it can be used theoretically to calculate Landau levels up to second-order accuracy for realistic models. PMID:28655849

Sound waves and flexural mode dynamics in two-dimensional crystals

NASA Astrophysics Data System (ADS)

Michel, K. H.; Scuracchio, P.; Peeters, F. M.

2017-09-01

Starting from a Hamiltonian with anharmonic coupling between in-plane acoustic displacements and out-of-plane (flexural) modes, we derived coupled equations of motion for in-plane displacements correlations and flexural mode density fluctuations. Linear response theory and time-dependent thermal Green's functions techniques are applied in order to obtain different response functions. As external perturbations we allow for stresses and thermal heat sources. The displacement correlations are described by a Dyson equation where the flexural density distribution enters as an additional perturbation. The flexural density distribution satisfies a kinetic equation where the in-plane lattice displacements act as a perturbation. In the hydrodynamic limit this system of coupled equations is at the basis of a unified description of elastic and thermal phenomena, such as isothermal versus adiabatic sound motion and thermal conductivity versus second sound. The general theory is formulated in view of application to graphene, two-dimensional h-BN, and 2H-transition metal dichalcogenides and oxides.

Development of Curved-Plate Elements for the Exact Buckling Analysis of Composite Plate Assemblies Including Transverse-Shear Effects

NASA Technical Reports Server (NTRS)

McGowan, David Michael

1997-01-01

The analytical formulation of curved-plate non-linear equilibrium equations including transverse-shear-deformation effects is presented. The formulation uses the principle of virtual work. A unified set of non-linear strains that contains terms from both physical and tensorial strain measures is used. Linearized, perturbed equilibrium equations (stability equations) that describe the response of the plate just after buckling occurs are then derived after the application of several simplifying assumptions. These equations are then modified to allow the reference surface of the plate to be located at a distance z(sub c) from the centroidal surface. The implementation of the new theory into the VICONOPT exact buckling and vibration analysis and optimum design computer program is described as well. The terms of the plate stiffness matrix using both Classical Plate Theory (CPT) and first-order Shear-Deformation Plate Theory (SDPT) are presented. The necessary steps to include the effects of in-plane transverse and in-plane shear loads in the in-plane stability equations are also outlined. Numerical results are presented using the newly implemented capability. Comparisons of results for several example problems with different loading states are made. Comparisons of analyses using both physical and tensorial strain measures as well as CPT and SDPF are also made. Results comparing the computational effort required by the new analysis to that of the analysis currently in the VICONOPT program are presented. The effects of including terms related to in-plane transverse and in-plane shear loadings in the in-plane stability equations are also examined. Finally, results of a design-optimization study of two different cylindrical shells subject to uniform axial compression are presented.

Resource Theory of Superposition

NASA Astrophysics Data System (ADS)

Theurer, T.; Killoran, N.; Egloff, D.; Plenio, M. B.

2017-12-01

The superposition principle lies at the heart of many nonclassical properties of quantum mechanics. Motivated by this, we introduce a rigorous resource theory framework for the quantification of superposition of a finite number of linear independent states. This theory is a generalization of resource theories of coherence. We determine the general structure of operations which do not create superposition, find a fundamental connection to unambiguous state discrimination, and propose several quantitative superposition measures. Using this theory, we show that trace decreasing operations can be completed for free which, when specialized to the theory of coherence, resolves an outstanding open question and is used to address the free probabilistic transformation between pure states. Finally, we prove that linearly independent superposition is a necessary and sufficient condition for the faithful creation of entanglement in discrete settings, establishing a strong structural connection between our theory of superposition and entanglement theory.

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

Escartín, J. M.; CNRS, UMR5152, F-31062 Toulouse Cedex; Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, J.J. Thomson Avenue, Cambridge CB3 0HE

Time-Dependent Density-Functional Theory (TDDFT) is a well-established theoretical approach to describe and understand irradiation processes in clusters and molecules. However, within the so-called adiabatic local density approximation (ALDA) to the exchange-correlation (xc) potential, TDDFT can show insufficiencies, particularly in violently dynamical processes. This is because within ALDA the xc potential is instantaneous and is a local functional of the density, which means that this approximation neglects memory effects and long-range effects. A way to go beyond ALDA is to use Time-Dependent Current-Density-Functional Theory (TDCDFT), in which the basic quantity is the current density rather than the density as in TDDFT.more » This has been shown to offer an adequate account of dissipation in the linear domain when the Vignale-Kohn (VK) functional is used. Here, we go beyond the linear regime and we explore this formulation in the time domain. In this case, the equations become very involved making the computation out of reach; we hence propose an approximation to the VK functional which allows us to calculate the dynamics in real time and at the same time to keep most of the physics described by the VK functional. We apply this formulation to the calculation of the time-dependent dipole moment of Ca, Mg and Na{sub 2}. Our results show trends similar to what was previously observed in model systems or within linear response. In the non-linear domain, our results show that relaxation times do not decrease with increasing deposited excitation energy, which sets some limitations to the practical use of TDCDFT in such a domain of excitations.« less

Linear network representation of multistate models of transport.

PubMed Central

Sandblom, J; Ring, A; Eisenman, G

1982-01-01

By introducing external driving forces in rate-theory models of transport we show how the Eyring rate equations can be transformed into Ohm's law with potentials that obey Kirchhoff's second law. From such a formalism the state diagram of a multioccupancy multicomponent system can be directly converted into linear network with resistors connecting nodal (branch) points and with capacitances connecting each nodal point with a reference point. The external forces appear as emf or current generators in the network. This theory allows the algebraic methods of linear network theory to be used in solving the flux equations for multistate models and is particularly useful for making proper simplifying approximation in models of complex membrane structure. Some general properties of linear network representation are also deduced. It is shown, for instance, that Maxwell's reciprocity relationships of linear networks lead directly to Onsager's relationships in the near equilibrium region. Finally, as an example of the procedure, the equivalent circuit method is used to solve the equations for a few transport models. PMID:7093425

On some problems in a theory of thermally and mechanically interacting continuous media. Ph.D. Thesis; [linearized theory of interacting mixture of elastic solid and viscous fluid

NASA Technical Reports Server (NTRS)

Lee, Y. M.

1971-01-01

Using a linearized theory of thermally and mechanically interacting mixture of linear elastic solid and viscous fluid, we derive a fundamental relation in an integral form called a reciprocity relation. This reciprocity relation relates the solution of one initial-boundary value problem with a given set of initial and boundary data to the solution of a second initial-boundary value problem corresponding to a different initial and boundary data for a given interacting mixture. From this general integral relation, reciprocity relations are derived for a heat-conducting linear elastic solid, and for a heat-conducting viscous fluid. An initial-boundary value problem is posed and solved for the mixture of linear elastic solid and viscous fluid. With the aid of the Laplace transform and the contour integration, a real integral representation for the displacement of the solid constituent is obtained as one of the principal results of the analysis.

Inductional Effects in a Halbach Magnet Motion Above Distributed Inductance

NASA Astrophysics Data System (ADS)

Tchatchoua, Yves; Conrow, Ary; Kim, Dong; Morgan, Daniel; Majewski, Walerian; Zafar, Zaeema

2013-03-01

We experimented with attempts to levitate a linear (bar) Halbach array of five 1'' Nd magnets above a linear inductive track. Next, in order to achieve a control over the relative velocity, we designed a different experiment. In it a large wheel with circumferentially positioned along its rim inducting coils rotates, while the magnet is suspended directly above the rim of the wheel on a force sensor. Faraday's Law with the Lenz's Rule is responsible for the lifting and drag forces on the magnet; the horizontal drag force is measured by another force sensor. Approximating the magnet's linear relative motion over inductors with a motion along a large circle, we may use formulas derived earlier in the literature for linear inductive levitation. We measured lift and drag forces as functions of relative velocity of the Halbach magnet and the inductive ``track,'' in an approximate agreement with the existing theory. We then vary the inductance and shape of the inductive elements to find the most beneficial choice for the lift/drag ratio at the lowest relative speed.

Distribution of Orientation Selectivity in Recurrent Networks of Spiking Neurons with Different Random Topologies

PubMed Central

Sadeh, Sadra; Rotter, Stefan

2014-01-01

Neurons in the primary visual cortex are more or less selective for the orientation of a light bar used for stimulation. A broad distribution of individual grades of orientation selectivity has in fact been reported in all species. A possible reason for emergence of broad distributions is the recurrent network within which the stimulus is being processed. Here we compute the distribution of orientation selectivity in randomly connected model networks that are equipped with different spatial patterns of connectivity. We show that, for a wide variety of connectivity patterns, a linear theory based on firing rates accurately approximates the outcome of direct numerical simulations of networks of spiking neurons. Distance dependent connectivity in networks with a more biologically realistic structure does not compromise our linear analysis, as long as the linearized dynamics, and hence the uniform asynchronous irregular activity state, remain stable. We conclude that linear mechanisms of stimulus processing are indeed responsible for the emergence of orientation selectivity and its distribution in recurrent networks with functionally heterogeneous synaptic connectivity. PMID:25469704

Probability theory, not the very guide of life.

PubMed

Juslin, Peter; Nilsson, Håkan; Winman, Anders

2009-10-01

Probability theory has long been taken as the self-evident norm against which to evaluate inductive reasoning, and classical demonstrations of violations of this norm include the conjunction error and base-rate neglect. Many of these phenomena require multiplicative probability integration, whereas people seem more inclined to linear additive integration, in part, at least, because of well-known capacity constraints on controlled thought. In this article, the authors show with computer simulations that when based on approximate knowledge of probabilities, as is routinely the case in natural environments, linear additive integration can yield as accurate estimates, and as good average decision returns, as estimates based on probability theory. It is proposed that in natural environments people have little opportunity or incentive to induce the normative rules of probability theory and, given their cognitive constraints, linear additive integration may often offer superior bounded rationality.

Atomic theory of viscoelastic response and memory effects in metallic glasses

NASA Astrophysics Data System (ADS)

Cui, Bingyu; Yang, Jie; Qiao, Jichao; Jiang, Minqiang; Dai, Lanhong; Wang, Yun-Jiang; Zaccone, Alessio

2017-09-01

An atomic-scale theory of the viscoelastic response of metallic glasses is derived from first principles, using a Zwanzig-Caldeira-Leggett system-bath Hamiltonian as a starting point within the framework of nonaffine linear response to mechanical deformation. This approach provides a generalized Langevin equation (GLE) as the average equation of motion for an atom or ion in the material, from which non-Markovian nonaffine viscoelastic moduli are extracted. These can be evaluated using the vibrational density of states (DOS) as input, where the boson peak plays a prominent role in the mechanics. To compare with experimental data for binary ZrCu alloys, a numerical DOS was obtained from simulations of this system, which also take electronic degrees of freedom into account via the embedded-atom method for the interatomic potential. It is shown that the viscoelastic α -relaxation, including the α -wing asymmetry in the loss modulus, can be very well described by the theory if the memory kernel (the non-Markovian friction) in the GLE is taken to be a stretched-exponential decaying function of time. This finding directly implies strong memory effects in the atomic-scale dynamics and suggests that the α -relaxation time is related to the characteristic time scale over which atoms retain memory of their previous collision history. This memory time grows dramatically below the glass transition.

High-Fidelity Generalization Method of Cells for Inelastic Periodic Multiphase Materials

NASA Technical Reports Server (NTRS)

Aboudi, Jacob; Pindera, Marek-Jerzy; Arnold, Steven M.

2002-01-01

An extension of a recently-developed linear thermoelastic theory for multiphase periodic materials is presented which admits inelastic behavior of the constituent phases. The extended theory is capable of accurately estimating both the effective inelastic response of a periodic multiphase composite and the local stress and strain fields in the individual phases. The model is presently limited to materials characterized by constituent phases that are continuous in one direction, but arbitrarily distributed within the repeating unit cell which characterizes the material's periodic microstructure. The model's analytical framework is based on the homogenization technique for periodic media, but the method of solution for the local displacement and stress fields borrows concepts previously employed by the authors in constructing the higher-order theory for functionally graded materials, in contrast with the standard finite-element solution method typically used in conjunction with the homogenization technique. The present approach produces a closed-form macroscopic constitutive equation for a periodic multiphase material valid for both uniaxial and multiaxial loading. The model's predictive accuracy in generating both the effective inelastic stress-strain response and the local stress said inelastic strain fields is demonstrated by comparison with the results of an analytical inelastic solution for the axisymmetric and axial shear response of a unidirectional composite based on the concentric cylinder model, and with finite-element results for transverse loading.

Regimes of heating and dynamical response in driven many-body localized systems

NASA Astrophysics Data System (ADS)

Gopalakrishnan, Sarang; Knap, Michael; Demler, Eugene

2016-09-01

We explore the response of many-body localized (MBL) systems to periodic driving of arbitrary amplitude, focusing on the rate at which they exchange energy with the drive. To this end, we introduce an infinite-temperature generalization of the effective "heating rate" in terms of the spread of a random walk in energy space. We compute this heating rate numerically and estimate it analytically in various regimes. When the drive amplitude is much smaller than the frequency, this effective heating rate is given by linear response theory with a coefficient that is proportional to the optical conductivity; in the opposite limit, the response is nonlinear and the heating rate is a nontrivial power law of time. We discuss the mechanisms underlying this crossover in the MBL phase. We comment on implications for the subdiffusive thermal phase near the MBL transition, and for response in imperfectly isolated MBL systems.

Theoretical foundations of apparent-damping phenomena and nearly irreversible energy exchange in linear conservative systems.

PubMed

Carcaterra, A; Akay, A

2007-04-01

This paper discusses a class of unexpected irreversible phenomena that can develop in linear conservative systems and provides a theoretical foundation that explains the underlying principles. Recent studies have shown that energy can be introduced to a linear system with near irreversibility, or energy within a system can migrate to a subsystem nearly irreversibly, even in the absence of dissipation, provided that the system has a particular natural frequency distribution. The present work introduces a general theory that provides a mathematical foundation and a physical explanation for the near irreversibility phenomena observed and reported in previous publications. Inspired by the properties of probability distribution functions, the general formulation developed here is based on particular properties of harmonic series, which form the common basis of linear dynamic system models. The results demonstrate the existence of a special class of linear nondissipative dynamic systems that exhibit nearly irreversible energy exchange and possess a decaying impulse response. In addition to uncovering a new class of dynamic system properties, the results have far-reaching implications in engineering applications where classical vibration damping or absorption techniques may not be effective. Furthermore, the results also support the notion of nearly irreversible energy transfer in conservative linear systems, which until now has been a concept associated exclusively with nonlinear systems.

Direct perturbation theory for the dark soliton solution to the nonlinear Schroedinger equation with normal dispersion

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

Yu Jialu; Yang Chunnuan; Cai Hao

2007-04-15

After finding the basic solutions of the linearized nonlinear Schroedinger equation by the method of separation of variables, the perturbation theory for the dark soliton solution is constructed by linear Green's function theory. In application to the self-induced Raman scattering, the adiabatic corrections to the soliton's parameters are obtained and the remaining correction term is given as a pure integral with respect to the continuous spectral parameter.

The Relation between the Fear-Avoidance Model and Constructs from the Social Cognitive Theory in Acute WAD.

PubMed

Sandborgh, Maria; Johansson, Ann-Christin; Söderlund, Anne

2016-01-01

In the fear-avoidance (FA) model social cognitive constructs could add to explaining the disabling process in whiplash associated disorder (WAD). The aim was to exemplify the possible input from Social Cognitive Theory on the FA model. Specifically the role of functional self-efficacy and perceived responses from a spouse/intimate partner was studied. A cross-sectional and correlational design was used. Data from 64 patients with acute WAD were used. Measures were pain intensity measured with a numerical rating scale, the Pain Disability Index, support, punishing responses, solicitous responses, and distracting responses subscales from the Multidimensional Pain Inventory, the Catastrophizing subscale from the Coping Strategies Questionnaire, the Tampa Scale of Kinesiophobia, and the Self-Efficacy Scale. Bivariate correlational, simple linear regression, and multiple regression analyses were used. In the statistical prediction models high pain intensity indicated high punishing responses, which indicated high catastrophizing. High catastrophizing indicated high fear of movement, which indicated low self-efficacy. Low self-efficacy indicated high disability, which indicated high pain intensity. All independent variables together explained 66.4% of the variance in pain disability, p < 0.001. Results suggest a possible link between one aspect of the social environment, perceived punishing responses from a spouse/intimate partner, pain intensity, and catastrophizing. Further, results support a mediating role of self-efficacy between fear of movement and disability in WAD.

Muscle activation described with a differential equation model for large ensembles of locally coupled molecular motors.

PubMed

Walcott, Sam

2014-10-01

Molecular motors, by turning chemical energy into mechanical work, are responsible for active cellular processes. Often groups of these motors work together to perform their biological role. Motors in an ensemble are coupled and exhibit complex emergent behavior. Although large motor ensembles can be modeled with partial differential equations (PDEs) by assuming that molecules function independently of their neighbors, this assumption is violated when motors are coupled locally. It is therefore unclear how to describe the ensemble behavior of the locally coupled motors responsible for biological processes such as calcium-dependent skeletal muscle activation. Here we develop a theory to describe locally coupled motor ensembles and apply the theory to skeletal muscle activation. The central idea is that a muscle filament can be divided into two phases: an active and an inactive phase. Dynamic changes in the relative size of these phases are described by a set of linear ordinary differential equations (ODEs). As the dynamics of the active phase are described by PDEs, muscle activation is governed by a set of coupled ODEs and PDEs, building on previous PDE models. With comparison to Monte Carlo simulations, we demonstrate that the theory captures the behavior of locally coupled ensembles. The theory also plausibly describes and predicts muscle experiments from molecular to whole muscle scales, suggesting that a micro- to macroscale muscle model is within reach.

Kinetic theory of turbulence for parallel propagation revisited: Low-to-intermediate frequency regime

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

Yoon, Peter H., E-mail: yoonp@umd.edu; School of Space Research, Kyung Hee University, Yongin, Gyeonggi 446-701

2015-09-15

A previous paper [P. H. Yoon, “Kinetic theory of turbulence for parallel propagation revisited: Formal results,” Phys. Plasmas 22, 082309 (2015)] revisited the second-order nonlinear kinetic theory for turbulence propagating in directions parallel/anti-parallel to the ambient magnetic field, in which the original work according to Yoon and Fang [Phys. Plasmas 15, 122312 (2008)] was refined, following the paper by Gaelzer et al. [Phys. Plasmas 22, 032310 (2015)]. The main finding involved the dimensional correction pertaining to discrete-particle effects in Yoon and Fang's theory. However, the final result was presented in terms of formal linear and nonlinear susceptibility response functions. Inmore » the present paper, the formal equations are explicitly written down for the case of low-to-intermediate frequency regime by making use of approximate forms for the response functions. The resulting equations are sufficiently concrete so that they can readily be solved by numerical means or analyzed by theoretical means. The derived set of equations describe nonlinear interactions of quasi-parallel modes whose frequency range covers the Alfvén wave range to ion-cyclotron mode, but is sufficiently lower than the electron cyclotron mode. The application of the present formalism may range from the nonlinear evolution of whistler anisotropy instability in the high-beta regime, and the nonlinear interaction of electrons with whistler-range turbulence.« less

Self-consistent linear response for the spin-orbit interaction related properties

NASA Astrophysics Data System (ADS)

Solovyev, I. V.

2014-07-01

In many cases, the relativistic spin-orbit (SO) interaction can be regarded as a small perturbation to the electronic structure of solids and treated using regular perturbation theory. The major obstacle on this route comes from the fact that the SO interaction can also polarize the electron system and produce some additional contributions to the perturbation theory expansion, which arise from the electron-electron interactions in the same order of the SO coupling. In electronic structure calculations, it may even lead to the necessity of abandoning the perturbation theory and returning to the original self-consistent solution of Kohn-Sham-like equations with the effective potential v̂, incorporating simultaneously the effects of the electron-electron interactions and the SO coupling, even though the latter is small. In this work, we present the theory of self-consistent linear response (SCLR), which allows us to get rid of numerical self-consistency and formulate the last step fully analytically in the first order of the SO coupling. This strategy is applied to the unrestricted Hartree-Fock solution of an effective Hubbard-type model, derived from the first-principles electronic structure calculations in the basis of Wannier functions for the magnetically active states. We show that by using v̂, obtained in SCLR, one can successfully reproduce results of ordinary self-consistent calculations for the orbital magnetization and other properties, which emerge in the first order of the SO coupling. Particularly, SCLR appears to be an extremely useful approach for calculations of antisymmetric Dzyaloshinskii-Moriya (DM) interactions based on the magnetic force theorem, where only by using the total perturbation one can make a reliable estimate for the DM parameters. Furthermore, due to the powerful 2n+1 theorem, the SCLR theory allows us to obtain the total energy change up to the third order of the SO coupling, which can be used in calculations of magnetic anisotropy of compounds with low crystal symmetry. The fruitfulness of this approach for the analysis of complex magnetic structures is illustrated in a number of examples, including the quantitative description of the spin canting in YTiO3 and LaMnO3, formation of the spin-spiral order in BiFeO3, and the magnetic inversion symmetry breaking in BiMnO3, which gives rise to both ferroelectric activity and DM interactions, responsible for the ferromagnetism. In all these cases, the use of SCLR tremendously reduces the computational efforts related to the search for noncollinear magnetic structures in the ground state.

The role of molecular conformation and polarizable embedding for one- and two-photon absorption of disperse orange 3 in solution.

PubMed

Silva, Daniel L; Murugan, N Arul; Kongsted, Jacob; Rinkevicius, Zilvinas; Canuto, Sylvio; Ågren, Hans

2012-07-19

Solvent effects on the one- and two-photon absorption (1PA and 2PA) of disperse orange 3 (DO3) in dimethyl sulfoxide (DMSO) are studied using a discrete polarizable embedding (PE) response theory. The scheme comprises a quantum region containing the chromophore and an atomically granulated classical region for the solvent accounting for full interactions within and between the two regions. Either classical molecular dynamics (MD) or hybrid Car-Parrinello (CP) quantum/classical (QM/MM) molecular dynamics simulations are employed to describe the solvation of DO3 in DMSO, allowing for an analysis of the effect of the intermolecular short-range repulsion, long-range attraction, and electrostatic interactions on the conformational changes of the chromophore and also the effect of the solute-solvent polarization. PE linear response calculations are performed to verify the character, solvatochromic shift, and overlap of the two lowest energy transitions responsible for the linear absorption spectrum of DO3 in DMSO in the visible spectral region. Results of the PE linear and quadratic response calculations, performed using uncorrelated solute-solvent configurations sampled from either the classical or hybrid CP QM/MM MD simulations, are used to estimate the width of the line shape function of the two electronic lowest energy excited states, which allow a prediction of the 2PA cross-sections without the use of empirical parameters. Appropriate exchange-correlation functionals have been employed in order to describe the charge-transfer process following the electronic transitions of the chromophore in solution.

Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set

DOE PAGES

Pemmaraju, C. D.; Vila, F. D.; Kas, J. J.; ...

2018-02-07

The interaction of laser fields with solid-state systems can be modeled efficiently within the velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT). In this article, we discuss the implementation of the velocity-gauge RT-TDDFT equations for electron dynamics within a linear combination of atomic orbitals (LCAO) basis set framework. Numerical results obtained from our LCAO implementation, for the electronic response of periodic systems to both weak and intense laser fields, are compared to those obtained from established real-space grid and Full-Potential Linearized Augmented Planewave approaches. As a result, potential applications of the LCAO based scheme in the context ofmore » extreme ultra-violet and soft X-ray spectroscopies involving core-electronic excitations are discussed.« less

Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set

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

Pemmaraju, C. D.; Vila, F. D.; Kas, J. J.

The interaction of laser fields with solid-state systems can be modeled efficiently within the velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT). In this article, we discuss the implementation of the velocity-gauge RT-TDDFT equations for electron dynamics within a linear combination of atomic orbitals (LCAO) basis set framework. Numerical results obtained from our LCAO implementation, for the electronic response of periodic systems to both weak and intense laser fields, are compared to those obtained from established real-space grid and Full-Potential Linearized Augmented Planewave approaches. As a result, potential applications of the LCAO based scheme in the context ofmore » extreme ultra-violet and soft X-ray spectroscopies involving core-electronic excitations are discussed.« less

Green's function and Bloch theory for the analysis of the dynamic response of a periodically supported beam to a moving load

NASA Astrophysics Data System (ADS)

Lassoued, R.; Lecheheb, M.; Bonnet, G.

2012-08-01

This paper describes an analytical method for the wave field induced by a moving load on a periodically supported beam. The Green's function for an Euler beam without support is evaluated by using the direct integration. Afterwards, it introduces the supports into the model established by using the superposition principle which states that the response from all the sleeper points and from the external point force add up linearly to give a total response. The periodicity of the supports is described by Bloch's theorem. The homogeneous system thus obtained represents a linear differential equation which governs rail response. It is initially solved in the homogeneous case, and it admits a no null solution if its determinant is null, this permits the establishment the dispersion equation to Bloch waves and wave bands. The Bloch waves and dispersion curves contain all the physics of the dynamic problem and the wave field induced by a dynamic load applied to the system is finally obtained by decomposition into Bloch waves, similarly to the usual decomposition into dynamic modes on a finite structure. The method is applied to obtain the field induced by a load moving at constant velocity on a thin beam supported by periodic elastic supports.

Time-Dependent Thermal Transport Theory.

PubMed

Biele, Robert; D'Agosta, Roberto; Rubio, Angel

2015-07-31

Understanding thermal transport in nanoscale systems presents important challenges to both theory and experiment. In particular, the concept of local temperature at the nanoscale appears difficult to justify. Here, we propose a theoretical approach where we replace the temperature gradient with controllable external blackbody radiations. The theory recovers known physical results, for example, the linear relation between the thermal current and the temperature difference of two blackbodies. Furthermore, our theory is not limited to the linear regime and goes beyond accounting for nonlinear effects and transient phenomena. Since the present theory is general and can be adapted to describe both electron and phonon dynamics, it provides a first step toward a unified formalism for investigating thermal and electronic transport.

An approximation theory for the identification of linear thermoelastic systems

NASA Technical Reports Server (NTRS)

Rosen, I. G.; Su, Chien-Hua Frank

1990-01-01

An abstract approximation framework and convergence theory for the identification of thermoelastic systems is developed. Starting from an abstract operator formulation consisting of a coupled second order hyperbolic equation of elasticity and first order parabolic equation for heat conduction, well-posedness is established using linear semigroup theory in Hilbert space, and a class of parameter estimation problems is then defined involving mild solutions. The approximation framework is based upon generic Galerkin approximation of the mild solutions, and convergence of solutions of the resulting sequence of approximating finite dimensional parameter identification problems to a solution of the original infinite dimensional inverse problem is established using approximation results for operator semigroups. An example involving the basic equations of one dimensional linear thermoelasticity and a linear spline based scheme are discussed. Numerical results indicate how the approach might be used in a study of damping mechanisms in flexible structures.

Diffusion by one wave and by many waves

NASA Astrophysics Data System (ADS)

Albert, J. M.

2010-03-01

Radiation belt electrons and chorus waves are an outstanding instance of the important role cyclotron resonant wave-particle interactions play in the magnetosphere. Chorus waves are particularly complex, often occurring with large amplitude, narrowband but drifting frequency and fine structure. Nevertheless, modeling their effect on radiation belt electrons with bounce-averaged broadband quasi-linear theory seems to yield reasonable results. It is known that coherent interactions with monochromatic waves can cause particle diffusion, as well as radically different phase bunching and phase trapping behavior. Here the two formulations of diffusion, while conceptually different, are shown to give identical diffusion coefficients, in the narrowband limit of quasi-linear theory. It is further shown that suitably averaging the monochromatic diffusion coefficients over frequency and wave normal angle parameters reproduces the full broadband quasi-linear results. This may account for the rather surprising success of quasi-linear theory in modeling radiation belt electrons undergoing diffusion by chorus waves.

Transient viscous response of the human cornea probed with the Surface Force Apparatus.

PubMed

Zappone, Bruno; Patil, Navinkumar J; Lombardo, Marco; Lombardo, Giuseppe

2018-01-01

Knowledge of the biomechanical properties of the human cornea is crucial for understanding the development of corneal diseases and impact of surgical treatments (e.g., corneal laser surgery, corneal cross-linking). Using a Surface Force Apparatus we investigated the transient viscous response of the anterior cornea from donor human eyes compressed between macroscopic crossed cylinders. Corneal biomechanics was analyzed using linear viscoelastic theory and interpreted in the framework of a biphasic model of soft hydrated porous tissues, including a significant contribution from the pressurization and viscous flow of fluid within the corneal tissue. Time-resolved measurements of tissue deformation and careful determination of the relaxation time provided an elastic modulus in the range between 0.17 and 1.43 MPa, and fluid permeability of the order of 10-13 m4/(N∙s). The permeability decreased as the deformation was increased above a strain level of about 10%, indicating that the interstitial space between fibrils of the corneal stromal matrix was reduced under the effect of strong compression. This effect may play a major role in determining the observed rate-dependent non-linear stress-strain response of the anterior cornea, which underlies the shape and optical properties of the tissue.

The influence of and the identification of nonlinearity in flexible structures

NASA Technical Reports Server (NTRS)

Zavodney, Lawrence D.

1988-01-01

Several models were built at NASA Langley and used to demonstrate the following nonlinear behavior: internal resonance in a free response, principal parametric resonance and subcritical instability in a cantilever beam-lumped mass structure, combination resonance in a parametrically excited flexible beam, autoparametric interaction in a two-degree-of-freedom system, instability of the linear solution, saturation of the excited mode, subharmonic bifurcation, and chaotic responses. A video tape documenting these phenomena was made. An attempt to identify a simple structure consisting of two light-weight beams and two lumped masses using the Eigensystem Realization Algorithm showed the inherent difficulty of using a linear based theory to identify a particular nonlinearity. Preliminary results show the technique requires novel interpretation, and hence may not be useful for structural modes that are coupled by a guadratic nonlinearity. A literature survey was also completed on recent work in parametrically excited nonlinear system. In summary, nonlinear systems may possess unique behaviors that require nonlinear identification techniques based on an understanding of how nonlinearity affects the dynamic response of structures. In this was, the unique behaviors of nonlinear systems may be properly identified. Moreover, more accutate quantifiable estimates can be made once the qualitative model has been determined.

Gain in stochastic resonance: Precise numerics versus linear response theory beyond the two-mode approximation

NASA Astrophysics Data System (ADS)

Casado-Pascual, Jesús; Denk, Claus; Gómez-Ordóñez, José; Morillo, Manuel; Hänggi, Peter

2003-03-01

In the context of the phenomenon of stochastic resonance (SR), we study the correlation function, the signal-to-noise ratio (SNR), and the ratio of output over input SNR, i.e., the gain, which is associated to the nonlinear response of a bistable system driven by time-periodic forces and white Gaussian noise. These quantifiers for SR are evaluated using the techniques of linear response theory (LRT) beyond the usually employed two-mode approximation scheme. We analytically demonstrate within such an extended LRT description that the gain can indeed not exceed unity. We implement an efficient algorithm, based on work by Greenside and Helfand (detailed in the Appendix), to integrate the driven Langevin equation over a wide range of parameter values. The predictions of LRT are carefully tested against the results obtained from numerical solutions of the corresponding Langevin equation over a wide range of parameter values. We further present an accurate procedure to evaluate the distinct contributions of the coherent and incoherent parts of the correlation function to the SNR and the gain. As a main result we show for subthreshold driving that both the correlation function and the SNR can deviate substantially from the predictions of LRT and yet the gain can be either larger or smaller than unity. In particular, we find that the gain can exceed unity in the strongly nonlinear regime which is characterized by weak noise and very slow multifrequency subthreshold input signals with a small duty cycle. This latter result is in agreement with recent analog simulation results by Gingl et al. [ICNF 2001, edited by G. Bosman (World Scientific, Singapore, 2002), pp. 545 548; Fluct. Noise Lett. 1, L181 (2001)].

A system identification technique based on the random decrement signatures. Part 1: Theory and simulation

NASA Technical Reports Server (NTRS)

Bedewi, Nabih E.; Yang, Jackson C. S.

1987-01-01

Identification of the system parameters of a randomly excited structure may be treated using a variety of statistical techniques. Of all these techniques, the Random Decrement is unique in that it provides the homogeneous component of the system response. Using this quality, a system identification technique was developed based on a least-squares fit of the signatures to estimate the mass, damping, and stiffness matrices of a linear randomly excited system. The mathematics of the technique is presented in addition to the results of computer simulations conducted to demonstrate the prediction of the response of the system and the random forcing function initially introduced to excite the system.

Hypo-Elastic Model for Lung Parenchyma

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

Freed, Alan D.; Einstein, Daniel R.

2012-03-01

A simple elastic isotropic constitutive model for the spongy tissue in lung is derived from the theory of hypoelasticity. The model is shown to exhibit a pressure dependent behavior that has been interpreted by some as indicating extensional anisotropy. In contrast, we show that this behavior arises natural from an analysis of isotropic hypoelastic invariants, and is a likely result of non-linearity, not anisotropy. The response of the model is determined analytically for several boundary value problems used for material characterization. These responses give insight into both the material behavior as well as admissible bounds on parameters. The model ismore » characterized against published experimental data for dog lung. Future work includes non-elastic model behavior.« less

Hall viscosity of a chiral two-orbital superconductor at finite temperatures

NASA Astrophysics Data System (ADS)

Yazdani-Hamid, Meghdad; Shahzamanian, Mohammad Ali

2018-06-01

The Hall viscosity known as the anti-symmetric part of the viscosity fourth-rank tensor. Such dissipationless response which appears for systems with broken time reversal symmetry. We calculate this non-dissipative quantity for a chiral two-orbital superconductor placed in a viscoelastic magnetic field using the linear response theory and apply our calculations to the putative multiband chiral superconductor Sr2RuO4. The chirality origin of a multiband superconductor arises from the interorbital coupling of the superconducting state. This feature leads to the robustness of the Hall viscosity against temperature and impurity effects. We study the temperature effect on the Hall viscosity at the one-loop approximation.

First-order symmetry-adapted perturbation theory for multiplet splittings.

PubMed

Patkowski, Konrad; Żuchowski, Piotr S; Smith, Daniel G A

2018-04-28

We present a symmetry-adapted perturbation theory (SAPT) for the interaction of two high-spin open-shell molecules (described by their restricted open-shell Hartree-Fock determinants) resulting in low-spin states of the complex. The previously available SAPT formalisms, except for some system-specific studies for few-electron complexes, were restricted to the high-spin state of the interacting system. Thus, the new approach provides, for the first time, a SAPT-based estimate of the splittings between different spin states of the complex. We have derived and implemented the lowest-order SAPT term responsible for these splittings, that is, the first-order exchange energy. We show that within the so-called S 2 approximation commonly used in SAPT (neglecting effects that vanish as fourth or higher powers of intermolecular overlap integrals), the first-order exchange energies for all multiplets are linear combinations of two matrix elements: a diagonal exchange term that determines the spin-averaged effect and a spin-flip term responsible for the splittings between the states. The numerical factors in this linear combination are determined solely by the Clebsch-Gordan coefficients: accordingly, the S 2 approximation implies a Heisenberg Hamiltonian picture with a single coupling strength parameter determining all the splittings. The new approach is cast into both molecular-orbital and atomic-orbital expressions: the latter enable an efficient density-fitted implementation. We test the newly developed formalism on several open-shell complexes ranging from diatomic systems (Li⋯H, Mn⋯Mn, …) to the phenalenyl dimer.

First-order symmetry-adapted perturbation theory for multiplet splittings

NASA Astrophysics Data System (ADS)

Patkowski, Konrad; Żuchowski, Piotr S.; Smith, Daniel G. A.

2018-04-01

We present a symmetry-adapted perturbation theory (SAPT) for the interaction of two high-spin open-shell molecules (described by their restricted open-shell Hartree-Fock determinants) resulting in low-spin states of the complex. The previously available SAPT formalisms, except for some system-specific studies for few-electron complexes, were restricted to the high-spin state of the interacting system. Thus, the new approach provides, for the first time, a SAPT-based estimate of the splittings between different spin states of the complex. We have derived and implemented the lowest-order SAPT term responsible for these splittings, that is, the first-order exchange energy. We show that within the so-called S2 approximation commonly used in SAPT (neglecting effects that vanish as fourth or higher powers of intermolecular overlap integrals), the first-order exchange energies for all multiplets are linear combinations of two matrix elements: a diagonal exchange term that determines the spin-averaged effect and a spin-flip term responsible for the splittings between the states. The numerical factors in this linear combination are determined solely by the Clebsch-Gordan coefficients: accordingly, the S2 approximation implies a Heisenberg Hamiltonian picture with a single coupling strength parameter determining all the splittings. The new approach is cast into both molecular-orbital and atomic-orbital expressions: the latter enable an efficient density-fitted implementation. We test the newly developed formalism on several open-shell complexes ranging from diatomic systems (Li⋯H, Mn⋯Mn, …) to the phenalenyl dimer.

Coupled-cluster and density functional theory studies of the electronic 0-0 transitions of the DNA bases.

PubMed

Ovchinnikov, Vasily A; Sundholm, Dage

2014-04-21

The 0-0 transitions of the electronic excitation spectra of the lowest tautomers of the four nucleotide (DNA) bases have been studied using linear-response approximate coupled-cluster singles and doubles (CC2) calculations. Excitation energies have also been calculated at the linear-response time-dependent density functional theory (TDDFT) level using the B3LYP functional. Large basis sets have been employed for ensuring that the obtained excitation energies are close to the basis-set limit. Zero-point vibrational energy corrections have been calculated at the B3LYP and CC2 levels for the ground and excited states rendering direct comparisons with high-precision spectroscopy measurements feasible. The obtained excitation energies for the 0-0 transitions of the first excited states of guanine tautomers are in good agreement with experimental values confirming the experimental assignment of the energetic order of the tautomers of the DNA bases. For the experimentally detected guanine tautomers, the first excited state corresponds to a π→π* transition, whereas for the tautomers of adenine, thymine, and the lowest tautomer of cytosine the transition to the first excited state has n →π* character. The calculations suggest that the 0-0 transitions of adenine, thymine, and cytosine are not observed in the absorption spectrum due to the weak oscillator strength of the formally symmetry-forbidden transitions, while 0-0 transitions of thymine have been detected in fluorescence excitation spectra.

Testing higher-order Lagrangian perturbation theory against numerical simulation. 1: Pancake models

NASA Technical Reports Server (NTRS)

Buchert, T.; Melott, A. L.; Weiss, A. G.

1993-01-01

We present results showing an improvement of the accuracy of perturbation theory as applied to cosmological structure formation for a useful range of quasi-linear scales. The Lagrangian theory of gravitational instability of an Einstein-de Sitter dust cosmogony investigated and solved up to the third order is compared with numerical simulations. In this paper we study the dynamics of pancake models as a first step. In previous work the accuracy of several analytical approximations for the modeling of large-scale structure in the mildly non-linear regime was analyzed in the same way, allowing for direct comparison of the accuracy of various approximations. In particular, the Zel'dovich approximation (hereafter ZA) as a subclass of the first-order Lagrangian perturbation solutions was found to provide an excellent approximation to the density field in the mildly non-linear regime (i.e. up to a linear r.m.s. density contrast of sigma is approximately 2). The performance of ZA in hierarchical clustering models can be greatly improved by truncating the initial power spectrum (smoothing the initial data). We here explore whether this approximation can be further improved with higher-order corrections in the displacement mapping from homogeneity. We study a single pancake model (truncated power-spectrum with power-spectrum with power-index n = -1) using cross-correlation statistics employed in previous work. We found that for all statistical methods used the higher-order corrections improve the results obtained for the first-order solution up to the stage when sigma (linear theory) is approximately 1. While this improvement can be seen for all spatial scales, later stages retain this feature only above a certain scale which is increasing with time. However, third-order is not much improvement over second-order at any stage. The total breakdown of the perturbation approach is observed at the stage, where sigma (linear theory) is approximately 2, which corresponds to the onset of hierarchical clustering. This success is found at a considerable higher non-linearity than is usual for perturbation theory. Whether a truncation of the initial power-spectrum in hierarchical models retains this improvement will be analyzed in a forthcoming work.

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

Bose, Benjamin; Koyama, Kazuya, E-mail: benjamin.bose@port.ac.uk, E-mail: kazuya.koyama@port.ac.uk

We develop a code to produce the power spectrum in redshift space based on standard perturbation theory (SPT) at 1-loop order. The code can be applied to a wide range of modified gravity and dark energy models using a recently proposed numerical method by A.Taruya to find the SPT kernels. This includes Horndeski's theory with a general potential, which accommodates both chameleon and Vainshtein screening mechanisms and provides a non-linear extension of the effective theory of dark energy up to the third order. Focus is on a recent non-linear model of the redshift space power spectrum which has been shownmore » to model the anisotropy very well at relevant scales for the SPT framework, as well as capturing relevant non-linear effects typical of modified gravity theories. We provide consistency checks of the code against established results and elucidate its application within the light of upcoming high precision RSD data.« less

On the interaction of small-scale linear waves with nonlinear solitary waves

NASA Astrophysics Data System (ADS)

Xu, Chengzhu; Stastna, Marek

2017-04-01

In the study of environmental and geophysical fluid flows, linear wave theory is well developed and its application has been considered for phenomena of various length and time scales. However, due to the nonlinear nature of fluid flows, in many cases results predicted by linear theory do not agree with observations. One of such cases is internal wave dynamics. While small-amplitude wave motion may be approximated by linear theory, large amplitude waves tend to be solitary-like. In some cases, when the wave is highly nonlinear, even weakly nonlinear theories fail to predict the wave properties correctly. We study the interaction of small-scale linear waves with nonlinear solitary waves using highly accurate pseudo spectral simulations that begin with a fully nonlinear solitary wave and a train of small-amplitude waves initialized from linear waves. The solitary wave then interacts with the linear waves through either an overtaking collision or a head-on collision. During the collision, there is a net energy transfer from the linear wave train to the solitary wave, resulting in an increase in the kinetic energy carried by the solitary wave and a phase shift of the solitary wave with respect to a freely propagating solitary wave. At the same time the linear waves are greatly reduced in amplitude. The percentage of energy transferred depends primarily on the wavelength of the linear waves. We found that after one full collision cycle, the longest waves may retain as much as 90% of the kinetic energy they had initially, while the shortest waves lose almost all of their initial energy. We also found that a head-on collision is more efficient in destroying the linear waves than an overtaking collision. On the other hand, the initial amplitude of the linear waves has very little impact on the percentage of energy that can be transferred to the solitary wave. Because of the nonlinearity of the solitary wave, these results provide us some insight into wave-mean flow interaction in a fully nonlinear framework.

Direct perturbation theory for the dark soliton solution to the nonlinear Schrödinger equation with normal dispersion.

PubMed

Yu, Jia-Lu; Yang, Chun-Nuan; Cai, Hao; Huang, Nian-Ning

2007-04-01

After finding the basic solutions of the linearized nonlinear Schrödinger equation by the method of separation of variables, the perturbation theory for the dark soliton solution is constructed by linear Green's function theory. In application to the self-induced Raman scattering, the adiabatic corrections to the soliton's parameters are obtained and the remaining correction term is given as a pure integral with respect to the continuous spectral parameter.

Unification Theory of Optimal Life Histories and Linear Demographic Models in Internal Stochasticity

PubMed Central

Oizumi, Ryo

2014-01-01

Life history of organisms is exposed to uncertainty generated by internal and external stochasticities. Internal stochasticity is generated by the randomness in each individual life history, such as randomness in food intake, genetic character and size growth rate, whereas external stochasticity is due to the environment. For instance, it is known that the external stochasticity tends to affect population growth rate negatively. It has been shown in a recent theoretical study using path-integral formulation in structured linear demographic models that internal stochasticity can affect population growth rate positively or negatively. However, internal stochasticity has not been the main subject of researches. Taking account of effect of internal stochasticity on the population growth rate, the fittest organism has the optimal control of life history affected by the stochasticity in the habitat. The study of this control is known as the optimal life schedule problems. In order to analyze the optimal control under internal stochasticity, we need to make use of “Stochastic Control Theory” in the optimal life schedule problem. There is, however, no such kind of theory unifying optimal life history and internal stochasticity. This study focuses on an extension of optimal life schedule problems to unify control theory of internal stochasticity into linear demographic models. First, we show the relationship between the general age-states linear demographic models and the stochastic control theory via several mathematical formulations, such as path–integral, integral equation, and transition matrix. Secondly, we apply our theory to a two-resource utilization model for two different breeding systems: semelparity and iteroparity. Finally, we show that the diversity of resources is important for species in a case. Our study shows that this unification theory can address risk hedges of life history in general age-states linear demographic models. PMID:24945258

Speed-of-light limitations in passive linear media

NASA Astrophysics Data System (ADS)

Welters, Aaron; Avniel, Yehuda; Johnson, Steven G.

2014-08-01

We prove that well-known speed-of-light restrictions on electromagnetic energy velocity can be extended to a new level of generality, encompassing even nonlocal chiral media in periodic geometries, while at the same time weakening the underlying assumptions to only passivity and linearity of the medium (either with a transparency window or with dissipation). As was also shown by other authors under more limiting assumptions, passivity alone is sufficient to guarantee causality and positivity of the energy density (with no thermodynamic assumptions). Our proof is general enough to include a very broad range of material properties, including anisotropy, bianisotropy (chirality), nonlocality, dispersion, periodicity, and even delta functions or similar generalized functions. We also show that the "dynamical energy density" used by some previous authors in dissipative media reduces to the standard Brillouin formula for dispersive energy density in a transparency window. The results in this paper are proved by exploiting deep results from linear-response theory, harmonic analysis, and functional analysis that had previously not been brought together in the context of electrodynamics.

Investigation of the linear and second-order nonlinear optical properties of molecular crystals within the local field theory.

PubMed

Seidler, Tomasz; Stadnicka, Katarzyna; Champagne, Benoît

2013-09-21

In this paper it is shown that modest calculations combining first principles evaluations of the molecular properties with electrostatic interaction schemes to account for the crystal environment effects are reliable for predicting and interpreting the experimentally measured electric linear and second-order nonlinear optical susceptibilities of molecular crystals within the experimental error bars. This is illustrated by considering two molecular crystals, namely: 2-methyl-4-nitroaniline and 4-(N,N-dimethylamino)-3-acetamidonitrobenzene. Three types of surrounding effects should be accounted for (i) the polarization due to the surrounding molecules, described here by static electric fields originating from their electric dipoles or charge distributions, (ii) the intermolecular interactions, which affect the geometry and particularly the molecular conformation, and (iii) the screening of the external electric field by the constitutive molecules. This study further highlights the role of electron correlation on the linear and nonlinear responses of molecular crystals and the challenge of describing frequency dispersion.

Numerical solution methods for viscoelastic orthotropic materials

NASA Technical Reports Server (NTRS)

Gramoll, K. C.; Dillard, D. A.; Brinson, H. F.

1988-01-01

Numerical solution methods for viscoelastic orthotropic materials, specifically fiber reinforced composite materials, are examined. The methods include classical lamination theory using time increments, direction solution of the Volterra Integral, Zienkiewicz's linear Prony series method, and a new method called Nonlinear Differential Equation Method (NDEM) which uses a nonlinear Prony series. The criteria used for comparison of the various methods include the stability of the solution technique, time step size stability, computer solution time length, and computer memory storage. The Volterra Integral allowed the implementation of higher order solution techniques but had difficulties solving singular and weakly singular compliance function. The Zienkiewicz solution technique, which requires the viscoelastic response to be modeled by a Prony series, works well for linear viscoelastic isotropic materials and small time steps. The new method, NDEM, uses a modified Prony series which allows nonlinear stress effects to be included and can be used with orthotropic nonlinear viscoelastic materials. The NDEM technique is shown to be accurate and stable for both linear and nonlinear conditions with minimal computer time.

Applications of Cosmological Perturbation Theory

NASA Astrophysics Data System (ADS)

Christopherson, Adam J.

2011-06-01

Cosmological perturbation theory is crucial for our understanding of the universe. The linear theory has been well understood for some time, however developing and applying the theory beyond linear order is currently at the forefront of research in theoretical cosmology. This thesis studies the applications of perturbation theory to cosmology and, specifically, to the early universe. Starting with some background material introducing the well-tested 'standard model' of cosmology, we move on to develop the formalism for perturbation theory up to second order giving evolution equations for all types of scalar, vector and tensor perturbations, both in gauge dependent and gauge invariant form. We then move on to the main result of the thesis, showing that, at second order in perturbation theory, vorticity is sourced by a coupling term quadratic in energy density and entropy perturbations. This source term implies a qualitative difference to linear order. Thus, while at linear order vorticity decays with the expansion of the universe, the same is not true at higher orders. This will have important implications on future measurements of the polarisation of the Cosmic Microwave Background, and could give rise to the generation of a primordial seed magnetic field. Having derived this qualitative result, we then estimate the scale dependence and magnitude of the vorticity power spectrum, finding, for simple power law inputs a small, blue spectrum. The final part of this thesis concerns higher order perturbation theory, deriving, for the first time, the metric tensor, gauge transformation rules and governing equations for fully general third order perturbations. We close with a discussion of natural extensions to this work and other possible ideas for off-shooting projects in this continually growing field.

A linear quadratic regulator approach to the stabilization of uncertain linear systems

NASA Technical Reports Server (NTRS)

Shieh, L. S.; Sunkel, J. W.; Wang, Y. J.

1990-01-01

This paper presents a linear quadratic regulator approach to the stabilization of uncertain linear systems. The uncertain systems under consideration are described by state equations with the presence of time-varying unknown-but-bounded uncertainty matrices. The method is based on linear quadratic regulator (LQR) theory and Liapunov stability theory. The robust stabilizing control law for a given uncertain system can be easily constructed from the symmetric positive-definite solution of the associated augmented Riccati equation. The proposed approach can be applied to matched and/or mismatched systems with uncertainty matrices in which only their matrix norms are bounded by some prescribed values and/or their entries are bounded by some prescribed constraint sets. Several numerical examples are presented to illustrate the results.

Nonequilibrium Phase Transitions and a Nonequilibrium Critical Point from Anti-de Sitter Space and Conformal Field Theory Correspondence

NASA Astrophysics Data System (ADS)

Nakamura, Shin

2012-09-01

We find novel phase transitions and critical phenomena that occur only outside the linear-response regime of current-driven nonequilibrium states. We consider the strongly interacting (3+1)-dimensional N=4 large-Nc SU(Nc) supersymmetric Yang-Mills theory with a single flavor of fundamental N=2 hypermultiplet as a microscopic theory. We compute its nonlinear nonballistic quark-charge conductivity by using the AdS/CFT correspondence. We find that the system exhibits a novel nonequilibrium first-order phase transition where the conductivity jumps and the sign of the differential conductivity flips at finite current density. A nonequilibrium critical point is discovered at the end point of the first-order regime. We propose a nonequilibrium steady-state analogue of thermodynamic potential in terms of the gravity-dual theory in order to define the transition point. Nonequilibrium analogues of critical exponents are proposed as well. The critical behavior of the conductivity is numerically confirmed on the basis of these proposals. The present work provides a new example of nonequilibrium phase transitions and nonequilibrium critical points.

Study of the Auger line shape of polyethylene and diamond

NASA Technical Reports Server (NTRS)

Dayan, M.; Pepper, S. V.

1984-01-01

The KVV Auger electron line shapes of carbon in polyethylene and diamond have been studied. The spectra were obtained in derivative form by electron beam excitation. They were treated by background subtraction, integration and deconvolution to produce the intrinsic Auger line shape. Electron energy loss spectra provided the response function in the deconvolution procedure. The line shape from polyethylene is compared with spectra from linear alkanes and with a previous spectrum of Kelber et al. Both spectra are compared with the self-convolution of their full valence band densities of states and of their p-projected densities. The experimental spectra could not be understood in terms of existing theories. This is so even when correlation effects are qualitatively taken into account account to the theories of Cini and Sawatzky and Lenselink.

Aging selectively impairs recollection in recognition memory for pictures: Evidence from modeling and ROC curves

PubMed Central

Howard, Marc W.; Bessette-Symons, Brandy; Zhang, Yaofei; Hoyer, William J.

2006-01-01

Younger and older adults were tested on recognition memory for pictures. The Yonelinas high threshold (YHT) model, a formal implementation of two-process theory, fit the response distribution data of both younger and older adults significantly better than a normal unequal variance signal detection model. Consistent with this finding, non-linear zROC curves were obtained for both groups. Estimates of recollection from the YHT model were significantly higher for younger than older adults. This deficit was not a consequence of a general decline in memory; older adults showed comparable overall accuracy and in fact a non-significant increase in their familiarity scores. Implications of these results for theories of recognition memory and the mnemonic deficit associated with aging are discussed. PMID:16594795

Drift and Behavior of E. coli Cells

NASA Astrophysics Data System (ADS)

Micali, Gabriele; Colin, Rémy; Sourjik, Victor; Endres, Robert G.

2017-12-01

Chemotaxis of the bacterium Escherichia coli is well understood in shallow chemical gradients, but its swimming behavior remains difficult to interpret in steep gradients. By focusing on single-cell trajectories from simulations, we investigated the dependence of the chemotactic drift velocity on attractant concentration in an exponential gradient. While maxima of the average drift velocity can be interpreted within analytical linear-response theory of chemotaxis in shallow gradients, limits in drift due to steep gradients and finite number of receptor-methylation sites for adaptation go beyond perturbation theory. For instance, we found a surprising pinning of the cells to the concentration in the gradient at which cells run out of methylation sites. To validate the positions of maximal drift, we recorded single-cell trajectories in carefully designed chemical gradients using microfluidics.

Development of a two-dimensional skin friction balance nulling circuit using multivariable control theory

NASA Technical Reports Server (NTRS)

Tripp, John S.; Patek, Stephen D.

1988-01-01

Measurement of planar skin friction forces in aerodynamic testing currently requires installation of two perpendicularly mounted, single-axis balances; consequently, force components must be sensed at two distinct locations. A two-axis instrument developed at the Langley Research Center to overcome this disadvantage allows measurement of a two-dimensional force at one location. This paper describes a feedback-controlled nulling circuit developed for the NASA two-axis balance which, without external compensation, is inherently unstable because of its low friction mechanical design. Linear multivariable control theory is applied to an experimentally validated mathematical model of the balance to synthesize a state-variable feedback control law. Pole placement techniques and computer simulation studies are employed to select eigenvalues which provide ideal transient response with decoupled sensing dynamics.

Zn-VI quasiparticle gaps and optical spectra from many-body calculations.

PubMed

Riefer, A; Weber, N; Mund, J; Yakovlev, D R; Bayer, M; Schindlmayr, Arno; Meier, C; Schmidt, W G

2017-06-01

The electronic band structures of hexagonal ZnO and cubic ZnS, ZnSe, and ZnTe compounds are determined within hybrid-density-functional theory and quasiparticle calculations. It is found that the band-edge energies calculated on the [Formula: see text] (Zn chalcogenides) or GW (ZnO) level of theory agree well with experiment, while fully self-consistent QSGW calculations are required for the correct description of the Zn 3d bands. The quasiparticle band structures are used to calculate the linear response and second-harmonic-generation (SHG) spectra of the Zn-VI compounds. Excitonic effects in the optical absorption are accounted for within the Bethe-Salpeter approach. The calculated spectra are discussed in the context of previous experimental data and present SHG measurements for ZnO.

The Hagen-Poiseuille, Plane Couette and Poiseuille Flows Linear Instability and Rogue Waves Excitation Mechanism

NASA Astrophysics Data System (ADS)

Chefranov, Sergey; Chefranov, Alexander

2016-04-01

Linear hydrodynamic stability theory for the Hagen-Poiseuille (HP) flow yields a conclusion of infinitely large threshold Reynolds number, Re, value. This contradiction to the observation data is bypassed using assumption of the HP flow instability having hard type and possible for sufficiently high-amplitude disturbances. HP flow disturbance evolution is considered by nonlinear hydrodynamic stability theory. Similar is the case of the plane Couette (PC) flow. For the plane Poiseuille (PP) flow, linear theory just quantitatively does not agree with experimental data defining the threshold Reynolds number Re= 5772 ( S. A. Orszag, 1971), more than five-fold exceeding however the value observed, Re=1080 (S. J. Davies, C. M. White, 1928). In the present work, we show that the linear stability theory conclusions for the HP and PC on stability for any Reynolds number and evidently too high threshold Reynolds number estimate for the PP flow are related with the traditional use of the disturbance representation assuming the possibility of separation of the longitudinal (along the flow direction) variable from the other spatial variables. We show that if to refuse from this traditional form, conclusions on the linear instability for the HP and PC flows may be obtained for finite Reynolds numbers (for the HP flow, for Re>704, and for the PC flow, for Re>139). Also, we fit the linear stability theory conclusion on the PP flow to the experimental data by getting an estimate of the minimal threshold Reynolds number as Re=1040. We also get agreement of the minimal threshold Reynolds number estimate for PC with the experimental data of S. Bottin, et.al., 1997, where the laminar PC flow stability threshold is Re = 150. Rogue waves excitation mechanism in oppositely directed currents due to the PC flow linear instability is discussed. Results of the new linear hydrodynamic stability theory for the HP, PP, and PC flows are published in the following papers: 1. S.G. Chefranov, A.G. Chefranov, JETP, v.119, No.2, 331, 2014 2. S.G. Chefranov, A.G. Chefranov, Doklady Physics, vol.60, No.7, 327-332, 2015 3. S.G. Chefranov, A. G. Chefranov, arXiv: 1509.08910v1 [physics.flu-dyn] 29 Sep 2015 (accepted to JETP)

Unveiling the nature of post-linear response Z-vector method for time-dependent density functional theory.

PubMed

Pastore, Mariachiara; Assfeld, Xavier; Mosconi, Edoardo; Monari, Antonio; Etienne, Thibaud

2017-07-14

We report a theoretical study on the analysis of the relaxed one-particle difference density matrix characterizing the passage from the ground to the excited state of a molecular system, as obtained from time-dependent density functional theory. In particular, this work aims at using the physics contained in the so-called Z-vector, which differentiates between unrelaxed and relaxed difference density matrices to analyze excited states' nature. For this purpose, we introduce novel quantum-mechanical quantities, based on the detachment/attachment methodology, for analysing the Z-vector transformation for different molecules and density functional theory functionals. A derivation pathway of these novel descriptors is reported, involving a numerical integration to be performed in the Euclidean space on the density functions. This topological analysis is then applied to two sets of chromophores, and the correlation between the level of theory and the behavior of our descriptors is properly rationalized. In particular, the effect of range-separation on the relaxation amplitude is discussed. The relaxation term is finally shown to be system-specific (for a given level of theory) and independent of the number of electrons (i.e., the relaxation amplitude is not simply the result of a collective phenomenon).

Manipulator control by exact linearization

NASA Technical Reports Server (NTRS)

Kruetz, K.

1987-01-01

Comments on the application to rigid link manipulators of geometric control theory, resolved acceleration control, operational space control, and nonlinear decoupling theory are given, and the essential unity of these techniques for externally linearizing and decoupling end effector dynamics is discussed. Exploiting the fact that the mass matrix of a rigid link manipulator is positive definite, a consequence of rigid link manipulators belonging to the class of natural physical systems, it is shown that a necessary and sufficient condition for a locally externally linearizing and output decoupling feedback law to exist is that the end effector Jacobian matrix be nonsingular. Furthermore, this linearizing feedback is easy to produce.

Bifurcations and Chaos of AN Immersed Cantilever Beam in a Fluid and Carrying AN Intermediate Mass

NASA Astrophysics Data System (ADS)

AL-QAISIA, A. A.; HAMDAN, M. N.

2002-06-01

The concern of this work is the local stability and period-doubling bifurcations of the response to a transverse harmonic excitation of a slender cantilever beam partially immersed in a fluid and carrying an intermediate lumped mass. The unimodal form of the non-linear dynamic model describing the beam-mass in-plane large-amplitude flexural vibration, which accounts for axial inertia, non-linear curvature and inextensibility condition, developed in Al-Qaisia et al. (2000Shock and Vibration7 , 179-194), is analyzed and studied for the resonance responses of the first three modes of vibration, using two-term harmonic balance method. Then a consistent second order stability analysis of the associated linearized variational equation is carried out using approximate methods to predict the zones of symmetry breaking leading to period-doubling bifurcation and chaos on the resonance response curves. The results of the present work are verified for selected physical system parameters by numerical simulations using methods of the qualitative theory, and good agreement was obtained between the analytical and numerical results. Also, analytical prediction of the period-doubling bifurcation and chaos boundaries obtained using a period-doubling bifurcation criterion proposed in Al-Qaisia and Hamdan (2001 Journal of Sound and Vibration244, 453-479) are compared with those of computer simulations. In addition, results of the effect of fluid density, fluid depth, mass ratio, mass position and damping on the period-doubling bifurcation diagrams are studies and presented.

Constructive Processes in Linear Order Problems Revealed by Sentence Study Times

ERIC Educational Resources Information Center

Mynatt, Barbee T.; Smith, Kirk H.

1977-01-01

This research was a further test of the theory of constructive processes proposed by Foos, Smith, Sabol, and Mynatt (1976) to account for differences among presentation orders in the construction of linear orders. This theory is composed of different series of mental operations that must be performed when an order relationship is integrated with…

The application of Green's theorem to the solution of boundary-value problems in linearized supersonic wing theory

NASA Technical Reports Server (NTRS)

Heaslet, Max A; Lomax, Harvard

1950-01-01

Following the introduction of the linearized partial differential equation for nonsteady three-dimensional compressible flow, general methods of solution are given for the two and three-dimensional steady-state and two-dimensional unsteady-state equations. It is also pointed out that, in the absence of thickness effects, linear theory yields solutions consistent with the assumptions made when applied to lifting-surface problems for swept-back plan forms at sonic speeds. The solutions of the particular equations are determined in all cases by means of Green's theorem, and thus depend on the use of Green's equivalent layer of sources, sinks, and doublets. Improper integrals in the supersonic theory are treated by means of Hadamard's "finite part" technique.

Non-linear Frequency Shifts, Mode Couplings, and Decay Instability of Plasma Waves

NASA Astrophysics Data System (ADS)

Affolter, Mathew; Anderegg, F.; Driscoll, C. F.; Valentini, F.

2015-11-01

We present experiments and theory for non-linear plasma wave decay to longer wavelengths, in both the oscillatory coupling and exponential decay regimes. The experiments are conducted on non-neutral plasmas in cylindrical Penning-Malmberg traps, θ-symmetric standing plasma waves have near acoustic dispersion ω (kz) ~kz - αkz2 , discretized by kz =mz (π /Lp) . Large amplitude waves exhibit non-linear frequency shifts δf / f ~A2 and Fourier harmonic content, both of which are increased as the plasma dispersion is reduced. Non-linear coupling rates are measured between large amplitude mz = 2 waves and small amplitude mz = 1 waves, which have a small detuning Δω = 2ω1 -ω2 . At small excitation amplitudes, this detuning causes the mz = 1 mode amplitude to ``bounce'' at rate Δω , with amplitude excursions ΔA1 ~ δn2 /n0 consistent with cold fluid theory and Vlasov simulations. At larger excitation amplitudes, where the non-linear coupling exceeds the dispersion, phase-locked exponential growth of the mz = 1 mode is observed, in qualitative agreement with simple 3-wave instability theory. However, significant variations are observed experimentally, and N-wave theory gives stunningly divergent predictions that depend sensitively on the dispersion-moderated harmonic content. Measurements on higher temperature Langmuir waves and the unusual ``EAW'' (KEEN) waves are being conducted to investigate the effects of wave-particle kinetics on the non-linear coupling rates. Department of Energy Grants DE-SC0002451and DE-SC0008693.

Quantum-field-theoretical approach to phase-space techniques: Generalizing the positive-P representation

NASA Astrophysics Data System (ADS)

Plimak, L. I.; Fleischhauer, M.; Olsen, M. K.; Collett, M. J.

2003-01-01

We present an introduction to phase-space techniques (PST) based on a quantum-field-theoretical (QFT) approach. In addition to bridging the gap between PST and QFT, our approach results in a number of generalizations of the PST. First, for problems where the usual PST do not result in a genuine Fokker-Planck equation (even after phase-space doubling) and hence fail to produce a stochastic differential equation (SDE), we show how the system in question may be approximated via stochastic difference equations (SΔE). Second, we show that introducing sources into the SDE’s (or SΔE’s) generalizes them to a full quantum nonlinear stochastic response problem (thus generalizing Kubo’s linear reaction theory to a quantum nonlinear stochastic response theory). Third, we establish general relations linking quantum response properties of the system in question to averages of operator products ordered in a way different from time normal. This extends PST to a much wider assemblage of operator products than are usually considered in phase-space approaches. In all cases, our approach yields a very simple and straightforward way of deriving stochastic equations in phase space.

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

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

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

2016-11-01

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

Analytical Solution for the Aeroelastic Response of a Two-Dimensional Elastic Plate in Axial Flow

NASA Astrophysics Data System (ADS)

Medina, Cory; Kang, Chang-Kwon

2017-11-01

The aeroelastic response of an elastic plate in an unsteady flow describes many engineering problems from bio-locomotion, deforming airfoils, to energy harvesting. However, the analysis is challenging because the shape of the plate is a priori unknown. This study presents an analytical model that can predict the two-way tightly coupled aeroelastic response of a two-dimensional elastic plate including the effects of plate curvature along the flow direction. The plate deforms due to the dynamic balance of wing inertia, elastic restoring force, and aerodynamic force. The coupled model utilizes the linearized Euler-Bernoulli beam theory for the structural model and thin airfoil theory as presented by Theodorsen, which assumes incompressible potential flow, for the aerodynamic model. The coupled equations of motion are solved via Galerkin's method, where closed form solutions for the plate deformation are obtained by deriving the unsteady aerodynamic pressure with respect to the plate normal functions, expressed in a Chebyshev polynomial expansion. Stability analysis is performed for a range of mass ratios obtaining the flutter velocities and corresponding frequencies and the results agree well with the results reported in the literature.

A Genomic Selection Index Applied to Simulated and Real Data

PubMed Central

Ceron-Rojas, J. Jesus; Crossa, José; Arief, Vivi N.; Basford, Kaye; Rutkoski, Jessica; Jarquín, Diego; Alvarado, Gregorio; Beyene, Yoseph; Semagn, Kassa; DeLacy, Ian

2015-01-01

A genomic selection index (GSI) is a linear combination of genomic estimated breeding values that uses genomic markers to predict the net genetic merit and select parents from a nonphenotyped testing population. Some authors have proposed a GSI; however, they have not used simulated or real data to validate the GSI theory and have not explained how to estimate the GSI selection response and the GSI expected genetic gain per selection cycle for the unobserved traits after the first selection cycle to obtain information about the genetic gains in each subsequent selection cycle. In this paper, we develop the theory of a GSI and apply it to two simulated and four real data sets with four traits. Also, we numerically compare its efficiency with that of the phenotypic selection index (PSI) by using the ratio of the GSI response over the PSI response, and the PSI and GSI expected genetic gain per selection cycle for observed and unobserved traits, respectively. In addition, we used the Technow inequality to compare GSI vs. PSI efficiency. Results from the simulated data were confirmed by the real data, indicating that GSI was more efficient than PSI per unit of time. PMID:26290571

Normality of raw data in general linear models: The most widespread myth in statistics

USGS Publications Warehouse

Kery, Marc; Hatfield, Jeff S.

2003-01-01

In years of statistical consulting for ecologists and wildlife biologists, by far the most common misconception we have come across has been the one about normality in general linear models. These comprise a very large part of the statistical models used in ecology and include t tests, simple and multiple linear regression, polynomial regression, and analysis of variance (ANOVA) and covariance (ANCOVA). There is a widely held belief that the normality assumption pertains to the raw data rather than to the model residuals. We suspect that this error may also occur in countless published studies, whenever the normality assumption is tested prior to analysis. This may lead to the use of nonparametric alternatives (if there are any), when parametric tests would indeed be appropriate, or to use of transformations of raw data, which may introduce hidden assumptions such as multiplicative effects on the natural scale in the case of log-transformed data. Our aim here is to dispel this myth. We very briefly describe relevant theory for two cases of general linear models to show that the residuals need to be normally distributed if tests requiring normality are to be used, such as t and F tests. We then give two examples demonstrating that the distribution of the response variable may be nonnormal, and yet the residuals are well behaved. We do not go into the issue of how to test normality; instead we display the distributions of response variables and residuals graphically.

Accelerating molecular property calculations with nonorthonormal Krylov space methods

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

Furche, Filipp; Krull, Brandon T.; Nguyen, Brian D.

Here, we formulate Krylov space methods for large eigenvalue problems and linear equation systems that take advantage of decreasing residual norms to reduce the cost of matrix-vector multiplication. The residuals are used as subspace basis without prior orthonormalization, which leads to generalized eigenvalue problems or linear equation systems on the Krylov space. These nonorthonormal Krylov space (nKs) algorithms are favorable for large matrices with irregular sparsity patterns whose elements are computed on the fly, because fewer operations are necessary as the residual norm decreases as compared to the conventional method, while errors in the desired eigenpairs and solution vectors remainmore » small. We consider real symmetric and symplectic eigenvalue problems as well as linear equation systems and Sylvester equations as they appear in configuration interaction and response theory. The nKs method can be implemented in existing electronic structure codes with minor modifications and yields speed-ups of 1.2-1.8 in typical time-dependent Hartree-Fock and density functional applications without accuracy loss. The algorithm can compute entire linear subspaces simultaneously which benefits electronic spectra and force constant calculations requiring many eigenpairs or solution vectors. The nKs approach is related to difference density methods in electronic ground state calculations, and particularly efficient for integral direct computations of exchange-type contractions. By combination with resolution-of-the-identity methods for Coulomb contractions, three- to fivefold speed-ups of hybrid time-dependent density functional excited state and response calculations are achieved.« less

Accelerating molecular property calculations with nonorthonormal Krylov space methods

DOE PAGES

Furche, Filipp; Krull, Brandon T.; Nguyen, Brian D.; ...

2016-05-03

Here, we formulate Krylov space methods for large eigenvalue problems and linear equation systems that take advantage of decreasing residual norms to reduce the cost of matrix-vector multiplication. The residuals are used as subspace basis without prior orthonormalization, which leads to generalized eigenvalue problems or linear equation systems on the Krylov space. These nonorthonormal Krylov space (nKs) algorithms are favorable for large matrices with irregular sparsity patterns whose elements are computed on the fly, because fewer operations are necessary as the residual norm decreases as compared to the conventional method, while errors in the desired eigenpairs and solution vectors remainmore » small. We consider real symmetric and symplectic eigenvalue problems as well as linear equation systems and Sylvester equations as they appear in configuration interaction and response theory. The nKs method can be implemented in existing electronic structure codes with minor modifications and yields speed-ups of 1.2-1.8 in typical time-dependent Hartree-Fock and density functional applications without accuracy loss. The algorithm can compute entire linear subspaces simultaneously which benefits electronic spectra and force constant calculations requiring many eigenpairs or solution vectors. The nKs approach is related to difference density methods in electronic ground state calculations, and particularly efficient for integral direct computations of exchange-type contractions. By combination with resolution-of-the-identity methods for Coulomb contractions, three- to fivefold speed-ups of hybrid time-dependent density functional excited state and response calculations are achieved.« less

Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theory.

PubMed

Kussmann, Jörg; Ochsenfeld, Christian

2007-08-07

Details of a new density matrix-based formulation for calculating nuclear magnetic resonance chemical shifts at both Hartree-Fock and density functional theory levels are presented. For systems with a nonvanishing highest occupied molecular orbital-lowest unoccupied molecular orbital gap, the method allows us to reduce the asymptotic scaling order of the computational effort from cubic to linear, so that molecular systems with 1000 and more atoms can be tackled with today's computers. The key feature is a reformulation of the coupled-perturbed self-consistent field (CPSCF) theory in terms of the one-particle density matrix (D-CPSCF), which avoids entirely the use of canonical MOs. By means of a direct solution for the required perturbed density matrices and the adaptation of linear-scaling integral contraction schemes, the overall scaling of the computational effort is reduced to linear. A particular focus of our formulation is to ensure numerical stability when sparse-algebra routines are used to obtain an overall linear-scaling behavior.

Linear {GLP}-algebras and their elementary theories

NASA Astrophysics Data System (ADS)

Pakhomov, F. N.

2016-12-01

The polymodal provability logic {GLP} was introduced by Japaridze in 1986. It is the provability logic of certain chains of provability predicates of increasing strength. Every polymodal logic corresponds to a variety of polymodal algebras. Beklemishev and Visser asked whether the elementary theory of the free {GLP}-algebra generated by the constants \\mathbf{0}, \\mathbf{1} is decidable [1]. For every positive integer n we solve the corresponding question for the logics {GLP}_n that are the fragments of {GLP} with n modalities. We prove that the elementary theory of the free {GLP}_n-algebra generated by the constants \\mathbf{0}, \\mathbf{1} is decidable for all n. We introduce the notion of a linear {GLP}_n-algebra and prove that all free {GLP}_n-algebras generated by the constants \\mathbf{0}, \\mathbf{1} are linear. We also consider the more general case of the logics {GLP}_α whose modalities are indexed by the elements of a linearly ordered set α: we define the notion of a linear algebra and prove the latter result in this case.

Linearized-moment analysis of the temperature jump and temperature defect in the Knudsen layer of a rarefied gas.

PubMed

Gu, Xiao-Jun; Emerson, David R

2014-06-01

Understanding the thermal behavior of a rarefied gas remains a fundamental problem. In the present study, we investigate the predictive capabilities of the regularized 13 and 26 moment equations. In this paper, we consider low-speed problems with small gradients, and to simplify the analysis, a linearized set of moment equations is derived to explore a classic temperature problem. Analytical solutions obtained for the linearized 26 moment equations are compared with available kinetic models and can reliably capture all qualitative trends for the temperature-jump coefficient and the associated temperature defect in the thermal Knudsen layer. In contrast, the linearized 13 moment equations lack the necessary physics to capture these effects and consistently underpredict kinetic theory. The deviation from kinetic theory for the 13 moment equations increases significantly for specular reflection of gas molecules, whereas the 26 moment equations compare well with results from kinetic theory. To improve engineering analyses, expressions for the effective thermal conductivity and Prandtl number in the Knudsen layer are derived with the linearized 26 moment equations.

Cosmic-ray streaming perpendicular to the mean magnetic field. II - The gyrophase distribution function

NASA Technical Reports Server (NTRS)

Forman, M. A.; Jokipii, J. R.

1978-01-01

The distribution function of cosmic rays streaming perpendicular to the mean magnetic field in a turbulent medium is reexamined. Urch's (1977) discovery that in quasi-linear theory, the flux is due to particles at 90 deg pitch angle is discussed and shown to be consistent with previous formulations of the theory. It is pointed out that this flux of particles at 90 deg cannot be arbitrarily set equal to zero, and hence the alternative theory which proceeds from this premise is dismissed. A further, basic inconsistency in Urch's transport equation is demonstrated, and the connection between quasi-linear theory and compound diffusion is discussed.

The electrical response of turtle cones to flashes and steps of light.

PubMed

Baylor, D A; Hodgkin, A L; Lamb, T D

1974-11-01

1. The linear response of turtle cones to weak flashes or steps of light was usually well fitted by equations based on a chain of six or seven reactions with time constants varying over about a 6-fold range.2. The temperature coefficient (Q(10)) of the reciprocal of the time to peak of the response to a flash was 1.8 (15-25 degrees C), corresponding to an activation energy of 10 kcal/mole.3. Electrical measurements with one internal electrode and a balancing circuit gave the following results on red-sensitive cones of high resistance: resistance across cell surface in dark 50-170 MOmega; time constant in dark 4-6.5 msec. The effect of a bright light was to increase the resistance and time constant by 10-30%.4. If the cell time constant, resting potential and maximum hyperpolarization are known, the fraction of ionic channels blocked by light at any instant can be calculated from the hyperpolarization and its rate of change. At times less than 50 msec the shape of this relation is consistent with the idea that the concentration of a blocking molecule which varies linearly with light intensity is in equilibrium with the fraction of ionic channels blocked.5. The rising phase of the response to flashes and steps of light covering a 10(5)-fold range of intensities is well fitted by a theory in which the essential assumptions are that (i) light starts a linear chain of reactions leading to the production of a substance which blocks ionic channels in the outer segment, (ii) an equilibrium between the blocking molecules and unblocked channels is established rapidly, and (iii) the electrical properties of the cell can be represented by a simple circuit with a time constant in the dark of about 6 msec.6. Deviations from the simple theory which occur after 50 msec are attributed partly to a time-dependent desensitization mechanism and partly to a change in saturation potential resulting from a voltage-dependent change in conductance.7. The existence of several components in the relaxation of the potential to its resting level can be explained by supposing that the ;substance' which blocks light sensitive ionic channels is inactivated in a series of steps.

Two wrongs make a right: linear increase of accuracy of visually-guided manual pointing, reaching, and height-matching with increase in hand-to-body distance.

PubMed

Li, Wenxun; Matin, Leonard

2005-03-01

Measurements were made of the accuracy of open-loop manual pointing and height-matching to a visual target whose elevation was perceptually mislocalized. Accuracy increased linearly with distance of the hand from the body, approaching complete accuracy at full extension; with the hand close to the body (within the midfrontal plane), the manual errors equaled the magnitude of the perceptual mislocalization. The visual inducing stimulus responsible for the perceptual errors was a single pitched-from-vertical line that was long (50 degrees), eccentrically-located (25 degrees horizontal), and viewed in otherwise total darkness. The line induced perceptual errors in the elevation of a small, circular visual target set to appear at eye level (VPEL), a setting that changed linearly with the change in the line's visual pitch as has been previously reported (pitch: -30 degrees topbackward to 30 degrees topforward); the elevation errors measured by VPEL settings varied systematically with pitch through an 18 degrees range. In a fourth experiment the visual inducing stimulus responsible for the perceptual errors was shown to induce separately-measured errors in the manual setting of the arm to feel horizontal that were also distance-dependent. The distance-dependence of the visually-induced changes in felt arm position accounts quantitatively for the distance-dependence of the manual errors in pointing/reaching and height matching to the visual target: The near equality of the changes in felt horizontal and changes in pointing/reaching with the finger at the end of the fully extended arm is responsible for the manual accuracy of the fully-extended point; with the finger in the midfrontal plane their large difference is responsible for the inaccuracies of the midfrontal-plane point. The results are inconsistent with the widely-held but controversial theory that visual spatial information employed for perception and action are dissociated and different with no illusory visual influence on action. A different two-system theory, the Proximal/Distal model, employing the same signals from vision and from the body-referenced mechanism with different weights for different hand-to-body distances, accounts for both the perceptual and the manual results in the present experiments.

Implications for the dynamic health of a glacier from comparison of conventional and reference-surface balances

USGS Publications Warehouse

Harrison, W.D.; Cox, L.H.; Hock, R.; March, R.S.; Pettit, E.C.

2009-01-01

Conventional and reference-surface mass-balance data from Gulkana and Wolverine Glaciers, Alaska, USA, are used to address the questions of how rapidly these glaciers are adjusting (or 'responding') to climate, whether their responses are stable, and whether the glaciers are likely to survive in today's climate. Instability means that a glacier will eventually vanish, or at least become greatly reduced in volume, if the climate stabilizes at its present state. A simple non-linear theory of response is presented for the analysis. The response of Gulkana Glacier is characterized by a timescale of several decades, but its stability and therefore its survival in today's climate are uncertain. Wolverine seems to be responding to climate more slowly, on the timescale of one to several centuries. Its stability is also uncertain, but a slower response time would make it more susceptible to climate changes.

Turbine blade forced response prediction using FREPS

NASA Technical Reports Server (NTRS)

Murthy, Durbha, V.; Morel, Michael R.

1993-01-01

This paper describes a software system called FREPS (Forced REsponse Prediction System) that integrates structural dynamic, steady and unsteady aerodynamic analyses to efficiently predict the forced response dynamic stresses in axial flow turbomachinery blades due to aerodynamic and mechanical excitations. A flutter analysis capability is also incorporated into the system. The FREPS system performs aeroelastic analysis by modeling the motion of the blade in terms of its normal modes. The structural dynamic analysis is performed by a finite element code such as MSC/NASTRAN. The steady aerodynamic analysis is based on nonlinear potential theory and the unsteady aerodynamic analyses is based on the linearization of the non-uniform potential flow mean. The program description and presentation of the capabilities are reported herein. The effectiveness of the FREPS package is demonstrated on the High Pressure Oxygen Turbopump turbine of the Space Shuttle Main Engine. Both flutter and forced response analyses are performed and typical results are illustrated.

Psychological need satisfaction, intrinsic motivation and affective response to exercise in adolescents

PubMed Central

Schneider, Margaret L.; Kwan, Bethany M.

2013-01-01

Objectives To further understanding of the factors influencing adolescents’ motivations for physical activity, the relationship of variables derived from Self-Determination Theory to adolescents’ affective response to exercise was examined. Design Correlational. Method Adolescents (N = 182) self-reported psychological needs satisfaction (perceived competence, relatedness, and autonomy) and intrinsic motivation related to exercise. In two clinic visits, adolescents reported their affect before, during, and after a moderate-intensity and a hard-intensity exercise task. Results Affective response to exercise and psychological needs satisfaction independently contributed to the prediction of intrinsic motivation in hierarchical linear regression models. The association between affective response to exercise and intrinsic motivation was partially mediated by psychological needs satisfaction. Conclusions Intrinsic motivation for exercise among adolescents may be enhanced when the environment supports perceived competence, relatedness, and autonomy, and when adolescents participate in activities that they find enjoyable. PMID:24015110

Couple stress theory of curved rods. 2-D, high order, Timoshenko's and Euler-Bernoulli models

NASA Astrophysics Data System (ADS)

Zozulya, V. V.

2017-01-01

New models for plane curved rods based on linear couple stress theory of elasticity have been developed.2-D theory is developed from general 2-D equations of linear couple stress elasticity using a special curvilinear system of coordinates related to the middle line of the rod as well as special hypothesis based on assumptions that take into account the fact that the rod is thin. High order theory is based on the expansion of the equations of the theory of elasticity into Fourier series in terms of Legendre polynomials. First, stress and strain tensors, vectors of displacements and rotation along with body forces have been expanded into Fourier series in terms of Legendre polynomials with respect to a thickness coordinate.Thereby, all equations of elasticity including Hooke's law have been transformed to the corresponding equations for Fourier coefficients. Then, in the same way as in the theory of elasticity, a system of differential equations in terms of displacements and boundary conditions for Fourier coefficients have been obtained. Timoshenko's and Euler-Bernoulli theories are based on the classical hypothesis and the 2-D equations of linear couple stress theory of elasticity in a special curvilinear system. The obtained equations can be used to calculate stress-strain and to model thin walled structures in macro, micro and nano scales when taking into account couple stress and rotation effects.

Chaos in World Politics: A Reflection

NASA Astrophysics Data System (ADS)

Ferreira, Manuel Alberto Martins; Filipe, José António Candeias Bonito; Coelho, Manuel F. P.; Pedro, Isabel C.

Chaos theory results from natural scientists' findings in the area of non-linear dynamics. The importance of related models has increased in the last decades, by studying the temporal evolution of non-linear systems. In consequence, chaos is one of the concepts that most rapidly have been expanded in what research topics respects. Considering that relationships in non-linear systems are unstable, chaos theory aims to understand and to explain this kind of unpredictable aspects of nature, social life, the uncertainties, the nonlinearities, the disorders and confusion, scientifically it represents a disarray connection, but basically it involves much more than that. The existing close relationship between change and time seems essential to understand what happens in the basics of chaos theory. In fact, this theory got a crucial role in the explanation of many phenomena. The relevance of this kind of theories has been well recognized to explain social phenomena and has permitted new advances in the study of social systems. Chaos theory has also been applied, particularly in the context of politics, in this area. The goal of this chapter is to make a reflection on chaos theory - and dynamical systems such as the theories of complexity - in terms of the interpretation of political issues, considering some kind of events in the political context and also considering the macro-strategic ideas of states positioning in the international stage.

Response of integrate-and-fire neurons to noisy inputs filtered by synapses with arbitrary timescales: firing rate and correlations.

PubMed

Moreno-Bote, Rubén; Parga, Néstor

2010-06-01

Delivery of neurotransmitter produces on a synapse a current that flows through the membrane and gets transmitted into the soma of the neuron, where it is integrated. The decay time of the current depends on the synaptic receptor's type and ranges from a few (e.g., AMPA receptors) to a few hundred milliseconds (e.g., NMDA receptors). The role of the variety of synaptic timescales, several of them coexisting in the same neuron, is at present not understood. A prime question to answer is which is the effect of temporal filtering at different timescales of the incoming spike trains on the neuron's response. Here, based on our previous work on linear synaptic filtering, we build a general theory for the stationary firing response of integrate-and-fire (IF) neurons receiving stochastic inputs filtered by one, two, or multiple synaptic channels, each characterized by an arbitrary timescale. The formalism applies to arbitrary IF model neurons and arbitrary forms of input noise (i.e., not required to be gaussian or to have small amplitude), as well as to any form of synaptic filtering (linear or nonlinear). The theory determines with exact analytical expressions the firing rate of an IF neuron for long synaptic time constants using the adiabatic approach. The correlated spiking (cross-correlations function) of two neurons receiving common as well as independent sources of noise is also described. The theory is illustrated using leaky, quadratic, and noise-thresholded IF neurons. Although the adiabatic approach is exact when at least one of the synaptic timescales is long, it provides a good prediction of the firing rate even when the timescales of the synapses are comparable to that of the leak of the neuron; it is not required that the synaptic time constants are longer than the mean interspike intervals or that the noise has small variance. The distribution of the potential for general IF neurons is also characterized. Our results provide powerful analytical tools that can allow a quantitative description of the dynamics of neuronal networks with realistic synaptic dynamics.

Phase transitions during compression and decompression of clots from platelet-poor plasma, platelet-rich plasma and whole blood.

PubMed

Liang, Xiaojun; Chernysh, Irina; Purohit, Prashant K; Weisel, John W

2017-09-15

Blood clots are required to stem bleeding and are subject to a variety of stresses, but they can also block blood vessels and cause heart attacks and ischemic strokes. We measured the compressive response of human platelet-poor plasma (PPP) clots, platelet-rich plasma (PRP) clots and whole blood clots and correlated these measurements with confocal and scanning electron microscopy to track changes in clot structure. Stress-strain curves revealed four characteristic regions, for compression-decompression: (1) linear elastic region; (2) upper plateau or softening region; (3) non-linear elastic region or re-stretching of the network; (4) lower plateau in which dissociation of some newly made connections occurs. Our experiments revealed that compression proceeds by the passage of a phase boundary through the clot separating rarefied and densified phases. This observation motivates a model of fibrin mechanics based on the continuum theory of phase transitions, which accounts for the pre-stress caused by platelets, the adhesion of fibrin fibers in the densified phase, the compression of red blood cells (RBCs), and the pumping of liquids through the clot during compression/decompression. Our experiments and theory provide insights into the mechanical behavior of blood clots that could have implications clinically and in the design of fibrin-based biomaterials. The objective of this paper is to measure and mathematically model the compression behavior of various human blood clots. We show by a combination of confocal and scanning electron microscopy that compression proceeds by the passage of a front through the sample that separates a densified region of the clot from a rarefied region, and that the compression/decompression response is reversible with hysteresis. These observations form the basis of a model for the compression response of clots based on the continuum theory of phase transitions. Our studies may reveal how clot rheology under large compression in vivo due to muscle contraction, platelet retraction and hydrodynamic flow varies under various pathophysiological conditions and could inform the design of fibrin based biomaterials. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

A Lagrangian effective field theory

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

Vlah, Zvonimir; White, Martin; Aviles, Alejandro

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The `new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. Furthermore, all the perturbative models fare better than linear theory.« less

A Lagrangian effective field theory

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

Vlah, Zvonimir; White, Martin; Aviles, Alejandro, E-mail: zvlah@stanford.edu, E-mail: mwhite@berkeley.edu, E-mail: aviles@berkeley.edu

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The 'new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. All the perturbative models fare better than linear theory.« less

A Lagrangian effective field theory

DOE PAGES

Vlah, Zvonimir; White, Martin; Aviles, Alejandro

2015-09-02

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The `new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. Furthermore, all the perturbative models fare better than linear theory.« less

Semigroup theory and numerical approximation for equations in linear viscoelasticity

NASA Technical Reports Server (NTRS)

Fabiano, R. H.; Ito, K.

1990-01-01

A class of abstract integrodifferential equations used to model linear viscoelastic beams is investigated analytically, applying a Hilbert-space approach. The basic equation is rewritten as a Cauchy problem, and its well-posedness is demonstrated. Finite-dimensional subspaces of the state space and an estimate of the state operator are obtained; approximation schemes for the equations are constructed; and the convergence is proved using the Trotter-Kato theorem of linear semigroup theory. The actual convergence behavior of different approximations is demonstrated in numerical computations, and the results are presented in tables.

Final Technical Report [Scalable methods for electronic excitations and optical responses of nanostructures: mathematics to algorithms to observables

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

Saad, Yousef

2014-03-19

The master project under which this work is funded had as its main objective to develop computational methods for modeling electronic excited-state and optical properties of various nanostructures. The specific goals of the computer science group were primarily to develop effective numerical algorithms in Density Functional Theory (DFT) and Time Dependent Density Functional Theory (TDDFT). There were essentially four distinct stated objectives. The first objective was to study and develop effective numerical algorithms for solving large eigenvalue problems such as those that arise in Density Functional Theory (DFT) methods. The second objective was to explore so-called linear scaling methods ormore » Methods that avoid diagonalization. The third was to develop effective approaches for Time-Dependent DFT (TDDFT). Our fourth and final objective was to examine effective solution strategies for other problems in electronic excitations, such as the GW/Bethe-Salpeter method, and quantum transport problems.« less

Towards a Quantum Theory of Humour

NASA Astrophysics Data System (ADS)

Gabora, Liane; Kitto, Kirsty

2016-12-01

This paper proposes that cognitive humour can be modelled using the mathematical framework of quantum theory, suggesting that a Quantum Theory of Humour (QTH) is a viable approach. We begin with brief overviews of both research on humour, and the generalized quantum framework. We show how the bisociation of incongruous frames or word meanings in jokes can be modelled as a linear superposition of a set of basis states, or possible interpretations, in a complex Hilbert space. The choice of possible interpretations depends on the context provided by the set-up versus the punchline of a joke. We apply QTH first to a verbal pun, and then consider how this might be extended to frame blending in cartoons. An initial study of 85 participant responses to 35 jokes (and a number of variants) suggests that there is reason to believe that a quantum approach to the modelling of cognitive humour is a viable new avenue of research for the field of quantum cognition.