Convergence of a sequence of dual variables at the solution of a completely degenerate problem of linear programming

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

Dikin, I.

1994-12-31

We survey results about the convergence of the primal affine scaling method at solutions of a completely degenerate problem of linear programming. Moreover we are studying the case when a next approximation is on the boundary of the affine scaling ellipsoid. Convergence of successive approximation to an interior point u of the solution for the dual problem is proved. Coordinates of the vector u are determined only by the input data of the problem; they do not depend of the choice of the starting point.

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

A priori error estimates for an hp-version of the discontinuous Galerkin method for hyperbolic conservation laws

NASA Technical Reports Server (NTRS)

Bey, Kim S.; Oden, J. Tinsley

1993-01-01

A priori error estimates are derived for hp-versions of the finite element method for discontinuous Galerkin approximations of a model class of linear, scalar, first-order hyperbolic conservation laws. These estimates are derived in a mesh dependent norm in which the coefficients depend upon both the local mesh size h(sub K) and a number p(sub k) which can be identified with the spectral order of the local approximations over each element.

Above threshold spectral dependence of linewidth enhancement factor, optical duration and linear chirp of quantum dot lasers.

PubMed

Kim, Jimyung; Delfyett, Peter J

2009-12-07

The spectral dependence of the linewidth enhancement factor above threshold is experimentally observed from a quantum dot Fabry-Pérot semiconductor laser. The linewidth enhancement factor is found to be reduced when the quantum dot laser operates approximately 10 nm offset to either side of the gain peak. It becomes significantly reduced on the anti-Stokes side as compared to the Stokes side. It is also found that the temporal duration of the optical pulses generated from quantum dot mode-locked lasers is shorter when the laser operates away from the gain peak. In addition, less linear chirp is impressed on the pulse train generated from the anti-Stokes side whereas the pulses generated from the gain peak and Stokes side possess a large linear chirp. These experimental results imply that enhanced performance characteristics of quantum dot lasers can be achieved by operating on the anti-Stokes side, approximately 10 nm away from the gain peak.

An approximation theory for the identification of nonlinear distributed parameter systems

NASA Technical Reports Server (NTRS)

Banks, H. T.; Reich, Simeon; Rosen, I. G.

1988-01-01

An abstract approximation framework for the identification of nonlinear distributed parameter systems is developed. Inverse problems for nonlinear systems governed by strongly maximal monotone operators (satisfying a mild continuous dependence condition with respect to the unknown parameters to be identified) are treated. Convergence of Galerkin approximations and the corresponding solutions of finite dimensional approximating identification problems to a solution of the original finite dimensional identification problem is demonstrated using the theory of nonlinear evolution systems and a nonlinear analog of the Trotter-Kato approximation result for semigroups of bounded linear operators. The nonlinear theory developed here is shown to subsume an existing linear theory as a special case. It is also shown to be applicable to a broad class of nonlinear elliptic operators and the corresponding nonlinear parabolic partial differential equations to which they lead. An application of the theory to a quasilinear model for heat conduction or mass transfer is discussed.

On the parallel solution of parabolic equations

NASA Technical Reports Server (NTRS)

Gallopoulos, E.; Saad, Youcef

1989-01-01

Parallel algorithms for the solution of linear parabolic problems are proposed. The first of these methods is based on using polynomial approximation to the exponential. It does not require solving any linear systems and is highly parallelizable. The two other methods proposed are based on Pade and Chebyshev approximations to the matrix exponential. The parallelization of these methods is achieved by using partial fraction decomposition techniques to solve the resulting systems and thus offers the potential for increased time parallelism in time dependent problems. Experimental results from the Alliant FX/8 and the Cray Y-MP/832 vector multiprocessors are also presented.

Development of low-frequency kernel-function aerodynamics for comparison with time-dependent finite-difference methods

NASA Technical Reports Server (NTRS)

Bland, S. R.

1982-01-01

Finite difference methods for unsteady transonic flow frequency use simplified equations in which certain of the time dependent terms are omitted from the governing equations. Kernel functions are derived for two dimensional subsonic flow, and provide accurate solutions of the linearized potential equation with the same time dependent terms omitted. These solutions make possible a direct evaluation of the finite difference codes for the linear problem. Calculations with two of these low frequency kernel functions verify the accuracy of the LTRAN2 and HYTRAN2 finite difference codes. Comparisons of the low frequency kernel function results with the Possio kernel function solution of the complete linear equations indicate the adequacy of the HYTRAN approximation for frequencies in the range of interest for flutter calculations.

Free-piston engine linear generator for hybrid vehicles modeling study

NASA Astrophysics Data System (ADS)

Callahan, T. J.; Ingram, S. K.

1995-05-01

Development of a free piston engine linear generator was investigated for use as an auxiliary power unit for a hybrid electric vehicle. The main focus of the program was to develop an efficient linear generator concept to convert the piston motion directly into electrical power. Computer modeling techniques were used to evaluate five different designs for linear generators. These designs included permanent magnet generators, reluctance generators, linear DC generators, and two and three-coil induction generators. The efficiency of the linear generator was highly dependent on the design concept. The two-coil induction generator was determined to be the best design, with an efficiency of approximately 90 percent.

Reduced-order modelling of parameter-dependent, linear and nonlinear dynamic partial differential equation models.

PubMed

Shah, A A; Xing, W W; Triantafyllidis, V

2017-04-01

In this paper, we develop reduced-order models for dynamic, parameter-dependent, linear and nonlinear partial differential equations using proper orthogonal decomposition (POD). The main challenges are to accurately and efficiently approximate the POD bases for new parameter values and, in the case of nonlinear problems, to efficiently handle the nonlinear terms. We use a Bayesian nonlinear regression approach to learn the snapshots of the solutions and the nonlinearities for new parameter values. Computational efficiency is ensured by using manifold learning to perform the emulation in a low-dimensional space. The accuracy of the method is demonstrated on a linear and a nonlinear example, with comparisons with a global basis approach.

Reduced-order modelling of parameter-dependent, linear and nonlinear dynamic partial differential equation models

PubMed Central

Xing, W. W.; Triantafyllidis, V.

2017-01-01

In this paper, we develop reduced-order models for dynamic, parameter-dependent, linear and nonlinear partial differential equations using proper orthogonal decomposition (POD). The main challenges are to accurately and efficiently approximate the POD bases for new parameter values and, in the case of nonlinear problems, to efficiently handle the nonlinear terms. We use a Bayesian nonlinear regression approach to learn the snapshots of the solutions and the nonlinearities for new parameter values. Computational efficiency is ensured by using manifold learning to perform the emulation in a low-dimensional space. The accuracy of the method is demonstrated on a linear and a nonlinear example, with comparisons with a global basis approach. PMID:28484327

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

Linear Optical and SERS Study on Metallic Membranes with Subwavelength Complementary Patterns

NASA Astrophysics Data System (ADS)

Hao, Qingzhen; Zeng, Yong; Jensen, Lasse; Werner, Douglas; Crespi, Vincent; Huang, Tony Jun; Interdepartmental Collaboration

2011-03-01

An efficient technique is developed to fabricate optically thin metallic films with subwavelength patterns and their complements simultaneously. By comparing the spectra of the complementary films, we show that Babinet's principle nearly holds in the optical domain. A discrete-dipole approximation can qualitatively describe their spectral dependence on the geometry of the constituent particles and the illuminating polarization. Using pyridine as probe molecules, we studied surface-enhanced Raman spectroscopy (SERS) from the complementary structure. Although the complementary structure posses closely related linear spectra, they have quite different near-field behaviors. For hole arrays, their averaged local field gains as well as the SERS enhancements are strongly correlated to their transmission spectra. We therefore can use cos 4 θ to approximately describe the dependence of the Raman intensity on the excitation polarization angle θ , while the complementary particle arrays present maximal local field gains at wavelengths generally much bigger than their localized surface plasmonic resonant wavelengths.

An hp-adaptivity and error estimation for hyperbolic conservation laws

NASA Technical Reports Server (NTRS)

Bey, Kim S.

1995-01-01

This paper presents an hp-adaptive discontinuous Galerkin method for linear hyperbolic conservation laws. A priori and a posteriori error estimates are derived in mesh-dependent norms which reflect the dependence of the approximate solution on the element size (h) and the degree (p) of the local polynomial approximation. The a posteriori error estimate, based on the element residual method, provides bounds on the actual global error in the approximate solution. The adaptive strategy is designed to deliver an approximate solution with the specified level of error in three steps. The a posteriori estimate is used to assess the accuracy of a given approximate solution and the a priori estimate is used to predict the mesh refinements and polynomial enrichment needed to deliver the desired solution. Numerical examples demonstrate the reliability of the a posteriori error estimates and the effectiveness of the hp-adaptive strategy.

Linear Power Spectra in Cold+Hot Dark Matter Models: Analytical Approximations and Applications

NASA Astrophysics Data System (ADS)

Ma, Chung-Pei

1996-11-01

This paper presents simple analytic approximations to the linear power spectra, linear growth rates, and rms mass fluctuations for both components in a family of cold + hot dark matter (CDM + HDM) models that are of current cosmological interest. The formulas are valid for a wide range of wavenumbers, neutrino fractions, redshifts, and Hubble constants: k ≤ 1O h Mpc-1, 0.05 ≤ Ωv le; 0.3 0 ≤ z ≤ 15, and 0.5 ≤ h ≤ 0.8. A new, redshift-dependent shape parameter, Γv = a½Ωvh2, is introduced to simplify the multidimensional parameter space and to characterize the effect of massive neutrinos on the power spectrum. The physical origin of Γv lies in the neutrino free-streaming process, and the analytic approximations can be simplified to depend only on this variable and Ωv. Linear calculations with these power spectra as input are performed to compare the predictions of Ωv ≤ 0.3 models with observational constraints from the reconstructed linear power spectrum and cluster abundance. The usual assumption of an exact scale-invariant primordial power spectrum is relaxed to allow a spectral index of 0.8 ≤ n ≤ 1. It is found that a slight tilt of n = 0.9 (no tensor mode) or n = 0.95 (with tensor mode) in 0.t-0.2 CDM + HDM models gives a power spectrum similar to that of an open CDM model with a shape parameter Γ = 0.25, providing good agreement with the power spectrum reconstructed by Peacock & Dodds and the observed cluster abundance at low redshifts. Late galaxy formation at high redshifts, however, will be a more severe problem in tilted models.

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

Approximate formulas for elasticity of the Tornquist functions and some their advantages

NASA Astrophysics Data System (ADS)

Issin, Meyram

2017-09-01

In this article functions of demand for prime necessity, second necessity and luxury goods depending on the income are considered. These functions are called Tornquist functions. By means of the return model the demand for prime necessity goods and second necessity goods are approximately described. Then on the basis of a method of the smallest squares approximate formulas for elasticity of these Tornquist functions are received. To receive an approximate formula for elasticity of function of demand for luxury goods, the linear asymptotic formula is constructed for this function. Some benefits of approximate formulas for elasticity of Tornquist functions are specified.

Discontinuous functional for linear-response time-dependent density-functional theory: The exact-exchange kernel and approximate forms

NASA Astrophysics Data System (ADS)

Hellgren, Maria; Gross, E. K. U.

2013-11-01

We present a detailed study of the exact-exchange (EXX) kernel of time-dependent density-functional theory with an emphasis on its discontinuity at integer particle numbers. It was recently found that this exact property leads to sharp peaks and step features in the kernel that diverge in the dissociation limit of diatomic systems [Hellgren and Gross, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.85.022514 85, 022514 (2012)]. To further analyze the discontinuity of the kernel, we here make use of two different approximations to the EXX kernel: the Petersilka Gossmann Gross (PGG) approximation and a common energy denominator approximation (CEDA). It is demonstrated that whereas the PGG approximation neglects the discontinuity, the CEDA includes it explicitly. By studying model molecular systems it is shown that the so-called field-counteracting effect in the density-functional description of molecular chains can be viewed in terms of the discontinuity of the static kernel. The role of the frequency dependence is also investigated, highlighting its importance for long-range charge-transfer excitations as well as inner-shell excitations.

Time-dependent theoretical treatments of the dynamics of electrons and nuclei in molecular systems

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

Deumens, E.; Diz, A.; Longo, R.

1994-07-01

An overview is presented of methods for time-dependent treatments of molecules as systems of electrons and nuclei. The theoretical details of these methods are reviewed and contrasted in the light of a recently developed time-dependent method called electron-nuclear dynamics. Electron-nuclear dynamics (END) is a formulation of the complete dynamics of electrons and nuclei of a molecular system that eliminates the necessity of constructing potential-energy surfaces. Because of its general formulation, it encompasses many aspects found in other formulations and can serve as a didactic device for clarifying many of the principles and approximations relevant in time-dependent treatments of molecular systems.more » The END equations are derived from the time-dependent variational principle applied to a chosen family of efficiently parametrized approximate state vectors. A detailed analysis of the END equations is given for the case of a single-determinantal state for the electrons and a classical treatment of the nuclei. The approach leads to a simple formulation of the fully nonlinear time-dependent Hartree-Fock theory including nuclear dynamics. The nonlinear END equations with the [ital ab] [ital initio] Coulomb Hamiltonian have been implemented at this level of theory in a computer program, ENDyne, and have been shown feasible for the study of small molecular systems. Implementation of the Austin Model 1 semiempirical Hamiltonian is discussed as a route to large molecular systems. The linearized END equations at this level of theory are shown to lead to the random-phase approximation for the coupled system of electrons and nuclei. The qualitative features of the general nonlinear solution are analyzed using the results of the linearized equations as a first approximation. Some specific applications of END are presented, and the comparison with experiment and other theoretical approaches is discussed.« less

Hybrid Discrete-Continuous Markov Decision Processes

NASA Technical Reports Server (NTRS)

Feng, Zhengzhu; Dearden, Richard; Meuleau, Nicholas; Washington, Rich

2003-01-01

This paper proposes a Markov decision process (MDP) model that features both discrete and continuous state variables. We extend previous work by Boyan and Littman on the mono-dimensional time-dependent MDP to multiple dimensions. We present the principle of lazy discretization, and piecewise constant and linear approximations of the model. Having to deal with several continuous dimensions raises several new problems that require new solutions. In the (piecewise) linear case, we use techniques from partially- observable MDPs (POMDPS) to represent value functions as sets of linear functions attached to different partitions of the state space.

Adaptive matching of the iota ring linear optics for space charge compensation

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

Romanov, A.; Bruhwiler, D. L.; Cook, N.

Many present and future accelerators must operate with high intensity beams when distortions induced by space charge forces are among major limiting factors. Betatron tune depression of above approximately 0.1 per cell leads to significant distortions of linear optics. Many aspects of machine operation depend on proper relations between lattice functions and phase advances, and can be i proved with proper treatment of space charge effects. We implement an adaptive algorithm for linear lattice re matching with full account of space charge in the linear approximation for the case of Fermilab’s IOTA ring. The method is based on a searchmore » for initial second moments that give closed solution and, at the same predefined set of goals for emittances, beta functions, dispersions and phase advances at and between points of interest. Iterative singular value decomposition based technique is used to search for optimum by varying wide array of model parameters« less

Progress Report for Grant Number W911NF-09-1-0347 (University of Illinois - Urbana)

DTIC Science & Technology

2012-11-06

critical tunneling current is proportional to mexc, we find good agreement with this explanation via the approximate square-root dependence seen in Fig...can occur near the contact, reducing interlayer conductivity significantly. As critical tunneling current is linearly dependent on the width of the...studied the possibility of finding the same type of condensation in a 3D topological insulator, and started our work on a time- dependent theory to

Effect of initial phase on error in electron energy obtained using paraxial approximation for a focused laser pulse in vacuum

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

Singh, Kunwar Pal, E-mail: k-psingh@yahoo.com; Department of Physics, Shri Venkateshwara University, Gajraula, Amroha, Uttar Pradesh 244236; Arya, Rashmi

2015-09-14

We have investigated the effect of initial phase on error in electron energy obtained using paraxial approximation to study electron acceleration by a focused laser pulse in vacuum using a three dimensional test-particle simulation code. The error is obtained by comparing the energy of the electron for paraxial approximation and seventh-order correction description of the fields of Gaussian laser. The paraxial approximation predicts wrong laser divergence and wrong electron escape time from the pulse which leads to prediction of higher energy. The error shows strong phase dependence for the electrons lying along the axis of the laser for linearly polarizedmore » laser pulse. The relative error may be significant for some specific values of initial phase even at moderate values of laser spot sizes. The error does not show initial phase dependence for a circularly laser pulse.« less

Relaxation approximation in the theory of shear turbulence

NASA Technical Reports Server (NTRS)

Rubinstein, Robert

1995-01-01

Leslie's perturbative treatment of the direct interaction approximation for shear turbulence (Modern Developments in the Theory of Turbulence, 1972) is applied to derive a time dependent model for the Reynolds stresses. The stresses are decomposed into tensor components which satisfy coupled linear relaxation equations; the present theory therefore differs from phenomenological Reynolds stress closures in which the time derivatives of the stresses are expressed in terms of the stresses themselves. The theory accounts naturally for the time dependence of the Reynolds normal stress ratios in simple shear flow. The distortion of wavenumber space by the mean shear plays a crucial role in this theory.

Error Estimation for the Linearized Auto-Localization Algorithm

PubMed Central

Guevara, Jorge; Jiménez, Antonio R.; Prieto, Jose Carlos; Seco, Fernando

2012-01-01

The Linearized Auto-Localization (LAL) algorithm estimates the position of beacon nodes in Local Positioning Systems (LPSs), using only the distance measurements to a mobile node whose position is also unknown. The LAL algorithm calculates the inter-beacon distances, used for the estimation of the beacons’ positions, from the linearized trilateration equations. In this paper we propose a method to estimate the propagation of the errors of the inter-beacon distances obtained with the LAL algorithm, based on a first order Taylor approximation of the equations. Since the method depends on such approximation, a confidence parameter τ is defined to measure the reliability of the estimated error. Field evaluations showed that by applying this information to an improved weighted-based auto-localization algorithm (WLAL), the standard deviation of the inter-beacon distances can be improved by more than 30% on average with respect to the original LAL method. PMID:22736965

Sampling schemes and parameter estimation for nonlinear Bernoulli-Gaussian sparse models

NASA Astrophysics Data System (ADS)

Boudineau, Mégane; Carfantan, Hervé; Bourguignon, Sébastien; Bazot, Michael

2016-06-01

We address the sparse approximation problem in the case where the data are approximated by the linear combination of a small number of elementary signals, each of these signals depending non-linearly on additional parameters. Sparsity is explicitly expressed through a Bernoulli-Gaussian hierarchical model in a Bayesian framework. Posterior mean estimates are computed using Markov Chain Monte-Carlo algorithms. We generalize the partially marginalized Gibbs sampler proposed in the linear case in [1], and build an hybrid Hastings-within-Gibbs algorithm in order to account for the nonlinear parameters. All model parameters are then estimated in an unsupervised procedure. The resulting method is evaluated on a sparse spectral analysis problem. It is shown to converge more efficiently than the classical joint estimation procedure, with only a slight increase of the computational cost per iteration, consequently reducing the global cost of the estimation procedure.

Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals.

PubMed

Zuehlsdorff, T J; Hine, N D M; Payne, M C; Haynes, P D

2015-11-28

We present a solution of the full time-dependent density-functional theory (TDDFT) eigenvalue equation in the linear response formalism exhibiting a linear-scaling computational complexity with system size, without relying on the simplifying Tamm-Dancoff approximation (TDA). The implementation relies on representing the occupied and unoccupied subspaces with two different sets of in situ optimised localised functions, yielding a very compact and efficient representation of the transition density matrix of the excitation with the accuracy associated with a systematic basis set. The TDDFT eigenvalue equation is solved using a preconditioned conjugate gradient algorithm that is very memory-efficient. The algorithm is validated on a small test molecule and a good agreement with results obtained from standard quantum chemistry packages is found, with the preconditioner yielding a significant improvement in convergence rates. The method developed in this work is then used to reproduce experimental results of the absorption spectrum of bacteriochlorophyll in an organic solvent, where it is demonstrated that the TDA fails to reproduce the main features of the low energy spectrum, while the full TDDFT equation yields results in good qualitative agreement with experimental data. Furthermore, the need for explicitly including parts of the solvent into the TDDFT calculations is highlighted, making the treatment of large system sizes necessary that are well within reach of the capabilities of the algorithm introduced here. Finally, the linear-scaling properties of the algorithm are demonstrated by computing the lowest excitation energy of bacteriochlorophyll in solution. The largest systems considered in this work are of the same order of magnitude as a variety of widely studied pigment-protein complexes, opening up the possibility of studying their properties without having to resort to any semiclassical approximations to parts of the protein environment.

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.

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

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.

Linear quadratic tracking problems in Hilbert space - Application to optimal active noise suppression

NASA Technical Reports Server (NTRS)

Banks, H. T.; Silcox, R. J.; Keeling, S. L.; Wang, C.

1989-01-01

A unified treatment of the linear quadratic tracking (LQT) problem, in which a control system's dynamics are modeled by a linear evolution equation with a nonhomogeneous component that is linearly dependent on the control function u, is presented; the treatment proceeds from the theoretical formulation to a numerical approximation framework. Attention is given to two categories of LQT problems in an infinite time interval: the finite energy and the finite average energy. The behavior of the optimal solution for finite time-interval problems as the length of the interval tends to infinity is discussed. Also presented are the formulations and properties of LQT problems in a finite time interval.

A new finite element formulation for computational fluid dynamics. IX - Fourier analysis of space-time Galerkin/least-squares algorithms

NASA Technical Reports Server (NTRS)

Shakib, Farzin; Hughes, Thomas J. R.

1991-01-01

A Fourier stability and accuracy analysis of the space-time Galerkin/least-squares method as applied to a time-dependent advective-diffusive model problem is presented. Two time discretizations are studied: a constant-in-time approximation and a linear-in-time approximation. Corresponding space-time predictor multi-corrector algorithms are also derived and studied. The behavior of the space-time algorithms is compared to algorithms based on semidiscrete formulations.

Three-dimensional inversion of multisource array electromagnetic data

NASA Astrophysics Data System (ADS)

Tartaras, Efthimios

Three-dimensional (3-D) inversion is increasingly important for the correct interpretation of geophysical data sets in complex environments. To this effect, several approximate solutions have been developed that allow the construction of relatively fast inversion schemes. One such method that is fast and provides satisfactory accuracy is the quasi-linear (QL) approximation. It has, however, the drawback that it is source-dependent and, therefore, impractical in situations where multiple transmitters in different positions are employed. I have, therefore, developed a localized form of the QL approximation that is source-independent. This so-called localized quasi-linear (LQL) approximation can have a scalar, a diagonal, or a full tensor form. Numerical examples of its comparison with the full integral equation solution, the Born approximation, and the original QL approximation are given. The objective behind developing this approximation is to use it in a fast 3-D inversion scheme appropriate for multisource array data such as those collected in airborne surveys, cross-well logging, and other similar geophysical applications. I have developed such an inversion scheme using the scalar and diagonal LQL approximation. It reduces the original nonlinear inverse electromagnetic (EM) problem to three linear inverse problems. The first of these problems is solved using a weighted regularized linear conjugate gradient method, whereas the last two are solved in the least squares sense. The algorithm I developed provides the option of obtaining either smooth or focused inversion images. I have applied the 3-D LQL inversion to synthetic 3-D EM data that simulate a helicopter-borne survey over different earth models. The results demonstrate the stability and efficiency of the method and show that the LQL approximation can be a practical solution to the problem of 3-D inversion of multisource array frequency-domain EM data. I have also applied the method to helicopter-borne EM data collected by INCO Exploration over the Voisey's Bay area in Labrador, Canada. The results of the 3-D inversion successfully delineate the shallow massive sulfides and show that the method can produce reasonable results even in areas of complex geology and large resistivity contrasts.

The role of repair in the survival of mammalian cells from heavy ion irradiation - Approximation to the ideal case of target theory

NASA Technical Reports Server (NTRS)

Lett, J. T.; Cox, A. B.; Story, M. D.

1989-01-01

Experiments are discussed in which the cell-cycle dependency of the repair deficiency of the S/S variant of the L5178Y murine leukemic lymphoblast was examined by treatment with the heavy ions, Ne-20, Si-28, Ar-40, Fe-56, and Nb-93. Evidence from those studies provide support for the notion that as the linear energy transfer of the incident radiation increases the ability of the S/S cell to repair radiation damage decreases until it is eliminated around 500 keV/micron. In the region of the latter linear energy transfer value, the behavior of the S/S cell approximates the ideal case of target theory where post-irradiation metabolism does not influence cell survival.

Dependence of upper atmosphere photochemistry on the shape of the diurnal cycle of the photolysis rates

NASA Astrophysics Data System (ADS)

Montecinos, S.; Barrientos, P.

2006-03-01

A photochemical model of the atmosphere constitutes a non-linear, non-autonomous dynamical system, enforced by the Earth's rotation. Some studies have shown that the region of the mesopause tends towards non-linear responses such as period-doubling cascades and chaos. In these studies, simple go approximations for the diurnal variations of the photolysis rates are assumed. The goal of this article is to investigate what happens if the more realistic, calculated photolysis rates are introduced. It is found that, if the usual approximations-sinusoidal and step functions-are assumed, the responses of the system are similar: it converges to a 2-day periodic solution. If the more realistic, calculated diurnal cycle is introduced, a new 4-day subharmonic appear.

Assessment of time-dependent density functional theory with the restricted excitation space approximation for excited state calculations of large systems

NASA Astrophysics Data System (ADS)

Hanson-Heine, Magnus W. D.; George, Michael W.; Besley, Nicholas A.

2018-06-01

The restricted excitation subspace approximation is explored as a basis to reduce the memory storage required in linear response time-dependent density functional theory (TDDFT) calculations within the Tamm-Dancoff approximation. It is shown that excluding the core orbitals and up to 70% of the virtual orbitals in the construction of the excitation subspace does not result in significant changes in computed UV/vis spectra for large molecules. The reduced size of the excitation subspace greatly reduces the size of the subspace vectors that need to be stored when using the Davidson procedure to determine the eigenvalues of the TDDFT equations. Furthermore, additional screening of the two-electron integrals in combination with a reduction in the size of the numerical integration grid used in the TDDFT calculation leads to significant computational savings. The use of these approximations represents a simple approach to extend TDDFT to the study of large systems and make the calculations increasingly tractable using modest computing resources.

Double power series method for approximating cosmological perturbations

NASA Astrophysics Data System (ADS)

Wren, Andrew J.; Malik, Karim A.

2017-04-01

We introduce a double power series method for finding approximate analytical solutions for systems of differential equations commonly found in cosmological perturbation theory. The method was set out, in a noncosmological context, by Feshchenko, Shkil' and Nikolenko (FSN) in 1966, and is applicable to cases where perturbations are on subhorizon scales. The FSN method is essentially an extension of the well known Wentzel-Kramers-Brillouin (WKB) method for finding approximate analytical solutions for ordinary differential equations. The FSN method we use is applicable well beyond perturbation theory to solve systems of ordinary differential equations, linear in the derivatives, that also depend on a small parameter, which here we take to be related to the inverse wave-number. We use the FSN method to find new approximate oscillating solutions in linear order cosmological perturbation theory for a flat radiation-matter universe. Together with this model's well-known growing and decaying Mészáros solutions, these oscillating modes provide a complete set of subhorizon approximations for the metric potential, radiation and matter perturbations. Comparison with numerical solutions of the perturbation equations shows that our approximations can be made accurate to within a typical error of 1%, or better. We also set out a heuristic method for error estimation. A Mathematica notebook which implements the double power series method is made available online.

A quantum relaxation-time approximation for finite fermion systems

NASA Astrophysics Data System (ADS)

Reinhard, P.-G.; Suraud, E.

2015-03-01

We propose a relaxation time approximation for the description of the dynamics of strongly excited fermion systems. Our approach is based on time-dependent density functional theory at the level of the local density approximation. This mean-field picture is augmented by collisional correlations handled in relaxation time approximation which is inspired from the corresponding semi-classical picture. The method involves the estimate of microscopic relaxation rates/times which is presently taken from the well established semi-classical experience. The relaxation time approximation implies evaluation of the instantaneous equilibrium state towards which the dynamical state is progressively driven at the pace of the microscopic relaxation time. As test case, we consider Na clusters of various sizes excited either by a swift ion projectile or by a short and intense laser pulse, driven in various dynamical regimes ranging from linear to strongly non-linear reactions. We observe a strong effect of dissipation on sensitive observables such as net ionization and angular distributions of emitted electrons. The effect is especially large for moderate excitations where typical relaxation/dissipation time scales efficiently compete with ionization for dissipating the available excitation energy. Technical details on the actual procedure to implement a working recipe of such a quantum relaxation approximation are given in appendices for completeness.

Thermal and ultrasonic evaluation of porosity in composite laminates

NASA Technical Reports Server (NTRS)

Johnston, Patrick H.; Winfree, William P.; Long, Edward R., Jr.; Kullerd, Susan M.; Nathan, N.; Partos, Richard D.

1992-01-01

The effects of porosity on damage incurred by low-velocity impact are investigated. Specimens of graphite/epoxy composite were fabricated with various volume fractions of voids. The void fraction was independently determined using optical examination and acid resin digestion methods. Thermal diffusivity and ultrasonic attenuation were measured, and these results were related to the void volume fraction. The relationship between diffusivity and fiber volume fraction was also considered. The slope of the ultrasonic attenuation coefficient was found to increase linearly with void content, and the diffusivity decreased linearly with void volume fraction, after compensation for an approximately linear dependence on the fiber volume fraction.

Stresses and deformations in cross-ply composite tubes subjected to a uniform temperature change: Elasticity and Approximate Solutions

NASA Technical Reports Server (NTRS)

Hyer, M. W.; Cooper, D. E.; Cohen, D.

1985-01-01

The effects of a uniform temperature change on the stresses and deformations of composite tubes are investigated. The accuracy of an approximate solution based on the principle of complementary virtual work is determined. Interest centers on tube response away from the ends and so a planar elasticity approach is used. For the approximate solution a piecewise linear variation of stresses with the radial coordinate is assumed. The results from the approximate solution are compared with the elasticity solution. The stress predictions agree well, particularly peak interlaminar stresses. Surprisingly, the axial deformations also agree well. This, despite the fact that the deformations predicted by the approximate solution do not satisfy the interface displacement continuity conditions required by the elasticity solution. The study shows that the axial thermal expansion coefficient of tubes with a specific number of axial and circumferential layers depends on the stacking sequence. This is in contrast to classical lamination theory which predicts the expansion to be independent of the stacking arrangement. As expected, the sign and magnitude of the peak interlaminar stresses depends on stacking sequence.

Evaluation of confidence intervals for a steady-state leaky aquifer model

USGS Publications Warehouse

Christensen, S.; Cooley, R.L.

1999-01-01

The fact that dependent variables of groundwater models are generally nonlinear functions of model parameters is shown to be a potentially significant factor in calculating accurate confidence intervals for both model parameters and functions of the parameters, such as the values of dependent variables calculated by the model. The Lagrangian method of Vecchia and Cooley [Vecchia, A.V. and Cooley, R.L., Water Resources Research, 1987, 23(7), 1237-1250] was used to calculate nonlinear Scheffe-type confidence intervals for the parameters and the simulated heads of a steady-state groundwater flow model covering 450 km2 of a leaky aquifer. The nonlinear confidence intervals are compared to corresponding linear intervals. As suggested by the significant nonlinearity of the regression model, linear confidence intervals are often not accurate. The commonly made assumption that widths of linear confidence intervals always underestimate the actual (nonlinear) widths was not correct. Results show that nonlinear effects can cause the nonlinear intervals to be asymmetric and either larger or smaller than the linear approximations. Prior information on transmissivities helps reduce the size of the confidence intervals, with the most notable effects occurring for the parameters on which there is prior information and for head values in parameter zones for which there is prior information on the parameters.The fact that dependent variables of groundwater models are generally nonlinear functions of model parameters is shown to be a potentially significant factor in calculating accurate confidence intervals for both model parameters and functions of the parameters, such as the values of dependent variables calculated by the model. The Lagrangian method of Vecchia and Cooley was used to calculate nonlinear Scheffe-type confidence intervals for the parameters and the simulated heads of a steady-state groundwater flow model covering 450 km2 of a leaky aquifer. The nonlinear confidence intervals are compared to corresponding linear intervals. As suggested by the significant nonlinearity of the regression model, linear confidence intervals are often not accurate. The commonly made assumption that widths of linear confidence intervals always underestimate the actual (nonlinear) widths was not correct. Results show that nonlinear effects can cause the nonlinear intervals to be asymmetric and either larger or smaller than the linear approximations. Prior information on transmissivities helps reduce the size of the confidence intervals, with the most notable effects occurring for the parameters on which there is prior information and for head values in parameter zones for which there is prior information on the parameters.

Ultra-sensitive pressure dependence of bandgap of rutile-GeO2 revealed by many body perturbation theory.

PubMed

Samanta, Atanu; Jain, Manish; Singh, Abhishek K

2015-08-14

The reported values of bandgap of rutile GeO2 calculated by the standard density functional theory within local-density approximation (LDA)/generalized gradient approximation (GGA) show a wide variation (∼2 eV), whose origin remains unresolved. Here, we investigate the reasons for this variation by studying the electronic structure of rutile-GeO2 using many-body perturbation theory within the GW framework. The bandgap as well as valence bandwidth at Γ-point of rutile phase shows a strong dependence on volume change, which is independent of bandgap underestimation problem of LDA/GGA. This strong dependence originates from a change in hybridization among O-p and Ge-(s and p) orbitals. Furthermore, the parabolic nature of first conduction band along X-Γ-M direction changes towards a linear dispersion with volume expansion.

Some comparisons of complexity in dictionary-based and linear computational models.

PubMed

Gnecco, Giorgio; Kůrková, Věra; Sanguineti, Marcello

2011-03-01

Neural networks provide a more flexible approximation of functions than traditional linear regression. In the latter, one can only adjust the coefficients in linear combinations of fixed sets of functions, such as orthogonal polynomials or Hermite functions, while for neural networks, one may also adjust the parameters of the functions which are being combined. However, some useful properties of linear approximators (such as uniqueness, homogeneity, and continuity of best approximation operators) are not satisfied by neural networks. Moreover, optimization of parameters in neural networks becomes more difficult than in linear regression. Experimental results suggest that these drawbacks of neural networks are offset by substantially lower model complexity, allowing accuracy of approximation even in high-dimensional cases. We give some theoretical results comparing requirements on model complexity for two types of approximators, the traditional linear ones and so called variable-basis types, which include neural networks, radial, and kernel models. We compare upper bounds on worst-case errors in variable-basis approximation with lower bounds on such errors for any linear approximator. Using methods from nonlinear approximation and integral representations tailored to computational units, we describe some cases where neural networks outperform any linear approximator. Copyright © 2010 Elsevier Ltd. All rights reserved.

Automating approximate Bayesian computation by local linear regression.

PubMed

Thornton, Kevin R

2009-07-07

In several biological contexts, parameter inference often relies on computationally-intensive techniques. "Approximate Bayesian Computation", or ABC, methods based on summary statistics have become increasingly popular. A particular flavor of ABC based on using a linear regression to approximate the posterior distribution of the parameters, conditional on the summary statistics, is computationally appealing, yet no standalone tool exists to automate the procedure. Here, I describe a program to implement the method. The software package ABCreg implements the local linear-regression approach to ABC. The advantages are: 1. The code is standalone, and fully-documented. 2. The program will automatically process multiple data sets, and create unique output files for each (which may be processed immediately in R), facilitating the testing of inference procedures on simulated data, or the analysis of multiple data sets. 3. The program implements two different transformation methods for the regression step. 4. Analysis options are controlled on the command line by the user, and the program is designed to output warnings for cases where the regression fails. 5. The program does not depend on any particular simulation machinery (coalescent, forward-time, etc.), and therefore is a general tool for processing the results from any simulation. 6. The code is open-source, and modular.Examples of applying the software to empirical data from Drosophila melanogaster, and testing the procedure on simulated data, are shown. In practice, the ABCreg simplifies implementing ABC based on local-linear regression.

The Prediction of Scattered Broadband Shock-Associated Noise

NASA Technical Reports Server (NTRS)

Miller, Steven A. E.

2015-01-01

A mathematical model is developed for the prediction of scattered broadband shock-associated noise. Model arguments are dependent on the vector Green's function of the linearized Euler equations, steady Reynolds-averaged Navier-Stokes solutions, and the two-point cross-correlation of the equivalent source. The equivalent source is dependent on steady Reynolds-averaged Navier-Stokes solutions of the jet flow, that capture the nozzle geometry and airframe surface. Contours of the time-averaged streamwise velocity component and turbulent kinetic energy are examined with varying airframe position relative to the nozzle exit. Propagation effects are incorporated by approximating the vector Green's function of the linearized Euler equations. This approximation involves the use of ray theory and an assumption that broadband shock-associated noise is relatively unaffected by the refraction of the jet shear layer. A non-dimensional parameter is proposed that quantifies the changes of the broadband shock-associated noise source with varying jet operating condition and airframe position. Scattered broadband shock-associated noise possesses a second set of broadband lobes that are due to the effect of scattering. Presented predictions demonstrate relatively good agreement compared to a wide variety of measurements.

Experimental and theoretical investigation of temperature effects on an interbedded betavoltaic employing epitaxial Si and bidirectional (63)Ni.

PubMed

Liu, Yunpeng; Tang, Xiaobin; Xu, Zhiheng; Hong, Liang; Chen, Da

2014-12-01

The performance of an interbedded betavoltaic employing epitaxial Si and bidirectional (63)Ni was measured and calculated at various temperatures. The experimental results indicate that the temperature dependence of the performance of interbedded betavoltaics is similar to that of monolayer betavoltaics: Voc and Pmax decrease approximately linearly with increasing temperature at low temperatures of 213.15-253.15K and decrease exponentially with increasing temperature at high temperatures of 253.15-333.15K. However, the calculation results indicate that the temperature dependences of Voc and Pmax are always linear at both high and low temperatures. Isc increases slightly with increasing temperature in both experiment and calculation. Copyright © 2014 Elsevier Ltd. All rights reserved.

Polarization of the light from the 3P(1)-2S(1) transition in proton beam excited helium. Ph.D. Thesis; [target gas pressure effects

NASA Technical Reports Server (NTRS)

Weinhous, M. S.

1973-01-01

Measurements of the polarization of the light from the 3 1p-2 1s transition in proton beam excited Helium have shown both a proton beam energy and Helium target gas pressure dependence. Results for the linear polarization fraction range from +2.6% at 100 keV proton energy to -5.5% at 450 keV. The zero crossover occurs at approximately 225 keV. This is in good agreement with other experimental work in the field, but in poor agreement with theoretical predictions. Measurements at He target gas pressures as low as .01 mtorr show that the linear polarization fraction is still pressure dependent at .01 mtorr.

A Gaussian framework for modeling effects of frequency-dependent attenuation, frequency-dependent scattering, and gating.

PubMed

Wear, Keith A

2002-11-01

For a wide range of applications in medical ultrasound, power spectra of received signals are approximately Gaussian. It has been established previously that an ultrasound beam with a Gaussian spectrum propagating through a medium with linear attenuation remains Gaussian. In this paper, Gaussian transformations are derived to model the effects of scattering (according to a power law, as is commonly applicable in soft tissues, especially over limited frequency ranges) and gating (with a Hamming window, a commonly used gate function). These approximations are shown to be quite accurate even for relatively broad band systems with fractional bandwidths approaching 100%. The theory is validated by experiments in phantoms consisting of glass particles suspended in agar.

Frequency-dependent laminar electroosmotic flow in a closed-end rectangular microchannel.

PubMed

Marcos; Yang, C; Ooi, K T; Wong, T N; Masliyah, J H

2004-07-15

This article presents an analysis of the frequency- and time-dependent electroosmotic flow in a closed-end rectangular microchannel. An exact solution to the modified Navier-Stokes equation governing the ac electroosmotic flow field is obtained by using the Green's function formulation in combination with a complex variable approach. An analytical expression for the induced backpressure gradient is derived. With the Debye-Hückel approximation, the electrical double-layer potential distribution in the channel is obtained by analytically solving the linearized two-dimensional Poisson-Boltzmann equation. Since the counterparts of the flow rate and the electrical current are shown to be linearly proportional to the applied electric field and the pressure gradient, Onsager's principle of reciprocity is demonstrated for transient and ac electroosmotic flows. The time evolution of the electroosmotic flow and the effect of a frequency-dependent ac electric field on the oscillating electroosmotic flow in a closed-end rectangular microchannel are examined. Specifically, the induced pressure gradient is analyzed under effects of the channel dimension and the frequency of electric field. In addition, based on the Stokes second problem, the solution of the slip velocity approximation is presented for comparison with the results obtained from the analytical scheme developed in this study. Copyright 2004 Elsevier Inc.

Histological Grading of Hepatocellular Carcinomas with Intravoxel Incoherent Motion Diffusion-weighted Imaging: Inconsistent Results Depending on the Fitting Method.

PubMed

Ichikawa, Shintaro; Motosugi, Utaroh; Hernando, Diego; Morisaka, Hiroyuki; Enomoto, Nobuyuki; Matsuda, Masanori; Onishi, Hiroshi

2018-04-10

To compare the abilities of three intravoxel incoherent motion (IVIM) imaging approximation methods to discriminate the histological grade of hepatocellular carcinomas (HCCs). Fifty-eight patients (60 HCCs) underwent IVIM imaging with 11 b-values (0-1000 s/mm 2 ). Slow (D) and fast diffusion coefficients (D * ) and the perfusion fraction (f) were calculated for the HCCs using the mean signal intensities in regions of interest drawn by two radiologists. Three approximation methods were used. First, all three parameters were obtained simultaneously using non-linear fitting (method A). Second, D was obtained using linear fitting (b = 500 and 1000), followed by non-linear fitting for D * and f (method B). Third, D was obtained by linear fitting, f was obtained using the regression line intersection and signals at b = 0, and non-linear fitting was used for D * (method C). A receiver operating characteristic analysis was performed to reveal the abilities of these methods to distinguish poorly-differentiated from well-to-moderately-differentiated HCCs. Inter-reader agreements were assessed using intraclass correlation coefficients (ICCs). The measurements of D, D * , and f in methods B and C (Az-value, 0.658-0.881) had better discrimination abilities than did those in method A (Az-value, 0.527-0.607). The ICCs of D and f were good to excellent (0.639-0.835) with all methods. The ICCs of D * were moderate with methods B (0.580) and C (0.463) and good with method A (0.705). The IVIM parameters may vary depending on the fitting methods, and therefore, further technical refinement may be needed.

Viscous properties of isotropic fluids composed of linear molecules: departure from the classical Navier-Stokes theory in nano-confined geometries.

PubMed

Hansen, J S; Daivis, Peter J; Todd, B D

2009-10-01

In this paper we present equilibrium molecular-dynamics results for the shear, rotational, and spin viscosities for fluids composed of linear molecules. The density dependence of the shear viscosity follows a stretched exponential function, whereas the rotational viscosity and the spin viscosities show approximately power-law dependencies. The frequency-dependent shear and spin viscosities are also studied. It is found that viscoelastic behavior is first manifested in the shear viscosity and that the real part of the spin viscosities features a maximum for nonzero frequency. The calculated transport coefficients are used together with the extended Navier-Stokes equations to investigate the effect of the coupling between the intrinsic angular momentum and linear momentum for highly confined fluids. Both steady and oscillatory flows are studied. It is shown, for example, that the fluid flow rate for Poiseuille flow is reduced by up to 10% in a 2 nm channel for a buta-triene fluid at density 236 kg m(-3) and temperature 306 K. The coupling effect may, therefore, become very important for nanofluidic applications.

Energy dependence corrections to MOSFET dosimetric sensitivity.

PubMed

Cheung, T; Butson, M J; Yu, P K N

2009-03-01

Metal Oxide Semiconductor Field Effect Transistors (MOSFET's) are dosimeters which are now frequently utilized in radiotherapy treatment applications. An improved MOSFET, clinical semiconductor dosimetry system (CSDS) which utilizes improved packaging for the MOSFET device has been studied for energy dependence of sensitivity to x-ray radiation measurement. Energy dependence from 50 kVp to 10 MV x-rays has been studied and found to vary by up to a factor of 3.2 with 75 kVp producing the highest sensitivity response. The detectors average life span in high sensitivity mode is energy related and ranges from approximately 100 Gy for 75 kVp x-rays to approximately 300 Gy at 6 MV x-ray energy. The MOSFET detector has also been studied for sensitivity variations with integrated dose history. It was found to become less sensitive to radiation with age and the magnitude of this effect is dependant on radiation energy with lower energies producing a larger sensitivity reduction with integrated dose. The reduction in sensitivity is however approximated reproducibly by a slightly non linear, second order polynomial function allowing corrections to be made to readings to account for this effect to provide more accurate dose assessments both in phantom and in-vivo.

Finite-Dimensional Representations for Controlled Diffusions with Delay

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

Federico, Salvatore, E-mail: salvatore.federico@unimi.it; Tankov, Peter, E-mail: tankov@math.univ-paris-diderot.fr

2015-02-15

We study stochastic delay differential equations (SDDE) where the coefficients depend on the moving averages of the state process. As a first contribution, we provide sufficient conditions under which the solution of the SDDE and a linear path functional of it admit a finite-dimensional Markovian representation. As a second contribution, we show how approximate finite-dimensional Markovian representations may be constructed when these conditions are not satisfied, and provide an estimate of the error corresponding to these approximations. These results are applied to optimal control and optimal stopping problems for stochastic systems with delay.

Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals

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

Zuehlsdorff, T. J., E-mail: tjz21@cam.ac.uk; Payne, M. C.; Hine, N. D. M.

2015-11-28

We present a solution of the full time-dependent density-functional theory (TDDFT) eigenvalue equation in the linear response formalism exhibiting a linear-scaling computational complexity with system size, without relying on the simplifying Tamm-Dancoff approximation (TDA). The implementation relies on representing the occupied and unoccupied subspaces with two different sets of in situ optimised localised functions, yielding a very compact and efficient representation of the transition density matrix of the excitation with the accuracy associated with a systematic basis set. The TDDFT eigenvalue equation is solved using a preconditioned conjugate gradient algorithm that is very memory-efficient. The algorithm is validated on amore » small test molecule and a good agreement with results obtained from standard quantum chemistry packages is found, with the preconditioner yielding a significant improvement in convergence rates. The method developed in this work is then used to reproduce experimental results of the absorption spectrum of bacteriochlorophyll in an organic solvent, where it is demonstrated that the TDA fails to reproduce the main features of the low energy spectrum, while the full TDDFT equation yields results in good qualitative agreement with experimental data. Furthermore, the need for explicitly including parts of the solvent into the TDDFT calculations is highlighted, making the treatment of large system sizes necessary that are well within reach of the capabilities of the algorithm introduced here. Finally, the linear-scaling properties of the algorithm are demonstrated by computing the lowest excitation energy of bacteriochlorophyll in solution. The largest systems considered in this work are of the same order of magnitude as a variety of widely studied pigment-protein complexes, opening up the possibility of studying their properties without having to resort to any semiclassical approximations to parts of the protein environment.« less

Multielectron effects in the photoelectron momentum distribution of noble-gas atoms driven by visible-to-infrared-frequency laser pulses: A time-dependent density-functional-theory approach

NASA Astrophysics Data System (ADS)

Murakami, Mitsuko; Zhang, G. P.; Chu, Shih-I.

2017-05-01

We present the photoelectron momentum distributions (PMDs) of helium, neon, and argon atoms driven by a linearly polarized, visible (527-nm) or near-infrared (800-nm) laser pulse (20 optical cycles in duration) based on the time-dependent density-functional theory (TDDFT) under the local-density approximation with a self-interaction correction. A set of time-dependent Kohn-Sham equations for all electrons in an atom is numerically solved using the generalized pseudospectral method. An effect of the electron-electron interaction driven by a visible laser field is not recognizable in the helium and neon PMDs except for a reduction of the overall photoelectron yield, but there is a clear difference between the PMDs of an argon atom calculated with the frozen-core approximation and TDDFT, indicating an interference of its M -shell wave functions during the ionization. Furthermore, we find that the PMDs of degenerate p states are well separated in intensity when driven by a near-infrared laser field, so that the single-active-electron approximation can be adopted safely.

Initial conditions for accurate N-body simulations of massive neutrino cosmologies

NASA Astrophysics Data System (ADS)

Zennaro, M.; Bel, J.; Villaescusa-Navarro, F.; Carbone, C.; Sefusatti, E.; Guzzo, L.

2017-04-01

The set-up of the initial conditions in cosmological N-body simulations is usually implemented by rescaling the desired low-redshift linear power spectrum to the required starting redshift consistently with the Newtonian evolution of the simulation. The implementation of this practical solution requires more care in the context of massive neutrino cosmologies, mainly because of the non-trivial scale-dependence of the linear growth that characterizes these models. In this work, we consider a simple two-fluid, Newtonian approximation for cold dark matter and massive neutrinos perturbations that can reproduce the cold matter linear evolution predicted by Boltzmann codes such as CAMB or CLASS with a 0.1 per cent accuracy or below for all redshift relevant to non-linear structure formation. We use this description, in the first place, to quantify the systematic errors induced by several approximations often assumed in numerical simulations, including the typical set-up of the initial conditions for massive neutrino cosmologies adopted in previous works. We then take advantage of the flexibility of this approach to rescale the late-time linear power spectra to the simulation initial redshift, in order to be as consistent as possible with the dynamics of the N-body code and the approximations it assumes. We implement our method in a public code (REPS rescaled power spectra for initial conditions with massive neutrinos https://github.com/matteozennaro/reps) providing the initial displacements and velocities for cold dark matter and neutrino particles that will allow accurate, I.e. 1 per cent level, numerical simulations for this cosmological scenario.

Photonic Devices and Systems for Optical Signal Processing

DTIC Science & Technology

1993-08-01

efficiency can either increase or decrease with improving mirror quality depending on the relative amounts of optical loss due to the mirror...Gs is dependent on the degree of confinement of the TE and TM modes in the wave guide and the average intensity of light in the cavity. It is given...Approximately 80% of the optical power from the main laser with the 36 mA threshold can be quenched. Note the linear decrease in main laser intensity as the

On Time Delay Margin Estimation for Adaptive Control and Optimal Control Modification

NASA Technical Reports Server (NTRS)

Nguyen, Nhan T.

2011-01-01

This paper presents methods for estimating time delay margin for adaptive control of input delay systems with almost linear structured uncertainty. The bounded linear stability analysis method seeks to represent an adaptive law by a locally bounded linear approximation within a small time window. The time delay margin of this input delay system represents a local stability measure and is computed analytically by three methods: Pade approximation, Lyapunov-Krasovskii method, and the matrix measure method. These methods are applied to the standard model-reference adaptive control, s-modification adaptive law, and optimal control modification adaptive law. The windowing analysis results in non-unique estimates of the time delay margin since it is dependent on the length of a time window and parameters which vary from one time window to the next. The optimal control modification adaptive law overcomes this limitation in that, as the adaptive gain tends to infinity and if the matched uncertainty is linear, then the closed-loop input delay system tends to a LTI system. A lower bound of the time delay margin of this system can then be estimated uniquely without the need for the windowing analysis. Simulation results demonstrates the feasibility of the bounded linear stability method for time delay margin estimation.

Ultra-sensitive pressure dependence of bandgap of rutile-GeO{sub 2} revealed by many body perturbation theory

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

Samanta, Atanu; Singh, Abhishek K.; Jain, Manish

2015-08-14

The reported values of bandgap of rutile GeO{sub 2} calculated by the standard density functional theory within local-density approximation (LDA)/generalized gradient approximation (GGA) show a wide variation (∼2 eV), whose origin remains unresolved. Here, we investigate the reasons for this variation by studying the electronic structure of rutile-GeO{sub 2} using many-body perturbation theory within the GW framework. The bandgap as well as valence bandwidth at Γ-point of rutile phase shows a strong dependence on volume change, which is independent of bandgap underestimation problem of LDA/GGA. This strong dependence originates from a change in hybridization among O-p and Ge-(s and p)more » orbitals. Furthermore, the parabolic nature of first conduction band along X-Γ-M direction changes towards a linear dispersion with volume expansion.« less

Computing Finite-Time Lyapunov Exponents with Optimally Time Dependent Reduction

NASA Astrophysics Data System (ADS)

Babaee, Hessam; Farazmand, Mohammad; Sapsis, Themis; Haller, George

2016-11-01

We present a method to compute Finite-Time Lyapunov Exponents (FTLE) of a dynamical system using Optimally Time-Dependent (OTD) reduction recently introduced by H. Babaee and T. P. Sapsis. The OTD modes are a set of finite-dimensional, time-dependent, orthonormal basis {ui (x , t) } |i=1N that capture the directions associated with transient instabilities. The evolution equation of the OTD modes is derived from a minimization principle that optimally approximates the most unstable directions over finite times. To compute the FTLE, we evolve a single OTD mode along with the nonlinear dynamics. We approximate the FTLE from the reduced system obtained from projecting the instantaneous linearized dynamics onto the OTD mode. This results in a significant reduction in the computational cost compared to conventional methods for computing FTLE. We demonstrate the efficiency of our method for double Gyre and ABC flows. ARO project 66710-EG-YIP.

Random function theory revisited - Exact solutions versus the first order smoothing conjecture

NASA Technical Reports Server (NTRS)

Lerche, I.; Parker, E. N.

1975-01-01

We remark again that the mathematical conjecture known as first order smoothing or the quasi-linear approximation does not give the correct dependence on correlation length (time) in many cases, although it gives the correct limit as the correlation length (time) goes to zero. In this sense, then, the method is unreliable.

Memory behaviors of entropy production rates in heat conduction

NASA Astrophysics Data System (ADS)

Li, Shu-Nan; Cao, Bing-Yang

2018-02-01

Based on the relaxation time approximation and first-order expansion, memory behaviors in heat conduction are found between the macroscopic and Boltzmann-Gibbs-Shannon (BGS) entropy production rates with exponentially decaying memory kernels. In the frameworks of classical irreversible thermodynamics (CIT) and BGS statistical mechanics, the memory dependency on the integrated history is unidirectional, while for the extended irreversible thermodynamics (EIT) and BGS entropy production rates, the memory dependences are bidirectional and coexist with the linear terms. When macroscopic and microscopic relaxation times satisfy a specific relationship, the entropic memory dependences will be eliminated. There also exist initial effects in entropic memory behaviors, which decay exponentially. The second-order term are also discussed, which can be understood as the global non-equilibrium degree. The effects of the second-order term are consisted of three parts: memory dependency, initial value and linear term. The corresponding memory kernels are still exponential and the initial effects of the global non-equilibrium degree also decay exponentially.

Control of π-Electron Rotations in Chiral Aromatic Molecules Using Intense Laser Pulses

NASA Astrophysics Data System (ADS)

Kanno, Manabu; Kono, Hirohiko; Fujimura, Yuichi

Our recent theoretical studies on laser-induced π-electron rotations in chiral aromatic molecules are reviewed. π electrons of a chiral aromatic molecule can be rotated along its aromatic ring by a nonhelical, linearly polarized laser pulse. An ansa aromatic molecule with a six-membered ring, 2,5-dichloro[n](3,6) pyrazinophane, which belongs to a planar-chiral molecule group, and its simplified molecule 2,5-dichloropyrazine are taken as model molecules. Electron wavepacket simulations in the frozen-molecular-vibration approximation show that the initial direction of π-electron rotation depends on the polarization direction of a linearly polarized laser pulse applied. Consecutive unidirectional rotation can be achieved by applying a sequence of linearly polarized pump and dump pulses to prevent reverse rotation. Optimal control simulations of π-electron rotation show that another controlling factor for unidirectional rotation is the relative optical phase between the different frequency components of an incident pulse in addition to photon polarization direction. Effects of nonadiabatic coupling between π-electron rotation and molecular vibrations are also presented, where the constraints of the frozen approximation are removed. The angular momentum gradually decays mainly owing to nonadiabatic coupling, while the vibrational amplitudes greatly depend on their rotation direction. This suggests that the direction of π-electron rotation on an attosecond timescale can be identified by detecting femtosecond molecular vibrations.

Bounding solutions of geometrically nonlinear viscoelastic problems

NASA Technical Reports Server (NTRS)

Stubstad, J. M.; Simitses, G. J.

1985-01-01

Integral transform techniques, such as the Laplace transform, provide simple and direct methods for solving viscoelastic problems formulated within a context of linear material response and using linear measures for deformation. Application of the transform operator reduces the governing linear integro-differential equations to a set of algebraic relations between the transforms of the unknown functions, the viscoelastic operators, and the initial and boundary conditions. Inversion either directly or through the use of the appropriate convolution theorem, provides the time domain response once the unknown functions have been expressed in terms of sums, products or ratios of known transforms. When exact inversion is not possible approximate techniques may provide accurate results. The overall problem becomes substantially more complex when nonlinear effects must be included. Situations where a linear material constitutive law can still be productively employed but where the magnitude of the resulting time dependent deformations warrants the use of a nonlinear kinematic analysis are considered. The governing equations will be nonlinear integro-differential equations for this class of problems. Thus traditional as well as approximate techniques, such as cited above, cannot be employed since the transform of a nonlinear function is not explicitly expressible.

Bounding solutions of geometrically nonlinear viscoelastic problems

NASA Technical Reports Server (NTRS)

Stubstad, J. M.; Simitses, G. J.

1986-01-01

Integral transform techniques, such as the Laplace transform, provide simple and direct methods for solving viscoelastic problems formulated within a context of linear material response and using linear measures for deformation. Application of the transform operator reduces the governing linear integro-differential equations to a set of algebraic relations between the transforms of the unknown functions, the viscoelastic operators, and the initial and boundary conditions. Inversion either directly or through the use of the appropriate convolution theorem, provides the time domain response once the unknown functions have been expressed in terms of sums, products or ratios of known transforms. When exact inversion is not possible approximate techniques may provide accurate results. The overall problem becomes substantially more complex when nonlinear effects must be included. Situations where a linear material constitutive law can still be productively employed but where the magnitude of the resulting time dependent deformations warrants the use of a nonlinear kinematic analysis are considered. The governing equations will be nonlinear integro-differential equations for this class of problems. Thus traditional as well as approximate techniques, such as cited above, cannot be employed since the transform of a nonlinear function is not explicitly expressible.

Highly Accurate Analytical Approximate Solution to a Nonlinear Pseudo-Oscillator

NASA Astrophysics Data System (ADS)

Wu, Baisheng; Liu, Weijia; Lim, C. W.

2017-07-01

A second-order Newton method is presented to construct analytical approximate solutions to a nonlinear pseudo-oscillator in which the restoring force is inversely proportional to the dependent variable. The nonlinear equation is first expressed in a specific form, and it is then solved in two steps, a predictor and a corrector step. In each step, the harmonic balance method is used in an appropriate manner to obtain a set of linear algebraic equations. With only one simple second-order Newton iteration step, a short, explicit, and highly accurate analytical approximate solution can be derived. The approximate solutions are valid for all amplitudes of the pseudo-oscillator. Furthermore, the method incorporates second-order Taylor expansion in a natural way, and it is of significant faster convergence rate.

Intelligent robust tracking control for a class of uncertain strict-feedback nonlinear systems.

PubMed

Chang, Yeong-Chan

2009-02-01

This paper addresses the problem of designing robust tracking controls for a large class of strict-feedback nonlinear systems involving plant uncertainties and external disturbances. The input and virtual input weighting matrices are perturbed by bounded time-varying uncertainties. An adaptive fuzzy-based (or neural-network-based) dynamic feedback tracking controller will be developed such that all the states and signals of the closed-loop system are bounded and the trajectory tracking error should be as small as possible. First, the adaptive approximators with linearly parameterized models are designed, and a partitioned procedure with respect to the developed adaptive approximators is proposed such that the implementation of the fuzzy (or neural network) basis functions depends only on the state variables but does not depend on the tuning approximation parameters. Furthermore, we extend to design the nonlinearly parameterized adaptive approximators. Consequently, the intelligent robust tracking control schemes developed in this paper possess the properties of computational simplicity and easy implementation. Finally, simulation examples are presented to demonstrate the effectiveness of the proposed control algorithms.

Piecewise linear approximation for hereditary control problems

NASA Technical Reports Server (NTRS)

Propst, Georg

1987-01-01

Finite dimensional approximations are presented for linear retarded functional differential equations by use of discontinuous piecewise linear functions. The approximation scheme is applied to optimal control problems when a quadratic cost integral has to be minimized subject to the controlled retarded system. It is shown that the approximate optimal feedback operators converge to the true ones both in case the cost integral ranges over a finite time interval as well as in the case it ranges over an infinite time interval. The arguments in the latter case rely on the fact that the piecewise linear approximations to stable systems are stable in a uniform sense. This feature is established using a vector-component stability criterion in the state space R(n) x L(2) and the favorable eigenvalue behavior of the piecewise linear approximations.

Rapid-mix and chemical quench studies of ferredoxin-reduced stearoyl-acyl carrier protein desaturase.

PubMed

Lyle, Karen S; Haas, Jeffrey A; Fox, Brian G

2003-05-20

Stearoyl-ACP Delta9 desaturase (Delta9D) catalyzes the NADPH- and O(2)-dependent insertion of a cis double bond between the C9 and C10 positions of stearoyl-ACP (18:0-ACP) to produce oleoyl-ACP (18:1-ACP). This work revealed the ability of reduced [2Fe-2S] ferredoxin (Fd) to act as a catalytically competent electron donor during the rapid conversion of 18:0-ACP into 18:1-ACP. Experiments on the order of addition for substrate and reduced Fd showed high conversion of 18:0-ACP to 18:1-ACP (approximately 95% per Delta9D active site in a single turnover) when 18:0-ACP was added prior to reduced Fd. Reactions of the prereduced enzyme-substrate complex with O(2) and the oxidized enzyme-substrate complex with reduced Fd were studied by rapid-mix and chemical quench methods. For reaction of the prereduced enzyme-substrate complex, an exponential burst phase (k(burst) = 95 s(-1)) of product formation accounted for approximately 90% of the turnover expected for one subunit in the dimeric protein. This rapid phase was followed by a slower phase (k(linear) = 4.0 s(-1)) of product formation corresponding to the turnover expected from the second subunit. For reaction of the oxidized enzyme-substrate complex with excess reduced Fd, a slower, linear rate (k(obsd) = 3.4 s(-1)) of product formation was observed over approximately 1.5 turnovers per Delta9D active site potentially corresponding to a third phase of reaction. An analysis of the deuterium isotope effect on the two rapid-mix reaction sequences revealed only a modest effect on k(burst) ((D)k(burst) approximately 1.5) and k(linear) (D)k(linear) approximately 1.4), indicating C-H bond cleavage does not contribute significantly to the rate-limiting steps of pre-steady-state catalysis. These results were used to assemble and evaluate a minimal kinetic model for Delta9D catalysis.

A Group Action Method for Construction of Strong Substitution Box

NASA Astrophysics Data System (ADS)

Jamal, Sajjad Shaukat; Shah, Tariq; Attaullah, Atta

2017-06-01

In this paper, the method to develop cryptographically strong substitution box is presented which can be used in multimedia security and data hiding techniques. The algorithm of construction depends on the action of a projective general linear group over the set of units of the finite commutative ring. The strength of substitution box and ability to create confusion is assessed with different available analyses. Moreover, the ability of resistance against malicious attacks is also evaluated. The substitution box is examined by bit independent criterion, strict avalanche criterion, nonlinearity test, linear approximation probability test and differential approximation probability test. This substitution box is equated with well-recognized substitution boxes such as AES, Gray, APA, S8, prime of residue, Xyi and Skipjack. The comparison shows encouraging results about the strength of the proposed box. The majority logic criterion is also calculated to analyze the strength and its practical implementation.

Output-Feedback Control of Unknown Linear Discrete-Time Systems With Stochastic Measurement and Process Noise via Approximate Dynamic Programming.

PubMed

Wang, Jun-Sheng; Yang, Guang-Hong

2017-07-25

This paper studies the optimal output-feedback control problem for unknown linear discrete-time systems with stochastic measurement and process noise. A dithered Bellman equation with the innovation covariance matrix is constructed via the expectation operator given in the form of a finite summation. On this basis, an output-feedback-based approximate dynamic programming method is developed, where the terms depending on the innovation covariance matrix are available with the aid of the innovation covariance matrix identified beforehand. Therefore, by iterating the Bellman equation, the resulting value function can converge to the optimal one in the presence of the aforementioned noise, and the nearly optimal control laws are delivered. To show the effectiveness and the advantages of the proposed approach, a simulation example and a velocity control experiment on a dc machine are employed.

Phase unwrapping algorithm using polynomial phase approximation and linear Kalman filter.

PubMed

Kulkarni, Rishikesh; Rastogi, Pramod

2018-02-01

A noise-robust phase unwrapping algorithm is proposed based on state space analysis and polynomial phase approximation using wrapped phase measurement. The true phase is approximated as a two-dimensional first order polynomial function within a small sized window around each pixel. The estimates of polynomial coefficients provide the measurement of phase and local fringe frequencies. A state space representation of spatial phase evolution and the wrapped phase measurement is considered with the state vector consisting of polynomial coefficients as its elements. Instead of using the traditional nonlinear Kalman filter for the purpose of state estimation, we propose to use the linear Kalman filter operating directly with the wrapped phase measurement. The adaptive window width is selected at each pixel based on the local fringe density to strike a balance between the computation time and the noise robustness. In order to retrieve the unwrapped phase, either a line-scanning approach or a quality guided strategy of pixel selection is used depending on the underlying continuous or discontinuous phase distribution, respectively. Simulation and experimental results are provided to demonstrate the applicability of the proposed method.

A New Ghost Cell/Level Set Method for Moving Boundary Problems: Application to Tumor Growth

PubMed Central

Macklin, Paul

2011-01-01

In this paper, we present a ghost cell/level set method for the evolution of interfaces whose normal velocity depend upon the solutions of linear and nonlinear quasi-steady reaction-diffusion equations with curvature-dependent boundary conditions. Our technique includes a ghost cell method that accurately discretizes normal derivative jump boundary conditions without smearing jumps in the tangential derivative; a new iterative method for solving linear and nonlinear quasi-steady reaction-diffusion equations; an adaptive discretization to compute the curvature and normal vectors; and a new discrete approximation to the Heaviside function. We present numerical examples that demonstrate better than 1.5-order convergence for problems where traditional ghost cell methods either fail to converge or attain at best sub-linear accuracy. We apply our techniques to a model of tumor growth in complex, heterogeneous tissues that consists of a nonlinear nutrient equation and a pressure equation with geometry-dependent jump boundary conditions. We simulate the growth of glioblastoma (an aggressive brain tumor) into a large, 1 cm square of brain tissue that includes heterogeneous nutrient delivery and varied biomechanical characteristics (white matter, gray matter, cerebrospinal fluid, and bone), and we observe growth morphologies that are highly dependent upon the variations of the tissue characteristics—an effect observed in real tumor growth. PMID:21331304

Landau-Zener extension of the Tavis-Cummings model: Structure of the solution

DOE PAGES

Sun, Chen; Sinitsyn, Nikolai A.

2016-09-07

We explore the recently discovered solution of the driven Tavis-Cummings model (DTCM). It describes interaction of an arbitrary number of two-level systems with a bosonic mode that has linearly time-dependent frequency. We derive compact and tractable expressions for transition probabilities in terms of the well-known special functions. In this form, our formulas are suitable for fast numerical calculations and analytical approximations. As an application, we obtain the semiclassical limit of the exact solution and compare it to prior approximations. Furthermore, we also reveal connection between DTCM and q-deformed binomial statistics.

Transformation of two and three-dimensional regions by elliptic systems

NASA Technical Reports Server (NTRS)

Mastin, C. Wayne

1991-01-01

A reliable linear system is presented for grid generation in 2-D and 3-D. The method is robust in the sense that convergence is guaranteed but is not as reliable as other nonlinear elliptic methods in generating nonfolding grids. The construction of nonfolding grids depends on having reasonable approximations of cell aspect ratios and an appropriate distribution of grid points on the boundary of the region. Some guidelines are included on approximating the aspect ratios, but little help is offered on setting up the boundary grid other than to say that in 2-D the boundary correspondence should be close to that generated by a conformal mapping. It is assumed that the functions which control the grid distribution depend only on the computational variables and not on the physical variables. Whether this is actually the case depends on how the grid is constructed. In a dynamic adaptive procedure where the grid is constructed in the process of solving a fluid flow problem, the grid is usually updated at fixed iteration counts using the current value of the control function. Since the control function is not being updated during the iteration of the grid equations, the grid construction is a linear procedure. However, in the case of a static adaptive procedure where a trial solution is computed and used to construct an adaptive grid, the control functions may be recomputed at every step of the grid iteration.

The Angular Three-Point Correlation Function in the Quasi-linear Regime

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

Buchalter, Ari; Kamionkowski, Marc; Jaffe, Andrew H.

2000-02-10

We calculate the normalized angular three-point correlation function (3PCF), q, as well as the normalized angular skewness, s{sub 3}, assuming the small-angle approximation, for a biased mass distribution in flat and open cold dark matter (CDM) models with Gaussian initial conditions. The leading-order perturbative results incorporate the explicit dependence on the cosmological parameters, the shape of the CDM transfer function, the linear evolution of the power spectrum, the form of the assumed redshift distribution function, and linear and nonlinear biasing, which may be evolving. Results are presented for different redshift distributions, including that appropriate for the APM Galaxy Survey, asmore » well as for a survey with a mean redshift of z{approx_equal}1 (such as the VLA FIRST Survey). Qualitatively, many of the results found for s{sub 3} and q are similar to those obtained in a related treatment of the spatial skewness and 3PCF, such as a leading-order correction to the standard result for s{sub 3} in the case of nonlinear bias (as defined for unsmoothed density fields), and the sensitivity of the configuration dependence of q to both cosmological and biasing models. We show that since angular correlation functions (CFs) are sensitive to clustering over a range of redshifts, the various evolutionary dependences included in our predictions imply that measurements of q in a deep survey might better discriminate between models with different histories, such as evolving versus nonevolving bias, that can have similar spatial CFs at low redshift. Our calculations employ a derived equation, valid for open, closed, and flat models, to obtain the angular bispectrum from the spatial bispectrum in the small-angle approximation. (c) (c) 2000. The American Astronomical Society.« less

Linear optical response of carbon nanotubes under axial magnetic field

NASA Astrophysics Data System (ADS)

Moradian, Rostam; Chegel, Raad; Behzad, Somayeh

2010-04-01

We considered single walled carbon naotubes (SWCNTs) as real three dimensional (3D) systems in a cylindrical coordinate. The optical matrix elements and linear susceptibility, χ(ω), in the tight binding approximation in terms of one-dimensional wave vector, kz and subband index, l are calculated. In an external axial magnetic field optical frequency dependence of linear susceptibility are investigated. We found that axial magnetic field has two effects on the imaginary part of the linear susceptibility spectrum, in agreement with experimental results. The first effect is broadening and the second, splitting. Also we found that for all metallic zigzag and armchair SWCNTs, the axial magnetic field leads to the creation of a peak with energy less than 1.5 eV, contrary to what is observed in the absence of a magnetic field.

Multiphoton ionization of many-electron atoms and highly-charged ions in intense laser fields: a relativistic time-dependent density functional theory approach

NASA Astrophysics Data System (ADS)

Tumakov, Dmitry A.; Telnov, Dmitry A.; Maltsev, Ilia A.; Plunien, Günter; Shabaev, Vladimir M.

2017-10-01

We develop an efficient numerical implementation of the relativistic time-dependent density functional theory (RTDDFT) to study multielectron highly-charged ions subject to intense linearly-polarized laser fields. The interaction with the electromagnetic field is described within the electric dipole approximation. The resulting time-dependent relativistic Kohn-Sham (RKS) equations possess an axial symmetry and are solved accurately and efficiently with the help of the time-dependent generalized pseudospectral method. As a case study, we calculate multiphoton ionization probabilities of the neutral argon atom and argon-like xenon ion. Relativistic effects are assessed by comparison of our present results with existing non-relativistic data.

Towards a universal master curve in magnetorheology

NASA Astrophysics Data System (ADS)

Ruiz-López, José Antonio; Hidalgo-Alvarez, Roque; de Vicente, Juan

2017-05-01

We demonstrate that inverse ferrofluids behave as model magnetorheological fluids. A universal master curve is proposed, using a reduced Mason number, under the frame of a structural viscosity model where the magnetic field strength dependence is solely contained in the Mason number and the particle concentration is solely contained in the critical Mason number (i.e. the yield stress). A linear dependence of the critical Mason number with the particle concentration is observed that is in good agreement with a mean (average) magnetization approximation, particle level dynamic simulations and micromechanical models available in the literature.

Electrostatic persistence length.

PubMed

Fixman, Marshall

2010-03-11

The persistence length is calculated for polyelectrolyte chains with fixed bond lengths and bond angles (pi-theta), and a potential energy consisting of the screened Coulomb interaction between beads, potential wells alpha phi(i)2 for the dihedral angles phi(i), and coupling terms beta phi(i) phi(i+/-1). This model defines a librating chain that reduces in appropriate limits to the freely rotating or wormlike chains, it can accommodate local crumpling or extreme stiffness, and it is easy to simulate. A planar-quadratic (pq), analytic approximation is based on an expansion of the electrostatic energy in eigenfunctions of the quadratic form that describes the backbone energy, and on the assumption that the quadratic form not only is positive but also adequately confines the chain in an infinite phase space of dihedral angles to the physically unique part with all |phi(i)| < pi. The pq approximation is available under these weak constraints, but the simulations confirm its quantitative accuracy only under the expected condition that alpha is large, that is, for very stiff chains. Stiff chains can also be simulated with small alpha and small theta and compared to an OSF approximation suitably generalized to chains with finite rather than vanishing theta, and increasing agreement with OSF is found the smaller is theta. The two approximations, one becoming exact as alpha --> infinity with fixed theta, the other as theta --> 0 with fixed alpha, are quantitatively similar in behavior, both giving a persistence length P = P0 + aD2 for stiff chains, where D is the Debye length. However, the coefficient apq is about twice the value of aOSF. Under other conditions the simulations show that P may or not be linear in D2 at small or moderate D, depending on the magnitudes of alpha, beta, theta, and the charge density but always becomes linear at large D. Even at a moderately low charge density, corresponding to fewer than 20% of the beads being charged, and with strong crumpling induced by large beta, increasing D dissolves blobs and recovers a linear dependence of P on D2, although a lower power of D gives an adequate fit at moderate D. For the class of models considered, it is concluded that the only universal feature is the asymptotic linearity of P in D2, regardless of flexibility or stiffness.

Optimal Linear Responses for Markov Chains and Stochastically Perturbed Dynamical Systems

NASA Astrophysics Data System (ADS)

Antown, Fadi; Dragičević, Davor; Froyland, Gary

2018-03-01

The linear response of a dynamical system refers to changes to properties of the system when small external perturbations are applied. We consider the little-studied question of selecting an optimal perturbation so as to (i) maximise the linear response of the equilibrium distribution of the system, (ii) maximise the linear response of the expectation of a specified observable, and (iii) maximise the linear response of the rate of convergence of the system to the equilibrium distribution. We also consider the inhomogeneous, sequential, or time-dependent situation where the governing dynamics is not stationary and one wishes to select a sequence of small perturbations so as to maximise the overall linear response at some terminal time. We develop the theory for finite-state Markov chains, provide explicit solutions for some illustrative examples, and numerically apply our theory to stochastically perturbed dynamical systems, where the Markov chain is replaced by a matrix representation of an approximate annealed transfer operator for the random dynamical system.

The effect of compressive viscosity and thermal conduction on the longitudinal MHD waves

NASA Astrophysics Data System (ADS)

Bahari, K.; Shahhosaini, N.

2018-05-01

longitudinal Magnetohydrodynamic (MHD) oscillations have been studied in a slowly cooling coronal loop, in the presence of thermal conduction and compressive viscosity, in the linear MHD approximation. WKB method has been used to solve the governing equations. In the leading order approximation the dispersion relation has been obtained, and using the first order approximation the time dependent amplitude has been determined. Cooling causes the oscillations to amplify and damping mechanisms are more efficient in hot loops. In cool loops the oscillation amplitude increases with time but in hot loops the oscillation amplitude decreases with time. Our conclusion is that in hot loops the efficiency of the compressive viscosity in damping longitudinal waves is comparable to that of the thermal conduction.

The effect of compressive viscosity and thermal conduction on the longitudinal MHD waves

NASA Astrophysics Data System (ADS)

Bahari, K.; Shahhosaini, N.

2018-07-01

Longitudinal magnetohydrodynamic (MHD) oscillations have been studied in a slowly cooling coronal loop, in the presence of thermal conduction and compressive viscosity, in the linear MHD approximation. The WKB method has been used to solve the governing equations. In the leading order approximation the dispersion relation has been obtained, and using the first-order approximation the time-dependent amplitude has been determined. Cooling causes the oscillations to amplify and damping mechanisms are more efficient in hot loops. In cool loops the oscillation amplitude increases with time but in hot loops the oscillation amplitude decreases with time. Our conclusion is that in hot loops the efficiency of the compressive viscosity in damping longitudinal waves is comparable to that of the thermal conduction.

Robust Algorithms for on Minor-Free Graphs Based on the Sherali-Adams Hierarchy

NASA Astrophysics Data System (ADS)

Magen, Avner; Moharrami, Mohammad

This work provides a Linear Programming-based Polynomial Time Approximation Scheme (PTAS) for two classical NP-hard problems on graphs when the input graph is guaranteed to be planar, or more generally Minor Free. The algorithm applies a sufficiently large number (some function of when approximation is required) of rounds of the so-called Sherali-Adams Lift-and-Project system. needed to obtain a -approximation, where f is some function that depends only on the graph that should be avoided as a minor. The problem we discuss are the well-studied problems, the and problems. An curious fact we expose is that in the world of minor-free graph, the is harder in some sense than the.

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package.

PubMed

Womack, James C; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-11-28

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package

NASA Astrophysics Data System (ADS)

Womack, James C.; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-11-01

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

Linear analysis of time dependent properties of Child-Langmuir flow

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

Rokhlenko, A.

We continue our analysis of the time dependent behavior of the electron flow in the Child-Langmuir system, removing an approximation used earlier. We find a modified set of oscillatory decaying modes with frequencies of the same order as the inverse of the electron transient time. This range (typically MHz) allows simple experimental detection and maybe exploitation. We then study the time evolution of the current in response to a slow change of the anode voltage where the same modes of oscillations appear too. The cathode current in this case is systematically advanced or retarded depending on the direction of themore » voltage change.« less

The effect of temperature and dot size on the spectral properties of colloidal InP/ZnS core-shell quantum dots.

PubMed

Narayanaswamy, Arun; Feiner, L F; Meijerink, A; van der Zaag, P J

2009-09-22

Visual color changes between 300 and 510 K were observed in the photoluminescence (PL) of colloidal InP/ZnS core-shell nanocrystals. A subsequent study of PL spectra in the range 2-510 K and fitting the temperature dependent line shift and line width to theoretical models show that the dominant (dephasing) interaction is due to scattering by acoustic phonons of about 23 meV. Low temperature photoluminescence excitation measurements show that the excitonic band gap depends approximately inversely linearly on the quantum dot size d, which is distinctly weaker than the dependence predicted by current theories.

Linear analysis of time dependent properties of Child-Langmuir flow

NASA Astrophysics Data System (ADS)

Rokhlenko, A.

2013-01-01

We continue our analysis of the time dependent behavior of the electron flow in the Child-Langmuir system, removing an approximation used earlier. We find a modified set of oscillatory decaying modes with frequencies of the same order as the inverse of the electron transient time. This range (typically MHz) allows simple experimental detection and maybe exploitation. We then study the time evolution of the current in response to a slow change of the anode voltage where the same modes of oscillations appear too. The cathode current in this case is systematically advanced or retarded depending on the direction of the voltage change.

General relationships between ultrasonic attenuation and dispersion

NASA Technical Reports Server (NTRS)

Odonnell, M.; Jaynes, E. T.; Miller, J. G.

1978-01-01

General relationships between the ultrasonic attenuation and dispersion are presented. The validity of these nonlocal relationships hinges only on the properties of causality and linearity, and does not depend upon details of the mechanism responsible for the attenuation and dispersion. Approximate, nearly local relationships are presented and are demonstrated to predict accurately the ultrasonic dispersion in solutions of hemoglobin from the results of attenuation measurements.

Wavelength Dependence of Solar Irradiance Enhancement During X-class Flares and Its Influence on the Upper Atmosphere

NASA Technical Reports Server (NTRS)

Huang, Yanshi; Richmond, A. D.

2013-01-01

The wavelength dependence of solar irradiance enhancement during flare events is one of the important factors in determining how the Thermosphere-Ionosphere (TI) system responds to flares. To investigate the wavelength dependence of flare enhancement, the Flare Irradiance Spectral Model (FISM) was run for 61X-class flares. The absolute and the percentage increases of solar irradiance at flare peaks, compared to pre-flare conditions, have clear wavelength dependences. The 0-4 nm irradiance increases much more ((is) approximately 680 on average) than that in the 14-25 nm waveband ((is) approximately 65 on average), except at 24 nm ( (is) approximately 220). The average percentage increases for the 25-105 nm and 122-190 nm wave bands are approximately 120 and approximately 35, respectively. The influence of 6 different wavebands (0-14 nm, 14-25 nm, 25-105 nm, 105-120 nm, 121.56 nm,and122-175 nm) on the thermosphere was examined for the October 28th, 2003 flare (X17-class) event by coupling FISM with the National Center for Atmospheric Research (NCAR) Thermosphere-Ionosphere-Electrodynamics General Circulation Model(TIE-GCM) under geomagnetically quiet conditions (Kp=1). While the enhancement in the0-14nm waveband caused the largest enhancement of the globally integrated solar heating, the impact of solar irradiance enhancement on the thermosphere at 400 km is largest for the 25-105 nm waveband (EUV), which accounts for about 33 K of the total 45 K temperature enhancement, and approximately 7.4% of the total approximately 11.5% neutral density enhancement. The effect of 122-175 nm flare radiation on the thermosphere is rather small. The study also illustrates that the high-altitude thermospheric response to the flare radiation at 0-175 nm is almost a linear combination of the responses to the individual wavebands. The upper thermospheric temperature and density enhancements peaked 3-5 h after the maximum flare radiation.

Signatures of nonlinearity in single cell noise-induced oscillations.

PubMed

Thomas, Philipp; Straube, Arthur V; Timmer, Jens; Fleck, Christian; Grima, Ramon

2013-10-21

A class of theoretical models seeks to explain rhythmic single cell data by postulating that they are generated by intrinsic noise in biochemical systems whose deterministic models exhibit only damped oscillations. The main features of such noise-induced oscillations are quantified by the power spectrum which measures the dependence of the oscillatory signal's power with frequency. In this paper we derive an approximate closed-form expression for the power spectrum of any monostable biochemical system close to a Hopf bifurcation, where noise-induced oscillations are most pronounced. Unlike the commonly used linear noise approximation which is valid in the macroscopic limit of large volumes, our theory is valid over a wide range of volumes and hence affords a more suitable description of single cell noise-induced oscillations. Our theory predicts that the spectra have three universal features: (i) a dominant peak at some frequency, (ii) a smaller peak at twice the frequency of the dominant peak and (iii) a peak at zero frequency. Of these, the linear noise approximation predicts only the first feature while the remaining two stem from the combination of intrinsic noise and nonlinearity in the law of mass action. The theoretical expressions are shown to accurately match the power spectra determined from stochastic simulations of mitotic and circadian oscillators. Furthermore it is shown how recently acquired single cell rhythmic fibroblast data displays all the features predicted by our theory and that the experimental spectrum is well described by our theory but not by the conventional linear noise approximation. © 2013 Elsevier Ltd. All rights reserved.

Nonlinear Extraction of Independent Components of Natural Images Using Radial Gaussianization

PubMed Central

Lyu, Siwei; Simoncelli, Eero P.

2011-01-01

We consider the problem of efficiently encoding a signal by transforming it to a new representation whose components are statistically independent. A widely studied linear solution, known as independent component analysis (ICA), exists for the case when the signal is generated as a linear transformation of independent nongaussian sources. Here, we examine a complementary case, in which the source is nongaussian and elliptically symmetric. In this case, no invertible linear transform suffices to decompose the signal into independent components, but we show that a simple nonlinear transformation, which we call radial gaussianization (RG), is able to remove all dependencies. We then examine this methodology in the context of natural image statistics. We first show that distributions of spatially proximal bandpass filter responses are better described as elliptical than as linearly transformed independent sources. Consistent with this, we demonstrate that the reduction in dependency achieved by applying RG to either nearby pairs or blocks of bandpass filter responses is significantly greater than that achieved by ICA. Finally, we show that the RG transformation may be closely approximated by divisive normalization, which has been used to model the nonlinear response properties of visual neurons. PMID:19191599

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

Koshelev, A. E.

Multiple-band electronic structure and proximity to antiferromagnetic (AF) instability are the key properties of iron-based superconductors. In this paper, we explore the influence of scattering by the AF spin fluctuations on transport of multiple-band metals above the magnetic transition. A salient feature of scattering on the AF fluctuations is that it is strongly enhanced at the Fermi surface locations where the nesting is perfect (“hot spots” or “hot lines”). We review derivation of the collision integral for the Boltzmann equation due to AF-fluctuations scattering. In the paramagnetic state, the enhanced scattering rate near the hot lines leads to anomalous behaviormore » of electronic transport in magnetic field. We explore this behavior by analytically solving the Boltzmann transport equation with approximate transition rates. This approach accounts for return scattering events and is more accurate than the relaxation-time approximation. The magnetic-field dependences are characterized by two very different field scales: the lower scale is set by the hot-spot width and the higher scale is set by the total scattering amplitude. A conventional magnetotransport behavior is limited to magnetic fields below the lower scale. In the wide range in-between these two scales, the longitudinal conductivity has linear dependence on the magnetic field and the Hall conductivity has quadratic dependence. The linear dependence of the diagonal component reflects growth of the Fermi-surface area affected by the hot spots proportional to the magnetic field. Finally, we discuss applicability of this theoretical framework for describing of anomalous magnetotransport properties in different iron pnictides and chalcogenides in the paramagnetic state.« less

Evaluation of diffusion coefficients by means of an approximate steady-state condition in sedimentation velocity distributions.

PubMed

Scott, David J; Harding, Stephen E; Winzor, Donald J

2015-12-01

This investigation examined the feasibility of manipulating the rotor speed in sedimentation velocity experiments to spontaneously generate an approximate steady-state condition where the extent of diffusional spreading is matched exactly by the boundary sharpening arising from negative s-c dependence. Simulated sedimentation velocity distributions based on the sedimentation characteristics for a purified mucin preparation were used to illustrate a simple procedure for determining the diffusion coefficient from such steady-state distributions in situations where the concentration dependence of the sedimentation coefficient, s = s(0)/(1 + Kc), was quantified in terms of the limiting sedimentation coefficient as c → 0 (s(0)) and the concentration coefficient (K). Those simulations established that spontaneous generation of the approximate steady state could well be a feature of sedimentation velocity distributions for many unstructured polymer systems because the requirement that Kcoω(2)s(0)/D be between 46 and 183 cm(-2) is not unduly restrictive. Although spontaneous generation of the approximate steady state is also a theoretical prediction for structured macromolecular solutes exhibiting linear concentration dependence of the sedimentation coefficient, s = s(0)(1 - kc), the required value of k is far too large for any practical advantage to be taken of this approach with globular proteins. Copyright © 2015 Elsevier Inc. All rights reserved.

Stresses and deformations in cross-ply composite tubes subjected to a uniform temperature change

NASA Technical Reports Server (NTRS)

Hyer, M. W.; Cooper, D. E.; Cohen, D.

1986-01-01

This study investigates the effects of a uniform temperature change on the stresses and deformations of composite tubes and determines the accuracy of an approximate solution based on the principle of complementary virtual work. Interest centers on tube response away from the ends and so a planar elasticity approach is used. For the approximate solution a piecewise linear variation of stresses with the radial coordinate is assumed. The results from the approximate solution are compared with the elasticity solution. The stress predictions agree well, particularly peak interlaminar stresses. Surprisingly, the axial deformations also agree well, despite the fact that the deformations predicted by the approximate solution do not satisfy the interface displacement continuity conditions required by the elasticity solution. The study shows that the axial thermal expansion coefficient of tubes with a specific number of axial and circumferential layers depends on the stacking sequence. This is in contrast to classical lamination theory, which predicts that the expansion will be independent of the stacking arrangement. As expected, the sign and magnitude of the peak interlaminar stresses depend on stacking sequence. For tubes with a specific number of axial and circumferential layers, thermally induced interlaminar stresses can be controlled by altering stacking arrangement.

Perturbations of linear delay differential equations at the verge of instability.

PubMed

Lingala, N; Namachchivaya, N Sri

2016-06-01

The characteristic equation for a linear delay differential equation (DDE) has countably infinite roots on the complex plane. This paper considers linear DDEs that are on the verge of instability, i.e., a pair of roots of the characteristic equation lies on the imaginary axis of the complex plane and all other roots have negative real parts. It is shown that when small noise perturbations are present, the probability distribution of the dynamics can be approximated by the probability distribution of a certain one-dimensional stochastic differential equation (SDE) without delay. This is advantageous because equations without delay are easier to simulate and one-dimensional SDEs are analytically tractable. When the perturbations are also linear, it is shown that the stability depends on a specific complex number. The theory is applied to study oscillators with delayed feedback. Some errors in other articles that use multiscale approach are pointed out.

Linearly exact parallel closures for slab geometry

NASA Astrophysics Data System (ADS)

Ji, Jeong-Young; Held, Eric D.; Jhang, Hogun

2013-08-01

Parallel closures are obtained by solving a linearized kinetic equation with a model collision operator using the Fourier transform method. The closures expressed in wave number space are exact for time-dependent linear problems to within the limits of the model collision operator. In the adiabatic, collisionless limit, an inverse Fourier transform is performed to obtain integral (nonlocal) parallel closures in real space; parallel heat flow and viscosity closures for density, temperature, and flow velocity equations replace Braginskii's parallel closure relations, and parallel flow velocity and heat flow closures for density and temperature equations replace Spitzer's parallel transport relations. It is verified that the closures reproduce the exact linear response function of Hammett and Perkins [Phys. Rev. Lett. 64, 3019 (1990)] for Landau damping given a temperature gradient. In contrast to their approximate closures where the vanishing viscosity coefficient numerically gives an exact response, our closures relate the heat flow and nonvanishing viscosity to temperature and flow velocity (gradients).

Effect of rheological approximations on slab detachment in 3D numerical simulations of continental collision

NASA Astrophysics Data System (ADS)

Pusok, Adina E.; Kaus, Boris; Popov, Anton

2017-04-01

It is commonly accepted that slab detachment results from the development of extensional stresses within the subducting slab. Subduction slowdown due to arrival of buoyant continental material at the trench is considered to cause such stress build up in the slab. Following slab detachment, slab pull partially or completely loses its strength and hot asthenosphere may flow through the slab window, which can have major consequences for continental collision. The dynamics of slab detachment has been extensively studied in 2D (i.e. analytical and numerical), but 3D models of slab detachment during continental collision remain largely unexplored. Some of the previous 3D models have investigated the role of an asymmetric margin on the propagation of slab detachment (van Hunen and Allen, 2011), the impact of slab detachment on the curvature of orogenic belts (Capitanio and Replumaz, 2013), the role of the collision rate on slab detachment depth (Li et al., 2013) or the effect of along-trench variations on slab detachment (Duretz et al., 2014). However, rheology of mantle and lithosphere is known to have a major influence on the dynamics of subduction. Here, we explore a range of different rheological approximations to understand their sensitivity on the possible scenarios. We employ the code LaMEM (Kaus et al., 2016) to perform 3D simulations of subduction/continental collision in an integrated lithospheric and upper-mantle scale model. The models exhibit a wide range of behaviours depending on the rheological law employed: from linear, to temperature-dependent visco-elasto-plastic rheology that takes into account both diffusion and dislocation creep. For example, we find that slab dynamics varies drastically between end member models: in viscous approximations, slab detachment is slow, dominated by viscous thinning, while for a non-linear visco-elasto-plastic rheology, slab detachment is relatively fast, dominated by plastic breaking and inducing strong mantle flow in the slab window. Moreover, in models of viscous approximation, slab break-off starts in the slab interior due tot the nature of slab necking, while in models of non-linear visco-elasto-plastic rheology, slab tear will first occur at the edges of the continental collision.

Wind modeling and lateral control for automatic landing

NASA Technical Reports Server (NTRS)

Holley, W. E.; Bryson, A. E., Jr.

1975-01-01

For the purposes of aircraft control system design and analysis, the wind can be characterized by a mean component which varies with height and by turbulent components which are described by the von Karman correlation model. The aircraft aero-dynamic forces and moments depend linearly on uniform and gradient gust components obtained by averaging over the aircraft's length and span. The correlations of the averaged components are then approximated by the outputs of linear shaping filters forced by white noise. The resulting model of the crosswind shear and turbulence effects is used in the design of a lateral control system for the automatic landing of a DC-8 aircraft.

Optimizing the ionization and energy absorption of laser-irradiated clusters

NASA Astrophysics Data System (ADS)

Kundu, M.; Bauer, D.

2008-03-01

It is known that rare-gas or metal clusters absorb incident laser energy very efficiently. However, due to the intricate dependencies on all the laser and cluster parameters, it is difficult to predict under which circumstances ionization and energy absorption are optimal. With the help of three-dimensional particle-in-cell simulations of xenon clusters (up to 17256 atoms), it is shown that for a given laser pulse energy and cluster, an optimum wavelength exists that corresponds to the approximate wavelength of the transient, linear Mie-resonance of the ionizing cluster at an early stage of negligible expansion. In a single ultrashort laser pulse, the linear resonance at this optimum wavelength yields much higher absorption efficiency than in the conventional, dual-pulse pump-probe setup of linear resonance during cluster expansion.

Reduction of the Mg acceptor activation energy in GaN, AlN, Al0.83Ga0.17N and MgGa δ-doping (AlN)5/(GaN)1: the strain effect

NASA Astrophysics Data System (ADS)

Jiang, Xin-He; Shi, Jun-Jie; Zhang, Min; Zhong, Hong-Xia; Huang, Pu; Ding, Yi-Min; He, Ying-Ping; Cao, Xiong

2015-12-01

To resolve the p-type doping problem of Al-rich AlGaN alloys, we investigate the influence of biaxial and hydrostatic strains on the activation energy, formation energy and band gap of Mg-doped GaN, AlN, Al0.83Ga0.17N disorder alloy and (AlN)5/(GaN)1 superlattice based on first-principles calculations by combining the standard DFT and hybrid functional. We find that the Mg acceptor activation energy {{E}\\text{A}} , the formation energy {{E}\\text{f}} and the band gap {{E}\\text{g}} decrease with increasing the strain ɛ. The hydrostatic strain has a more remarkable impact on {{E}\\text{g}} and {{E}\\text{A}} than the biaxial strain. Both {{E}\\text{A}} and {{E}\\text{g}} have a linear dependence on the hydrostatic strain. For the biaxial strain, {{E}\\text{g}} shows a parabolic dependence on ɛ if \\varepsilon ≤slant 0 while it becomes linear if \\varepsilon ≥slant 0 . In GaN and (AlN)5/(GaN)1, {{E}\\text{A}} parabolically depends on the biaxial compressive strain and linearly depends on the biaxial tensible strain. However, the dependence is approximately linear over the whole biaxial strain range in AlN and Al0.83Ga0.17N. The Mg acceptor activation energy in (AlN)5/(GaN)1 can be reduced from 0.26 eV without strain to 0.16 (0.22) eV with the hydrostatic (biaxial) tensible strain 3%.

A refinement of the combination equations for evaporation

USGS Publications Warehouse

Milly, P.C.D.

1991-01-01

Most combination equations for evaporation rely on a linear expansion of the saturation vapor-pressure curve around the air temperature. Because the temperature at the surface may differ from this temperature by several degrees, and because the saturation vapor-pressure curve is nonlinear, this approximation leads to a certain degree of error in those evaporation equations. It is possible, however, to introduce higher-order polynomial approximations for the saturation vapor-pressure curve and to derive a family of explicit equations for evaporation, having any desired degree of accuracy. Under the linear approximation, the new family of equations for evaporation reduces, in particular cases, to the combination equations of H. L. Penman (Natural evaporation from open water, bare soil and grass, Proc. R. Soc. London, Ser. A193, 120-145, 1948) and of subsequent workers. Comparison of the linear and quadratic approximations leads to a simple approximate expression for the error associated with the linear case. Equations based on the conventional linear approximation consistently underestimate evaporation, sometimes by a substantial amount. ?? 1991 Kluwer Academic Publishers.

Aeroservoelastic modeling and applications using minimum-state approximations of the unsteady aerodynamics

NASA Technical Reports Server (NTRS)

Tiffany, Sherwood H.; Karpel, Mordechay

1989-01-01

Various control analysis, design, and simulation techniques for aeroelastic applications require the equations of motion to be cast in a linear time-invariant state-space form. Unsteady aerodynamics forces have to be approximated as rational functions of the Laplace variable in order to put them in this framework. For the minimum-state method, the number of denominator roots in the rational approximation. Results are shown of applying various approximation enhancements (including optimization, frequency dependent weighting of the tabular data, and constraint selection) with the minimum-state formulation to the active flexible wing wind-tunnel model. The results demonstrate that good models can be developed which have an order of magnitude fewer augmenting aerodynamic equations more than traditional approaches. This reduction facilitates the design of lower order control systems, analysis of control system performance, and near real-time simulation of aeroservoelastic phenomena.

High-field pauli-limiting behavior and strongly enhanced upper critical magnetic fields near the transition temperature of an arsenic-deficient LaO0.9F0.1FeAs1-delta superconductor.

PubMed

Fuchs, G; Drechsler, S-L; Kozlova, N; Behr, G; Köhler, A; Werner, J; Nenkov, K; Klingeler, R; Hamann-Borrero, J; Hess, C; Kondrat, A; Grobosch, M; Narduzzo, A; Knupfer, M; Freudenberger, J; Büchner, B; Schultz, L

2008-12-05

We report upper critical field Bc2(T) data for disordered (arsenic-deficient) LaO0.9F0.1FeAs1-delta in a wide temperature and magnetic field range up to 47 T. Because of the large linear slope of Bc2 approximately -5.4 to -6.6 T/K near Tc approximately 28.5 K, the T dependence of the in-plane Bc2(T) shows a flattening near 23 K above 30 T which points to Pauli-limited behavior with Bc2(0) approximately 63-68 T. Our results are discussed in terms of disorder effects within [corrected] unconventional superconducting pairings.

Comparison of dynamical approximation schemes for non-linear gravitational clustering

NASA Technical Reports Server (NTRS)

Melott, Adrian L.

1994-01-01

We have recently conducted a controlled comparison of a number of approximations for gravitational clustering against the same n-body simulations. These include ordinary linear perturbation theory (Eulerian), the adhesion approximation, the frozen-flow approximation, the Zel'dovich approximation (describable as first-order Lagrangian perturbation theory), and its second-order generalization. In the last two cases we also created new versions of approximation by truncation, i.e., smoothing the initial conditions by various smoothing window shapes and varying their sizes. The primary tool for comparing simulations to approximation schemes was crosscorrelation of the evolved mass density fields, testing the extent to which mass was moved to the right place. The Zel'dovich approximation, with initial convolution with a Gaussian e(exp -k(exp 2)/k(exp 2, sub G)) where k(sub G) is adjusted to be just into the nonlinear regime of the evolved model (details in text) worked extremely well. Its second-order generalization worked slightly better. All other schemes, including those proposed as generalizations of the Zel'dovich approximation created by adding forces, were in fact generally worse by this measure. By explicitly checking, we verified that the success of our best-choice was a result of the best treatment of the phases of nonlinear Fourier components. Of all schemes tested, the adhesion approximation produced the most accurate nonlinear power spectrum and density distribution, but its phase errors suggest mass condensations were moved to slightly the wrong location. Due to its better reproduction of the mass density distribution function and power spectrum, it might be preferred for some uses. We recommend either n-body simulations or our modified versions of the Zel'dovich approximation, depending upon the purpose. The theoretical implication is that pancaking is implicit in all cosmological gravitational clustering, at least from Gaussian initial conditions, even when subcondensations are present.

A computational model for telomere-dependent cell-replicative aging.

PubMed

Portugal, R D; Land, M G P; Svaiter, B F

2008-01-01

Telomere shortening provides a molecular basis for the Hayflick limit. Recent data suggest that telomere shortening also influence mitotic rate. We propose a stochastic growth model of this phenomena, assuming that cell division in each time interval is a random process which probability decreases linearly with telomere shortening. Computer simulations of the proposed stochastic telomere-regulated model provides good approximation of the qualitative growth of cultured human mesenchymal stem cells.

Temperature and frequency dependence of ultrasonic attenuation in selected tissues

NASA Technical Reports Server (NTRS)

Gammell, P. M.; Croissette, D. H. L.; Heyser, R. C.

1979-01-01

Ultrasonic attenuation over the frequency range of 1.5-10 MHz has been measured as a function of temperature for porcine liver, backfat, kidney and spleen as well as for a single specimen of human liver. The attenuation in these excised specimens increases nearly linearly with frequency. Over the temperature range of approximately 4-37 C the attenuation decreases with increasing temperature for most soft tissue studied.

Peristalsis of nonconstant viscosity Jeffrey fluid with nanoparticles

NASA Astrophysics Data System (ADS)

Alvi, N.; Latif, T.; Hussain, Q.; Asghar, S.

Mixed convective peristaltic activity of variable viscosity nanofluids is addressed. Unlike the conventional consideration of constant viscosity; the viscosity is taken as temperature dependent. Constitutive relations for linear viscoelastic Jeffrey fluid are employed and uniform magnetic field is applied in the transverse direction. For nanofluids, the formulation is completed in presence of Brownian motion, thermophoresis, viscous dissipation and Joule heating. Consideration of temperature dependence of viscosity is not a choice but the realistic requirement of the wall temperature and the heat generated due to the viscous dissipation. Well established large wavelength and small Reynolds number approximations are invoked. Non-linear coupled system is analytically solved for the convergent series solutions identifying the interval of convergence explicitly. A comparative study between analytical and numerical solution is made for certainty. Influence of the parameters undertaken for the description of the problem is pointed out and its physics explained.

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.

Precision, accuracy and linearity of radiometer EML 105 whole blood metabolite biosensors.

PubMed

Cobbaert, C; Morales, C; van Fessem, M; Kemperman, H

1999-11-01

The analytical performance of a new, whole blood glucose and lactate electrode system (EML 105 analyser. Radiometer Medical A/S. Copenhagen, Denmark) was evaluated. Between-day coefficients of variation were < or = 1.9% and < or = 3.1% for glucose and lactate, respectively. Recoveries of glucose were 100 +/- 10% using either aqueous or protein-based standards. Recoveries of lactate depended on the matrix, being underestimated in aqueous standards (approximately -10%) and 95-100% in standards containing 40 g/L albumin at lactate concentrations of 15 and 30 mmol/L. However, recoveries were high (up to 180%) at low lactate concentrations in protein-based standards. Carry-over, investigated according to National Clinical Chemistry Laboratory Standards EP10-T2, was negligible (alpha = 0.01). Glucose and lactate biosensors equipped with new membranes were linear up to 60 and 30 mmol/L, respectively. However, linearity fell upon daily use with increasing membrane lifetime. We conclude that the Radiometer metabolite biosensor results are reproducible and do not suffer from specimen-related carry-over. However, lactate recovery depends on the protein content and the lactate concentration.

Linear and nonlinear trending and prediction for AVHRR time series data

NASA Technical Reports Server (NTRS)

Smid, J.; Volf, P.; Slama, M.; Palus, M.

1995-01-01

The variability of AVHRR calibration coefficient in time was analyzed using algorithms of linear and non-linear time series analysis. Specifically we have used the spline trend modeling, autoregressive process analysis, incremental neural network learning algorithm and redundancy functional testing. The analysis performed on available AVHRR data sets revealed that (1) the calibration data have nonlinear dependencies, (2) the calibration data depend strongly on the target temperature, (3) both calibration coefficients and the temperature time series can be modeled, in the first approximation, as autonomous dynamical systems, (4) the high frequency residuals of the analyzed data sets can be best modeled as an autoregressive process of the 10th degree. We have dealt with a nonlinear identification problem and the problem of noise filtering (data smoothing). The system identification and filtering are significant problems for AVHRR data sets. The algorithms outlined in this study can be used for the future EOS missions. Prediction and smoothing algorithms for time series of calibration data provide a functional characterization of the data. Those algorithms can be particularly useful when calibration data are incomplete or sparse.

Effect of high pressure on the electrical resistivity of optimally doped YBa2Cu3O7-δ single crystals with unidirectional planar defects

NASA Astrophysics Data System (ADS)

Vovk, R. V.; Vovk, N. R.; Khadzhai, G. Ya.; Goulatis, I. L.; Chroneos, A.

2013-08-01

In the present work the effect of hydrostatic pressure up to 10 kbar on in-plane electrical resistivity of well-structured YBa2Cu3O7-δ (δ<0.15, Тс≈91 K, ΔТс≈0.3 K) single crystals was investigated. The influence of the twin boundaries on the electrical resistivity was minimized. The resistivities temperature dependences in the interval Тс up to 300 K can be approximated by taking into account the linear term at high temperatures and the fluctuation conductivity (Maki-Thompson model) near Тс. The parameters of the linear dependence of R(T) are decreasing as the pressure is increasing. Тс increases linearly when the pressure increases with the derivative dTc/dP≈0.080 K/kbar. Among the Maki-Thompson model parameters the inter-layer distance, d, can be considered to be independent from pressure, the transverse coherence length, ξc(0)∼0.1d.

Antigenic structure of the herpes simplex virus type 1 glycoprotein C: demonstration of a linear epitope situated in an environment of highly conformation-dependent epitopes.

PubMed

Sjöblom, I; Glorioso, J C; Sjögren-Jansson, E; Olofsson, S

1992-03-01

A continuous epitope, situated within or in close proximity to antigenic site II of the herpes simplex virus type 1-specified glycoprotein C (gC-1), was identified. The continuous linear nature of the epitope, defined by a monoclonal antibody C2H12, was established by three independent lines of evidence: (i) The epitope was detectable by immunoblot under denaturing and reducing conditions. (ii) The epitope was detectable by RIPA of extracts from TM-treated HSV-infected cells, despite the malfolding caused by this treatment. (iii) The epitope was detected in an approximately 5,000-dalton papain fragment of gC-1. A mapping analysis, primarily based on use of mutant virus, expressing truncated gC-1 molecules, suggested that the mapping position of the epitope was delimited by amino acids 120 and 230. Other epitopes of this region of gC-1 are highly conformation-dependent, and the existence of a linear epitope, accessible on native gC-1, may facilitate the elucidation of the functional anatomy of gC-1.

Linear Transformation of the Polarization Modes in Coiled Optical Spun-Fibers with Strong Unperturbed Linear Birefringence. I. Nonresonant Transformation

NASA Astrophysics Data System (ADS)

Malykin, G. B.; Pozdnyakova, V. I.

2018-03-01

A linear transformation of orthogonal polarization modes in coiled optical spun-fibers with strong unperturbed linear birefringence, which causes the emergence of the dependences of the integrated elliptical birefringence and the ellipticity and azimuth of the major axis of the ellipse, as well as the polarization state of radiation (PSR), on the length of optical fiber has been considered. Optical spun-fibers are subjected to a strong mechanical twisting, which is frozen into the structure of the optical fiber upon cooling, in the process of being drawn out from the workpiece. Since the values of the local polarization parameters of coiled spunwaveguides vary according to a rather complex law, the calculations were carried out by numerical modeling of the parameters of the Jones matrices. Since the rotation speed of the axes of the birefringence is constant on a relatively short segment of a coiled optical spun-fiber in the accompanying torsion (helical) coordinate system, the so-called "Ginzburg helical polarization modes" (GHPMs)—two mutually orthogonal ellipses with the opposite directions of traversal, the axis of which rotate relative to the fixed coordinate system uniformly and unidirectionally—are approximately the local normal polarization modes of such optical fiber. It has been shown that, despite the fact that the unperturbed linear birefringence of the spun-fibers significantly exceeds the linear birefringence, which is caused by the winding on a coil, the integral birefringence of an extended segment of such a fiber coincides in order of magnitude with the linear birefringence, which is caused by the winding on the coil, and the integral polarization modes tend asymptotically to circular ones. It has been also shown that the values of the circular birefringence of twisted single-mode fibers, which were calculated in a nonrotating and torsion helical coordinate systems, differ significantly. It has been shown that the polarization phenomena occur in the process of linear transformation of local polarization modes, which lead to small quasi-harmonic oscillations of the birefringence integral parameters of the optical spun-fibers, which depend on their length, and the period of these oscillations is approximately equal to half of the effective period of polarization beating.

Solution of 3-dimensional time-dependent viscous flows. Part 2: Development of the computer code

NASA Technical Reports Server (NTRS)

Weinberg, B. C.; Mcdonald, H.

1980-01-01

There is considerable interest in developing a numerical scheme for solving the time dependent viscous compressible three dimensional flow equations to aid in the design of helicopter rotors. The development of a computer code to solve a three dimensional unsteady approximate form of the Navier-Stokes equations employing a linearized block emplicit technique in conjunction with a QR operator scheme is described. Results of calculations of several Cartesian test cases are presented. The computer code can be applied to more complex flow fields such as these encountered on rotating airfoils.

Vogel-Fulcher dependence of relaxation rates in a nematic monomer and elastomer

NASA Astrophysics Data System (ADS)

Shenoy, D.; Filippov, S.; Aliev, F.; Keller, P.; Thomsen, D.; Ratna, B.

2000-12-01

Dielectric relaxation spectroscopy is used to study the relaxation processes in a nematic monomer and the corresponding cross-linked polymer nematic liquid crystal (elastomer). In the frequency window 10 mHz to 2 GHz the monomer liquid crystal shows a single relaxation whereas the polymer exhibits three relaxation processes, two of which are quantitatively analyzed. The temperature dependence of relaxation times in both the monomer and polymer follows a Vogel-Fulcher behavior. The relaxation processes are identified with specific molecular motions and activation energies are calculated in a linear approximation for comparison with literature data.

Analytical approximations for spiral waves

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

Löber, Jakob, E-mail: jakob@physik.tu-berlin.de; Engel, Harald

2013-12-15

We propose a non-perturbative attempt to solve the kinematic equations for spiral waves in excitable media. From the eikonal equation for the wave front we derive an implicit analytical relation between rotation frequency Ω and core radius R{sub 0}. For free, rigidly rotating spiral waves our analytical prediction is in good agreement with numerical solutions of the linear eikonal equation not only for very large but also for intermediate and small values of the core radius. An equivalent Ω(R{sub +}) dependence improves the result by Keener and Tyson for spiral waves pinned to a circular defect of radius R{sub +}more » with Neumann boundaries at the periphery. Simultaneously, analytical approximations for the shape of free and pinned spirals are given. We discuss the reasons why the ansatz fails to correctly describe the dependence of the rotation frequency on the excitability of the medium.« less

Multigrid methods for isogeometric discretization

PubMed Central

Gahalaut, K.P.S.; Kraus, J.K.; Tomar, S.K.

2013-01-01

We present (geometric) multigrid methods for isogeometric discretization of scalar second order elliptic problems. The smoothing property of the relaxation method, and the approximation property of the intergrid transfer operators are analyzed. These properties, when used in the framework of classical multigrid theory, imply uniform convergence of two-grid and multigrid methods. Supporting numerical results are provided for the smoothing property, the approximation property, convergence factor and iterations count for V-, W- and F-cycles, and the linear dependence of V-cycle convergence on the smoothing steps. For two dimensions, numerical results include the problems with variable coefficients, simple multi-patch geometry, a quarter annulus, and the dependence of convergence behavior on refinement levels ℓ, whereas for three dimensions, only the constant coefficient problem in a unit cube is considered. The numerical results are complete up to polynomial order p=4, and for C0 and Cp-1 smoothness. PMID:24511168

Gompertz type dechanneling functions for protons in <1 0 0>, <1 1 0> and <1 1 1> Si crystal channels

NASA Astrophysics Data System (ADS)

Petrović, S.; Erić, M.; Kokkoris, M.; Nešković, N.

2007-03-01

In this work the energy dependences of the Gompertz type sigmoidal dechanneling function parameters for protons in <1 0 0>, <1 1 0> and <1 1 1> Si crystal channels is investigated theoretically. The proton energy range considered is between 1 and 10 MeV. The original dechanneling functions are generated using a realistic Monte Carlo computer simulation code. We show that the Gompertz type dechanneling function, having two parameters, lc and k, representing the dechanneling range and rate, respectively, approximate accurately the original dechanneling function. It is also shown that the energy dependences of parameters lc and k can be approximated by a linear function and a sum of two exponential functions, respectively. The results obtained can be used for accurate reproduction of experimental proton channeling spectra recorded in the backscattering geometry.

Chapman Enskog-maximum entropy method on time-dependent neutron transport equation

NASA Astrophysics Data System (ADS)

Abdou, M. A.

2006-09-01

The time-dependent neutron transport equation in semi and infinite medium with linear anisotropic and Rayleigh scattering is proposed. The problem is solved by means of the flux-limited, Chapman Enskog-maximum entropy for obtaining the solution of the time-dependent neutron transport. The solution gives the neutron distribution density function which is used to compute numerically the radiant energy density E(x,t), net flux F(x,t) and reflectivity Rf. The behaviour of the approximate flux-limited maximum entropy neutron density function are compared with those found by other theories. Numerical calculations for the radiant energy, net flux and reflectivity of the proposed medium are calculated at different time and space.

Analysis of the static magnetic field-dependent optical transmission of Ni nanorod colloidal suspensions

NASA Astrophysics Data System (ADS)

Krämer, Florian; Gratz, Micha; Tschöpe, Andreas

2016-07-01

The magnetic field-dependent optical transmission of dilute Ni nanorod aqueous suspensions was investigated. A series of four samples of nanorods were synthesized using the AAO template method and processed to stable colloids. The distributions of their length and diameter were characterized by analysis of TEM images and revealed average diameters of ˜25 nm and different lengths in the range of 60 nm-1100 nm. The collinear magnetic and optical anisotropy was studied by static field-dependent transmission measurements of linearly polarized light parallel and perpendicular to the magnetic field direction. The experimental results were modelled assuming the field-dependent orientation distribution function of a superparamagnetic ensemble for the uniaxial ferromagnetic nanorods in liquid dispersion and extinction cross sections for longitudinal and transversal optical polarization derived from different approaches, including the electrostatic approximation and the separation of variables method, both applied to spheroidal particles, as well as finite element method simulations of spheroids and capped cylindrical particles. The extinction cross sections were compared to reveal the differences associated with the approximations of homogeneous polarization and/or particle shape. The consequences of these approximations for the quantitative analysis of magnetic field-dependent optical transmission measurements were investigated and a reliable protocol derived. Furthermore, the changes in optical cross sections induced by electromagnetic interaction between two nanorods in parallel end-to-end and side-by-side configuration as a function of their separation were studied.

A Galerkin method for linear PDE systems in circular geometries with structural acoustic applications

NASA Technical Reports Server (NTRS)

Smith, Ralph C.

1994-01-01

A Galerkin method for systems of PDE's in circular geometries is presented with motivating problems being drawn from structural, acoustic, and structural acoustic applications. Depending upon the application under consideration, piecewise splines or Legendre polynomials are used when approximating the system dynamics with modifications included to incorporate the analytic solution decay near the coordinate singularity. This provides an efficient method which retains its accuracy throughout the circular domain without degradation at singularity. Because the problems under consideration are linear or weakly nonlinear with constant or piecewise constant coefficients, transform methods for the problems are not investigated. While the specific method is developed for the two dimensional wave equations on a circular domain and the equation of transverse motion for a thin circular plate, examples demonstrating the extension of the techniques to a fully coupled structural acoustic system are used to illustrate the flexibility of the method when approximating the dynamics of more complex systems.

Evolution of microstructure and elastic wave velocities in dehydrated gypsum samples

NASA Astrophysics Data System (ADS)

Milsch, Harald; Priegnitz, Mike

2012-12-01

We report on changes in P and S-wave velocities and rock microstructure induced by devolatilization reactions using gypsum as a reference analog material. Cylindrical samples of natural alabaster were dehydrated in air, at ambient pressure, and temperatures between 378 and 423 K. Dehydration did not proceed homogeneously but via a reaction front moving sample inwards separating an outer highly porous rim from the remaining gypsum which, above approximately 393 (±5) K, concurrently decomposed into hemihydrate. Overall porosity was observed to continuously increase with reaction progress from approximately 2% for fully hydrated samples to 30% for completely dehydrated ones. Concurrently, P and S-wave velocities linearly decreased with porosity from 5.2 and 2.7 km/s to 1.0 and 0.7 km/s, respectively. It is concluded that a linearized empirical Raymer-type model extended by a critical porosity term and based on the respective time dependent mineral and pore volumes reasonably replicates the P and S-wave data in relation to reaction progress and porosity.

Predicting major element mineral/melt equilibria - A statistical approach

NASA Technical Reports Server (NTRS)

Hostetler, C. J.; Drake, M. J.

1980-01-01

Empirical equations have been developed for calculating the mole fractions of NaO0.5, MgO, AlO1.5, SiO2, KO0.5, CaO, TiO2, and FeO in a solid phase of initially unknown identity given only the composition of the coexisting silicate melt. The approach involves a linear multivariate regression analysis in which solid composition is expressed as a Taylor series expansion of the liquid compositions. An internally consistent precision of approximately 0.94 is obtained, that is, the nature of the liquidus phase in the input data set can be correctly predicted for approximately 94% of the entries. The composition of the liquidus phase may be calculated to better than 5 mol % absolute. An important feature of this 'generalized solid' model is its reversibility; that is, the dependent and independent variables in the linear multivariate regression may be inverted to permit prediction of the composition of a silicate liquid produced by equilibrium partial melting of a polymineralic source assemblage.

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.

Characterization of Perovskite Oxide/Semiconductor Heterostructures

NASA Astrophysics Data System (ADS)

Walker, Phillip

The tools developed for the use of investigating dynamical systems have provided critical understanding to a wide range of physical phenomena. Here these tools are used to gain further insight into scalar transport, and how it is affected by mixing. The aim of this research is to investigate the efficiency of several different partitioning methods which demarcate flow fields into dynamically distinct regions, and the correlation of finite-time statistics from the advection-diffusion equation to these regions. For autonomous systems, invariant manifold theory can be used to separate the system into dynamically distinct regions. Despite there being no equivalent method for nonautonomous systems, a similar analysis can be done. Systems with general time dependencies must resort to using finite-time transport barriers for partitioning; these barriers are the edges of Lagrangian coherent structures (LCS), the analog to the stable and unstable manifolds of invariant manifold theory. Using the coherent structures of a flow to analyze the statistics of trapping, flight, and residence times, the signature of anomalous diffusion are obtained. This research also investigates the use of linear models for approximating the elements of the covariance matrix of nonlinear flows, and then applying the covariance matrix approximation over coherent regions. The first and second-order moments can be used to fully describe an ensemble evolution in linear systems, however there is no direct method for nonlinear systems. The problem is only compounded by the fact that the moments for nonlinear flows typically don't have analytic representations, therefore direct numerical simulations would be needed to obtain the moments throughout the domain. To circumvent these many computations, the nonlinear system is approximated as many linear systems for which analytic expressions for the moments exist. The parameters introduced in the linear models are obtained locally from the nonlinear deformation tensor.

A limit on the variation of the speed of light arising from quantum gravity effects.

PubMed

Abdo, A A; Ackermann, M; Ajello, M; Asano, K; Atwood, W B; Axelsson, M; Baldini, L; Ballet, J; Barbiellini, G; Baring, M G; Bastieri, D; Bechtol, K; Bellazzini, R; Berenji, B; Bhat, P N; Bissaldi, E; Bloom, E D; Bonamente, E; Bonnell, J; Borgland, A W; Bouvier, A; Bregeon, J; Brez, A; Briggs, M S; Brigida, M; Bruel, P; Burgess, J M; Burnett, T H; Caliandro, G A; Cameron, R A; Caraveo, P A; Casandjian, J M; Cecchi, C; Celik, O; Chaplin, V; Charles, E; Cheung, C C; Chiang, J; Ciprini, S; Claus, R; Cohen-Tanugi, J; Cominsky, L R; Connaughton, V; Conrad, J; Cutini, S; Dermer, C D; de Angelis, A; de Palma, F; Digel, S W; Dingus, B L; do Couto E Silva, E; Drell, P S; Dubois, R; Dumora, D; Farnier, C; Favuzzi, C; Fegan, S J; Finke, J; Fishman, G; Focke, W B; Foschini, L; Fukazawa, Y; Funk, S; Fusco, P; Gargano, F; Gasparrini, D; Gehrels, N; Germani, S; Gibby, L; Giebels, B; Giglietto, N; Giordano, F; Glanzman, T; Godfrey, G; Granot, J; Greiner, J; Grenier, I A; Grondin, M-H; Grove, J E; Grupe, D; Guillemot, L; Guiriec, S; Hanabata, Y; Harding, A K; Hayashida, M; Hays, E; Hoversten, E A; Hughes, R E; Jóhannesson, G; Johnson, A S; Johnson, R P; Johnson, W N; Kamae, T; Katagiri, H; Kataoka, J; Kawai, N; Kerr, M; Kippen, R M; Knödlseder, J; Kocevski, D; Kouveliotou, C; Kuehn, F; Kuss, M; Lande, J; Latronico, L; Lemoine-Goumard, M; Longo, F; Loparco, F; Lott, B; Lovellette, M N; Lubrano, P; Madejski, G M; Makeev, A; Mazziotta, M N; McBreen, S; McEnery, J E; McGlynn, S; Mészáros, P; Meurer, C; Michelson, P F; Mitthumsiri, W; Mizuno, T; Moiseev, A A; Monte, C; Monzani, M E; Moretti, E; Morselli, A; Moskalenko, I V; Murgia, S; Nakamori, T; Nolan, P L; Norris, J P; Nuss, E; Ohno, M; Ohsugi, T; Omodei, N; Orlando, E; Ormes, J F; Ozaki, M; Paciesas, W S; Paneque, D; Panetta, J H; Parent, D; Pelassa, V; Pepe, M; Pesce-Rollins, M; Petrosian, V; Piron, F; Porter, T A; Preece, R; Rainò, S; Ramirez-Ruiz, E; Rando, R; Razzano, M; Razzaque, S; Reimer, A; Reimer, O; Reposeur, T; Ritz, S; Rochester, L S; Rodriguez, A Y; Roth, M; Ryde, F; Sadrozinski, H F-W; Sanchez, D; Sander, A; Saz Parkinson, P M; Scargle, J D; Schalk, T L; Sgrò, C; Siskind, E J; Smith, D A; Smith, P D; Spandre, G; Spinelli, P; Stamatikos, M; Stecker, F W; Strickman, M S; Suson, D J; Tajima, H; Takahashi, H; Takahashi, T; Tanaka, T; Thayer, J B; Thayer, J G; Thompson, D J; Tibaldo, L; Toma, K; Torres, D F; Tosti, G; Troja, E; Uchiyama, Y; Uehara, T; Usher, T L; van der Horst, A J; Vasileiou, V; Vilchez, N; Vitale, V; von Kienlin, A; Waite, A P; Wang, P; Wilson-Hodge, C; Winer, B L; Wood, K S; Wu, X F; Yamazaki, R; Ylinen, T; Ziegler, M

2009-11-19

A cornerstone of Einstein's special relativity is Lorentz invariance-the postulate that all observers measure exactly the same speed of light in vacuum, independent of photon-energy. While special relativity assumes that there is no fundamental length-scale associated with such invariance, there is a fundamental scale (the Planck scale, l(Planck) approximately 1.62 x 10(-33) cm or E(Planck) = M(Planck)c(2) approximately 1.22 x 10(19) GeV), at which quantum effects are expected to strongly affect the nature of space-time. There is great interest in the (not yet validated) idea that Lorentz invariance might break near the Planck scale. A key test of such violation of Lorentz invariance is a possible variation of photon speed with energy. Even a tiny variation in photon speed, when accumulated over cosmological light-travel times, may be revealed by observing sharp features in gamma-ray burst (GRB) light-curves. Here we report the detection of emission up to approximately 31 GeV from the distant and short GRB 090510. We find no evidence for the violation of Lorentz invariance, and place a lower limit of 1.2E(Planck) on the scale of a linear energy dependence (or an inverse wavelength dependence), subject to reasonable assumptions about the emission (equivalently we have an upper limit of l(Planck)/1.2 on the length scale of the effect). Our results disfavour quantum-gravity theories in which the quantum nature of space-time on a very small scale linearly alters the speed of light.

Numerical simulations of piecewise deterministic Markov processes with an application to the stochastic Hodgkin-Huxley model.

PubMed

Ding, Shaojie; Qian, Min; Qian, Hong; Zhang, Xuejuan

2016-12-28

The stochastic Hodgkin-Huxley model is one of the best-known examples of piecewise deterministic Markov processes (PDMPs), in which the electrical potential across a cell membrane, V(t), is coupled with a mesoscopic Markov jump process representing the stochastic opening and closing of ion channels embedded in the membrane. The rates of the channel kinetics, in turn, are voltage-dependent. Due to this interdependence, an accurate and efficient sampling of the time evolution of the hybrid stochastic systems has been challenging. The current exact simulation methods require solving a voltage-dependent hitting time problem for multiple path-dependent intensity functions with random thresholds. This paper proposes a simulation algorithm that approximates an alternative representation of the exact solution by fitting the log-survival function of the inter-jump dwell time, H(t), with a piecewise linear one. The latter uses interpolation points that are chosen according to the time evolution of the H(t), as the numerical solution to the coupled ordinary differential equations of V(t) and H(t). This computational method can be applied to all PDMPs. Pathwise convergence of the approximated sample trajectories to the exact solution is proven, and error estimates are provided. Comparison with a previous algorithm that is based on piecewise constant approximation is also presented.

A Geomorphologic Synthesis of Nonlinearity in Surface Runoff

NASA Astrophysics Data System (ADS)

Wang, C. T.; Gupta, Vijay K.; Waymire, Ed

1981-06-01

The geomorphic approach leading to a representation of an instantaneous unit hydrograph (iuh) which we developed earlier is generalized to incorporate nonlinear effects in the rainfall-runoff transformation. It is demonstrated that the nonlinearity in the transformation enters in part through the dependence of the mean holding time on the rainfall intensity. Under an assumed first approximation that this dependence is the sole source of nonlinearity an explicit quasi-linear representation results for the rainfall- runoff transformation. The kernel function of this transformation can be termed as the instantaneous response function (irf) in contradistinction to the notion of an iuh for the case of a linear rainfall-runoff transformation. The predictions from the quasi-linear theory agree very well with predictions from the kinematic wave approach for the one small basin that is analyzed. Also, for two large basins in Illinois having areas of about 1100 mi2 the predictions from the quasi-linear approach compare very well with the observed flows. A measure of nonlinearity, α naturally arises through the dependence of the mean holding time KB(i0) on the rainfall intensity i0via KB (i0) ˜ i0 -α. Computations of α for four basins show that α approaches ⅔ as basin size decreases and approaches zero as the basin size increases. A semilog plot of α versus the square root of the basin area gives a straight line. Confirmation of this relationship for other basins would be of basic importance in predicting flows from ungaged basins.

Comparative evaluation of Kodak EDR2 and XV2 films for verification of intensity modulated radiation therapy.

PubMed

Dogan, Nesrin; Leybovich, Leonid B; Sethi, Anil

2002-11-21

Film dosimetry provides a convenient tool to determine dose distributions, especially for verification of IMRT plans. However, the film response to radiation shows a significant dependence on depth, energy and field size that compromise the accuracy of measurements. Kodak's XV2 film has a low saturation dose (approximately 100 cGy) and, consequently, a relatively short region of linear dose-response. The recently introduced Kodak extended range EDR2 film was reported to have a linear dose-response region extending to 500 cGy. This increased dose range may be particularly useful in the verification of IMRT plans. In this work, the dependence of Kodak EDR2 film's response on the depth, field size and energy was evaluated and compared with Kodak XV2 film. Co-60, 6 MV, 10 MV and 18 MV beams were used. Field sizes were 2 x 2, 6 x 6, 10 x 10, 14 x 14, 18 x 18 and 24 x 24 cm2. Doses for XV2 and EDR2 films were 80 cGy and 300 cGy, respectively. Optical density was converted to dose using depth-corrected sensitometric (Hurter and Driffield, or H&D) curves. For each field size, XV2 and EDR2 depth-dose curves were compared with ion chamber depth-dose curves. Both films demonstrated similar (within 1%) field size dependence. The deviation from the ion chamber for both films was small forthe fields ranging from 2 x 2 to 10 x 10 cm2: < or =2% for 6, 10 and 18 MV beams. No deviation was observed for the Co-60 beam. As the field size increased to 24 x 24 cm2, the deviation became significant for both films: approximately 7.5% for Co-60, approximately 5% for 6 MV and 10 MV, and approximately 6% for 18 MV. During the verification of IMRT plans, EDR2 film showed a better agreement with the calculated dose distributions than the XV2 film.

Adaptive control using neural networks and approximate models.

PubMed

Narendra, K S; Mukhopadhyay, S

1997-01-01

The NARMA model is an exact representation of the input-output behavior of finite-dimensional nonlinear discrete-time dynamical systems in a neighborhood of the equilibrium state. However, it is not convenient for purposes of adaptive control using neural networks due to its nonlinear dependence on the control input. Hence, quite often, approximate methods are used for realizing the neural controllers to overcome computational complexity. In this paper, we introduce two classes of models which are approximations to the NARMA model, and which are linear in the control input. The latter fact substantially simplifies both the theoretical analysis as well as the practical implementation of the controller. Extensive simulation studies have shown that the neural controllers designed using the proposed approximate models perform very well, and in many cases even better than an approximate controller designed using the exact NARMA model. In view of their mathematical tractability as well as their success in simulation studies, a case is made in this paper that such approximate input-output models warrant a detailed study in their own right.

Magnetotransport of multiple-band nearly antiferromagnetic metals due to hot-spot scattering

DOE PAGES

Koshelev, A. E.

2016-09-30

Multiple-band electronic structure and proximity to antiferromagnetic (AF) instability are the key properties of iron-based superconductors. In this paper, we explore the influence of scattering by the AF spin fluctuations on transport of multiple-band metals above the magnetic transition. A salient feature of scattering on the AF fluctuations is that it is strongly enhanced at the Fermi surface locations where the nesting is perfect (“hot spots” or “hot lines”). We review derivation of the collision integral for the Boltzmann equation due to AF-fluctuations scattering. In the paramagnetic state, the enhanced scattering rate near the hot lines leads to anomalous behaviormore » of electronic transport in magnetic field. We explore this behavior by analytically solving the Boltzmann transport equation with approximate transition rates. This approach accounts for return scattering events and is more accurate than the relaxation-time approximation. The magnetic-field dependences are characterized by two very different field scales: the lower scale is set by the hot-spot width and the higher scale is set by the total scattering amplitude. A conventional magnetotransport behavior is limited to magnetic fields below the lower scale. In the wide range in-between these two scales, the longitudinal conductivity has linear dependence on the magnetic field and the Hall conductivity has quadratic dependence. The linear dependence of the diagonal component reflects growth of the Fermi-surface area affected by the hot spots proportional to the magnetic field. Finally, we discuss applicability of this theoretical framework for describing of anomalous magnetotransport properties in different iron pnictides and chalcogenides in the paramagnetic state.« less

Factors influencing the specific interaction of Neisseria gonorrhoeae with transforming DNA.

PubMed Central

Goodman, S D; Scocca, J J

1991-01-01

The specific interaction of transformable Neisseria gonorrhoeae with DNA depends on the recognition of specific 10-residue target sequences. The relative affinity for DNA between 3 and 17 kb in size appears to be linearly related to the frequency of targets on the segment and is unaffected by absolute size. The average frequency of targets in chromosomal DNA of N. gonorrhoeae appears to be approximately one per 1,000 bp. PMID:1909325

Term Cancellations in Computing Floating-Point Gröbner Bases

NASA Astrophysics Data System (ADS)

Sasaki, Tateaki; Kako, Fujio

We discuss the term cancellation which makes the floating-point Gröbner basis computation unstable, and show that error accumulation is never negligible in our previous method. Then, we present a new method, which removes accumulated errors as far as possible by reducing matrices constructed from coefficient vectors by the Gaussian elimination. The method manifests amounts of term cancellations caused by the existence of approximate linearly dependent relations among input polynomials.

Solution of linear systems by a singular perturbation technique

NASA Technical Reports Server (NTRS)

Ardema, M. D.

1976-01-01

An approximate solution is obtained for a singularly perturbed system of initial valued, time invariant, linear differential equations with multiple boundary layers. Conditions are stated under which the approximate solution converges uniformly to the exact solution as the perturbation parameter tends to zero. The solution is obtained by the method of matched asymptotic expansions. Use of the results for obtaining approximate solutions of general linear systems is discussed. An example is considered to illustrate the method and it is shown that the formulas derived give a readily computed uniform approximation.

A Novel Approach to Solve Linearized Stellar Pulsation Equations

NASA Astrophysics Data System (ADS)

Bard, Christopher; Teitler, S.

2011-01-01

We present a new approach to modeling linearized, non-radial pulsations in differentially rotating, massive stars. As a first step in this direction, we consider adiabatic pulsations and adopt the Cowling approximation that perturbations of the gravitational potential and its radial derivative are negligible. The angular dependence of the pulsation modes is expressed as a series expansion of associated Legendre polynomials; the resulting coupled system of differential equations is then solved by finding the eigenfrequencies at which the determinant of a characteristic matrix vanishes. Our method improves on previous treatments by removing the requirement that an arbitrary normalization be applied to the eigenfunctions; this brings the benefit of improved numerical robustness.

The thermal expansion of hard magnetic materials of the Nd-Fe-B system

NASA Astrophysics Data System (ADS)

Savchenko, Igor; Kozlovskii, Yurii; Samoshkin, Dmitriy; Yatsuk, Oleg

2017-10-01

The results of dilatometric measurement of the thermal expansion of hard magnetic materials brands N35M, N35H and N35SH containing as a main component the crystalline phase of Nd2Fe14B type are presented. The temperature range from 200 to 750 K has been investigated by the method of dilatometry with an error of 1.5-2×10-7 K-1. The approximation dependences of the linear thermal expansion coefficient have been obtained. The character of changes of the thermal coefficient of linear expansion in the region of the Curie point has been specified, its critical indices and critical amplitudes have been defined.

Quasi-linear regime of gravitational instability: Implication to density-velocity relation

NASA Technical Reports Server (NTRS)

Shandarin, Sergei F.

1993-01-01

The well known linear relation between density and peculiar velocity distributions is a powerful tool for studying the large-scale structure in the Universe. Potentially it can test the gravitational instability theory and measure Omega. At present it is used in both ways: the velocity is reconstructed, provided the density is given, and vice versa. Reconstructing the density from the velocity field usually makes use of the Zel'dovich approximation. However, the standard linear approximation in Eulerian space is used when the velocity is reconstructed from the density distribution. I show that the linearized Zel'dovich approximation, in other words the linear approximation in the Lagrangian space, is more accurate for reconstructing velocity. In principle, a simple iteration technique can recover both the density and velocity distributions in Lagrangian space, but its practical application may need an additional study.

An approximate generalized linear model with random effects for informative missing data.

PubMed

Follmann, D; Wu, M

1995-03-01

This paper develops a class of models to deal with missing data from longitudinal studies. We assume that separate models for the primary response and missingness (e.g., number of missed visits) are linked by a common random parameter. Such models have been developed in the econometrics (Heckman, 1979, Econometrica 47, 153-161) and biostatistics (Wu and Carroll, 1988, Biometrics 44, 175-188) literature for a Gaussian primary response. We allow the primary response, conditional on the random parameter, to follow a generalized linear model and approximate the generalized linear model by conditioning on the data that describes missingness. The resultant approximation is a mixed generalized linear model with possibly heterogeneous random effects. An example is given to illustrate the approximate approach, and simulations are performed to critique the adequacy of the approximation for repeated binary data.

Linear Approximation SAR Azimuth Processing Study

NASA Technical Reports Server (NTRS)

Lindquist, R. B.; Masnaghetti, R. K.; Belland, E.; Hance, H. V.; Weis, W. G.

1979-01-01

A segmented linear approximation of the quadratic phase function that is used to focus the synthetic antenna of a SAR was studied. Ideal focusing, using a quadratic varying phase focusing function during the time radar target histories are gathered, requires a large number of complex multiplications. These can be largely eliminated by using linear approximation techniques. The result is a reduced processor size and chip count relative to ideally focussed processing and a correspondingly increased feasibility for spaceworthy implementation. A preliminary design and sizing for a spaceworthy linear approximation SAR azimuth processor meeting requirements similar to those of the SEASAT-A SAR was developed. The study resulted in a design with approximately 1500 IC's, 1.2 cubic feet of volume, and 350 watts of power for a single look, 4000 range cell azimuth processor with 25 meters resolution.

Crystal structure and phase stability in Fe{sub 1{minus}x}Co{sub x} from AB initio theory

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

Soederlind, P.; Abrikosov, I.A.; James, P.

1996-06-01

For alloys between Fe and Co, their magnetic properties determine their structure. From the occupation of d states, a phase diagram is expected which depend largely on the spin polarization. A method more elaborate than canonical band models is used to calculate the spin moment and crystal structure energies. This method was the multisublattice generalization of the coherent potential approximation in conjunction with the Linear-Muffin-Tin-Orbital method in the atomic sphere approximation. To treat itinerant magnetism, the Vosko-Wilk-Nusair parameterization was used for the local spin density approximation. The fcc, bcc, and hcp phases were studied as completely random alloys, while themore » {alpha}{prime} phase for off-stoichiometries were considered as partially ordered. Results are compared with experiment and canonical band model.« less

Angle-dependent spin-wave resonance spectroscopy of (Ga,Mn)As films

NASA Astrophysics Data System (ADS)

Dreher, L.; Bihler, C.; Peiner, E.; Waag, A.; Schoch, W.; Limmer, W.; Goennenwein, S. T. B.; Brandt, M. S.

2013-06-01

A modeling approach for standing spin-wave resonances based on a finite-difference formulation of the Landau-Lifshitz-Gilbert equation is presented. In contrast to a previous study [C. Bihler , Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.79.045205 79, 045205 (2009)], this formalism accounts for elliptical magnetization precession and magnetic properties arbitrarily varying across the layer thickness, including the magnetic anisotropy parameters, the exchange stiffness, the Gilbert damping, and the saturation magnetization. To demonstrate the usefulness of our modeling approach, we experimentally study a set of (Ga,Mn)As samples grown by low-temperature molecular-beam epitaxy by means of angle-dependent standing spin-wave resonance spectroscopy and electrochemical capacitance-voltage measurements. By applying our modeling approach, the angle dependence of the spin-wave resonance data can be reproduced in a simulation with one set of simulation parameters for all external field orientations. We find that the approximately linear gradient in the out-of-plane magnetic anisotropy is related to a linear gradient in the hole concentrations of the samples.

Stability analysis of implicit time discretizations for the Compton-scattering Fokker-Planck equation

NASA Astrophysics Data System (ADS)

Densmore, Jeffery D.; Warsa, James S.; Lowrie, Robert B.; Morel, Jim E.

2009-09-01

The Fokker-Planck equation is a widely used approximation for modeling the Compton scattering of photons in high energy density applications. In this paper, we perform a stability analysis of three implicit time discretizations for the Compton-Scattering Fokker-Planck equation. Specifically, we examine (i) a Semi-Implicit (SI) scheme that employs backward-Euler differencing but evaluates temperature-dependent coefficients at their beginning-of-time-step values, (ii) a Fully Implicit (FI) discretization that instead evaluates temperature-dependent coefficients at their end-of-time-step values, and (iii) a Linearized Implicit (LI) scheme, which is developed by linearizing the temperature dependence of the FI discretization within each time step. Our stability analysis shows that the FI and LI schemes are unconditionally stable and cannot generate oscillatory solutions regardless of time-step size, whereas the SI discretization can suffer from instabilities and nonphysical oscillations for sufficiently large time steps. With the results of this analysis, we present time-step limits for the SI scheme that prevent undesirable behavior. We test the validity of our stability analysis and time-step limits with a set of numerical examples.

Correlations of neutron multiplicity and γ -ray multiplicity with fragment mass and total kinetic energy in spontaneous fission of Cf 252

DOE PAGES

Wang, Taofeng; Li, Guangwu; Zhu, Liping; ...

2016-01-08

The dependence of correlations of neutron multiplicity ν and γ-ray multiplicity M γ in spontaneous fission of 252Cf on fragment mass A* and total kinetic energy (TKE) have been investigated by employing the ratio of M γ/ν and the form of M γ(ν). We show for the first time that M γ and ν have a complex correlation for heavy fragment masses, while there is a positive dependence of Mγ for light fragment masses and for near-symmetric mass splits. The ratio M γ/ν exhibits strong shell effects for neutron magic number N=50 and near doubly magic number shell closure atmore » Z=50 and N=82. The γ-ray multiplicity Mγ has a maximum for TKE=165-170 MeV. Above 170 MeV M γ(TKE) is approximately linear, while it deviates significantly from a linear dependence at lower TKE. The correlation between the average neutron and γ-ray multiplicities can be partly reproduced by model calculations.« less

Quantitative verification of ab initio self-consistent laser theory.

PubMed

Ge, Li; Tandy, Robert J; Stone, A D; Türeci, Hakan E

2008-10-13

We generalize and test the recent "ab initio" self-consistent (AISC) time-independent semiclassical laser theory. This self-consistent formalism generates all the stationary lasing properties in the multimode regime (frequencies, thresholds, internal and external fields, output power and emission pattern) from simple inputs: the dielectric function of the passive cavity, the atomic transition frequency, and the transverse relaxation time of the lasing transition.We find that the theory gives excellent quantitative agreement with full time-dependent simulations of the Maxwell-Bloch equations after it has been generalized to drop the slowly-varying envelope approximation. The theory is infinite order in the non-linear hole-burning interaction; the widely used third order approximation is shown to fail badly.

Numerical solution of nonlinear partial differential equations of mixed type. [finite difference approximation

NASA Technical Reports Server (NTRS)

Jameson, A.

1976-01-01

A review is presented of some recently developed numerical methods for the solution of nonlinear equations of mixed type. The methods considered use finite difference approximations to the differential equation. Central difference formulas are employed in the subsonic zone and upwind difference formulas are used in the supersonic zone. The relaxation method for the small disturbance equation is discussed and a description is given of difference schemes for the potential flow equation in quasi-linear form. Attention is also given to difference schemes for the potential flow equation in conservation form, the analysis of relaxation schemes by the time dependent analogy, the accelerated iterative method, and three-dimensional calculations.

Using nonlinear forecasting to learn the magnitude and phasing of time-varying sediment suspension in the surf zone

USGS Publications Warehouse

Jaffe, B.E.; Rubin, D.M.

1996-01-01

The time-dependent response of sediment suspension to flow velocity was explored by modeling field measurements collected in the surf zone during a large storm. Linear and nonlinear models were created and tested using flow velocity as input and suspended-sediment concentration as output. A sequence of past velocities (velocity history), as well as velocity from the same instant as the suspended-sediment concentration, was used as input; this velocity history length was allowed to vary. The models also allowed for a lag between input (instantaneous velocity or end of velocity sequence) and output (suspended-sediment concentration). Predictions of concentration from instantaneous velocity or instantaneous velocity raised to a power (up to 8) using linear models were poor (correlation coefficients between predicted and observed concentrations were less than 0.10). Allowing a lag between velocity and concentration improved linear models (correlation coefficient of 0.30), with optimum lag time increasing with elevation above the seabed (from 1.5 s at 13 cm to 8.5 s at 60 cm). These lags are largely due to the time for an observed flow event to effect the bed and mix sediment upward. Using a velocity history further improved linear models (correlation coefficient of 0.43). The best linear model used 12.5 s of velocity history (approximately one wave period) to predict concentration. Nonlinear models gave better predictions than linear models, and, as with linear models, nonlinear models using a velocity history performed better than models using only instantaneous velocity as input. Including a lag time between the velocity and concentration also improved the predictions. The best model (correlation coefficient of 0.58) used 3 s (approximately a quarter wave period) of the cross-shore velocity squared, starting at 4.5 s before the observed concentration, to predict concentration. Using a velocity history increases the performance of the models by specifying a more complete description of the dynamical forcing of the flow (including accelerations and wave phase and shape) responsible for sediment suspension. Incorporating such a velocity history and a lag time into the formulation of the forcing for time-dependent models for sediment suspension in the surf zone will greatly increase our ability to predict suspended-sediment transport.

Legendre-tau approximation for functional differential equations. Part 2: The linear quadratic optimal control problem

NASA Technical Reports Server (NTRS)

Ito, K.; Teglas, R.

1984-01-01

The numerical scheme based on the Legendre-tau approximation is proposed to approximate the feedback solution to the linear quadratic optimal control problem for hereditary differential systems. The convergence property is established using Trotter ideas. The method yields very good approximations at low orders and provides an approximation technique for computing closed-loop eigenvalues of the feedback system. A comparison with existing methods (based on averaging and spline approximations) is made.

Legendre-tau approximation for functional differential equations. II - The linear quadratic optimal control problem

NASA Technical Reports Server (NTRS)

Ito, Kazufumi; Teglas, Russell

1987-01-01

The numerical scheme based on the Legendre-tau approximation is proposed to approximate the feedback solution to the linear quadratic optimal control problem for hereditary differential systems. The convergence property is established using Trotter ideas. The method yields very good approximations at low orders and provides an approximation technique for computing closed-loop eigenvalues of the feedback system. A comparison with existing methods (based on averaging and spline approximations) is made.

Quantum mean-field approximation for lattice quantum models: Truncating quantum correlations and retaining classical ones

NASA Astrophysics Data System (ADS)

Malpetti, Daniele; Roscilde, Tommaso

2017-02-01

The mean-field approximation is at the heart of our understanding of complex systems, despite its fundamental limitation of completely neglecting correlations between the elementary constituents. In a recent work [Phys. Rev. Lett. 117, 130401 (2016), 10.1103/PhysRevLett.117.130401], we have shown that in quantum many-body systems at finite temperature, two-point correlations can be formally separated into a thermal part and a quantum part and that quantum correlations are generically found to decay exponentially at finite temperature, with a characteristic, temperature-dependent quantum coherence length. The existence of these two different forms of correlation in quantum many-body systems suggests the possibility of formulating an approximation, which affects quantum correlations only, without preventing the correct description of classical fluctuations at all length scales. Focusing on lattice boson and quantum Ising models, we make use of the path-integral formulation of quantum statistical mechanics to introduce such an approximation, which we dub quantum mean-field (QMF) approach, and which can be readily generalized to a cluster form (cluster QMF or cQMF). The cQMF approximation reduces to cluster mean-field theory at T =0 , while at any finite temperature it produces a family of systematically improved, semi-classical approximations to the quantum statistical mechanics of the lattice theory at hand. Contrary to standard MF approximations, the correct nature of thermal critical phenomena is captured by any cluster size. In the two exemplary cases of the two-dimensional quantum Ising model and of two-dimensional quantum rotors, we study systematically the convergence of the cQMF approximation towards the exact result, and show that the convergence is typically linear or sublinear in the boundary-to-bulk ratio of the clusters as T →0 , while it becomes faster than linear as T grows. These results pave the way towards the development of semiclassical numerical approaches based on an approximate, yet systematically improved account of quantum correlations.

Dynamics of the standard deviations of three wind velocity components from the data of acoustic sounding

NASA Astrophysics Data System (ADS)

Krasnenko, N. P.; Kapegesheva, O. F.; Shamanaeva, L. G.

2017-11-01

Spatiotemporal dynamics of the standard deviations of three wind velocity components measured with a mini-sodar in the atmospheric boundary layer is analyzed. During the day on September 16 and at night on September 12 values of the standard deviation changed for the x- and y-components from 0.5 to 4 m/s, and for the z-component from 0.2 to 1.2 m/s. An analysis of the vertical profiles of the standard deviations of three wind velocity components for a 6-day measurement period has shown that the increase of σx and σy with altitude is well described by a power law dependence with exponent changing from 0.22 to 1.3 depending on the time of day, and σz depends linearly on the altitude. The approximation constants have been found and their errors have been estimated. The established physical regularities and the approximation constants allow the spatiotemporal dynamics of the standard deviation of three wind velocity components in the atmospheric boundary layer to be described and can be recommended for application in ABL models.

Wave packet dynamics for a non-linear Schrödinger equation describing continuous position measurements

NASA Astrophysics Data System (ADS)

Zander, C.; Plastino, A. R.; Díaz-Alonso, J.

2015-11-01

We investigate time-dependent solutions for a non-linear Schrödinger equation recently proposed by Nassar and Miret-Artés (NM) to describe the continuous measurement of the position of a quantum particle (Nassar, 2013; Nassar and Miret-Artés, 2013). Here we extend these previous studies in two different directions. On the one hand, we incorporate a potential energy term in the NM equation and explore the corresponding wave packet dynamics, while in the previous works the analysis was restricted to the free-particle case. On the other hand, we investigate time-dependent solutions while previous studies focused on a stationary one. We obtain exact wave packet solutions for linear and quadratic potentials, and approximate solutions for the Morse potential. The free-particle case is also revisited from a time-dependent point of view. Our analysis of time-dependent solutions allows us to determine the stability properties of the stationary solution considered in Nassar (2013), Nassar and Miret-Artés (2013). On the basis of these results we reconsider the Bohmian approach to the NM equation, taking into account the fact that the evolution equation for the probability density ρ =| ψ | 2 is not a continuity equation. We show that the effect of the source term appearing in the evolution equation for ρ has to be explicitly taken into account when interpreting the NM equation from a Bohmian point of view.

Energy Dependence of Elliptic Flow over a Large Pseudorapidity Range in Au+Au Collisions at the BNL Relativistic Heavy Ion Collider

NASA Astrophysics Data System (ADS)

Back, B. B.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Betts, R. R.; Bickley, A. A.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Chai, Z.; Decowski, M. P.; García, E.; Gburek, T.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Hauer, M.; Heintzelman, G. A.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Seals, H.; Sedykh, I.; Skulski, W.; Smith, C. E.; Stankiewicz, M. A.; Steinberg, P.; Stephans, G. S.; Sukhanov, A.; Tang, J.-L.; Tonjes, M. B.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Vaurynovich, S. S.; Verdier, R.; Veres, G. I.; Wenger, E.; Wolfs, F. L.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.

2005-04-01

This Letter describes the measurement of the energy dependence of elliptic flow for charged particles in Au+Au collisions using the PHOBOS detector at the Relativistic Heavy Ion Collider. Data taken at collision energies of √(sNN)=19.6, 62.4, 130, and 200 GeV are shown over a wide range in pseudorapidity. These results, when plotted as a function of η'=|η|-ybeam, scale with approximate linearity throughout η', implying no sharp changes in the dynamics of particle production as a function of pseudorapidity or increasing beam energy.

Energy dependence of elliptic flow over a large pseudorapidity range in Au+Au collisions at the BNL relativistic heavy ion collider.

PubMed

Back, B B; Baker, M D; Ballintijn, M; Barton, D S; Betts, R R; Bickley, A A; Bindel, R; Budzanowski, A; Busza, W; Carroll, A; Chai, Z; Decowski, M P; García, E; Gburek, T; George, N; Gulbrandsen, K; Gushue, S; Halliwell, C; Hamblen, J; Hauer, M; Heintzelman, G A; Henderson, C; Hofman, D J; Hollis, R S; Hołyński, R; Holzman, B; Iordanova, A; Johnson, E; Kane, J L; Katzy, J; Khan, N; Kucewicz, W; Kulinich, P; Kuo, C M; Lin, W T; Manly, S; McLeod, D; Mignerey, A C; Nouicer, R; Olszewski, A; Pak, R; Park, I C; Pernegger, H; Reed, C; Remsberg, L P; Reuter, M; Roland, C; Roland, G; Rosenberg, L; Sagerer, J; Sarin, P; Sawicki, P; Seals, H; Sedykh, I; Skulski, W; Smith, C E; Stankiewicz, M A; Steinberg, P; Stephans, G S F; Sukhanov, A; Tang, J-L; Tonjes, M B; Trzupek, A; Vale, C; van Nieuwenhuizen, G J; Vaurynovich, S S; Verdier, R; Veres, G I; Wenger, E; Wolfs, F L H; Wosiek, B; Woźniak, K; Wuosmaa, A H; Wysłouch, B

2005-04-01

This Letter describes the measurement of the energy dependence of elliptic flow for charged particles in Au+Au collisions using the PHOBOS detector at the Relativistic Heavy Ion Collider. Data taken at collision energies of square root of s(NN)=19.6, 62.4, 130, and 200 GeV are shown over a wide range in pseudorapidity. These results, when plotted as a function of eta(')=|eta|-y(beam), scale with approximate linearity throughout eta('), implying no sharp changes in the dynamics of particle production as a function of pseudorapidity or increasing beam energy.

Vertical spatial coherence model for a transient signal forward-scattered from the sea surface

USGS Publications Warehouse

Yoerger, E.J.; McDaniel, S.T.

1996-01-01

The treatment of acoustic energy forward scattered from the sea surface, which is modeled as a random communications scatter channel, is the basis for developing an expression for the time-dependent coherence function across a vertical receiving array. The derivation of this model uses linear filter theory applied to the Fresnel-corrected Kirchhoff approximation in obtaining an equation for the covariance function for the forward-scattered problem. The resulting formulation is used to study the dependence of the covariance on experimental and environmental factors. The modeled coherence functions are then formed for various geometrical and environmental parameters and compared to experimental data.

Sea surface mean square slope from Ku-band backscatter data

NASA Technical Reports Server (NTRS)

Jackson, F. C.; Walton, W. T.; Hines, D. E.; Walter, B. A.; Peng, C. Y.

1992-01-01

A surface mean-square-slope parameter analysis is conducted for 14-GHz airborne radar altimeter near-nadir, quasi-specular backscatter data, which in raw form obtained by least-squares fitting of an optical scattering model to the return waveform show an approximately linear dependence over the 7-15 m/sec wind speed range. Slope data are used to draw inferences on the structure of the high-wavenumber portion of the spectrum. A directionally-integrated model height spectrum that encompasses wind speed-dependent k exp -5/2 and classical Phillips k exp -3 power laws subranges in the range of gravity waves is supported by the data.

Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations

DOE PAGES

Bjorgaard, J. A.; Kuzmenko, V.; Velizhanin, K. A.; ...

2015-01-22

In this study, we implement and examine three excited state solvent models in time-dependent self-consistent field methods using a consistent formalism which unambiguously shows their relationship. These are the linear response, state specific, and vertical excitation solvent models. Their effects on energies calculated with the equivalent of COSMO/CIS/AM1 are given for a set of test molecules with varying excited state charge transfer character. The resulting solvent effects are explained qualitatively using a dipole approximation. It is shown that the fundamental differences between these solvent models are reflected by the character of the calculated excitations.

Spline smoothing of histograms by linear programming

NASA Technical Reports Server (NTRS)

Bennett, J. O.

1972-01-01

An algorithm for an approximating function to the frequency distribution is obtained from a sample of size n. To obtain the approximating function a histogram is made from the data. Next, Euclidean space approximations to the graph of the histogram using central B-splines as basis elements are obtained by linear programming. The approximating function has area one and is nonnegative.

Multifactor analysis of multiscaling in volatility return intervals.

PubMed

Wang, Fengzhong; Yamasaki, Kazuko; Havlin, Shlomo; Stanley, H Eugene

2009-01-01

We study the volatility time series of 1137 most traded stocks in the U.S. stock markets for the two-year period 2001-2002 and analyze their return intervals tau , which are time intervals between volatilities above a given threshold q . We explore the probability density function of tau , P_(q)(tau) , assuming a stretched exponential function, P_(q)(tau) approximately e;(-tau;(gamma)) . We find that the exponent gamma depends on the threshold in the range between q=1 and 6 standard deviations of the volatility. This finding supports the multiscaling nature of the return interval distribution. To better understand the multiscaling origin, we study how gamma depends on four essential factors, capitalization, risk, number of trades, and return. We show that gamma depends on the capitalization, risk, and return but almost does not depend on the number of trades. This suggests that gamma relates to the portfolio selection but not on the market activity. To further characterize the multiscaling of individual stocks, we fit the moments of tau , mu_(m) identical with(tautau);(m);(1m) , in the range of 10

Predicting non-linear dynamics by stable local learning in a recurrent spiking neural network.

PubMed

Gilra, Aditya; Gerstner, Wulfram

2017-11-27

The brain needs to predict how the body reacts to motor commands, but how a network of spiking neurons can learn non-linear body dynamics using local, online and stable learning rules is unclear. Here, we present a supervised learning scheme for the feedforward and recurrent connections in a network of heterogeneous spiking neurons. The error in the output is fed back through fixed random connections with a negative gain, causing the network to follow the desired dynamics. The rule for Feedback-based Online Local Learning Of Weights (FOLLOW) is local in the sense that weight changes depend on the presynaptic activity and the error signal projected onto the postsynaptic neuron. We provide examples of learning linear, non-linear and chaotic dynamics, as well as the dynamics of a two-link arm. Under reasonable approximations, we show, using the Lyapunov method, that FOLLOW learning is uniformly stable, with the error going to zero asymptotically.

Predicting non-linear dynamics by stable local learning in a recurrent spiking neural network

PubMed Central

Gerstner, Wulfram

2017-01-01

The brain needs to predict how the body reacts to motor commands, but how a network of spiking neurons can learn non-linear body dynamics using local, online and stable learning rules is unclear. Here, we present a supervised learning scheme for the feedforward and recurrent connections in a network of heterogeneous spiking neurons. The error in the output is fed back through fixed random connections with a negative gain, causing the network to follow the desired dynamics. The rule for Feedback-based Online Local Learning Of Weights (FOLLOW) is local in the sense that weight changes depend on the presynaptic activity and the error signal projected onto the postsynaptic neuron. We provide examples of learning linear, non-linear and chaotic dynamics, as well as the dynamics of a two-link arm. Under reasonable approximations, we show, using the Lyapunov method, that FOLLOW learning is uniformly stable, with the error going to zero asymptotically. PMID:29173280

Load and Time Dependence of Interfacial Chemical Bond-Induced Friction at the Nanoscale.

PubMed

Tian, Kaiwen; Gosvami, Nitya N; Goldsby, David L; Liu, Yun; Szlufarska, Izabela; Carpick, Robert W

2017-02-17

Rate and state friction (RSF) laws are widely used empirical relationships that describe the macroscale frictional behavior of a broad range of materials, including rocks found in the seismogenic zone of Earth's crust. A fundamental aspect of the RSF laws is frictional "aging," where friction increases with the time of stationary contact due to asperity creep and/or interfacial strengthening. Recent atomic force microscope (AFM) experiments and simulations found that nanoscale silica contacts exhibit aging due to the progressive formation of interfacial chemical bonds. The role of normal load (and, thus, normal stress) on this interfacial chemical bond-induced (ICBI) friction is predicted to be significant but has not been examined experimentally. Here, we show using AFM that, for nanoscale ICBI friction of silica-silica interfaces, aging (the difference between the maximum static friction and the kinetic friction) increases approximately linearly with the product of the normal load and the log of the hold time. This behavior is attributed to the approximately linear dependence of the contact area on the load in the positive load regime before significant wear occurs, as inferred from sliding friction measurements. This implies that the average pressure, and thus the average bond formation rate, is load independent within the accessible load range. We also consider a more accurate nonlinear model for the contact area, from which we extract the activation volume and the average stress-free energy barrier to the aging process. Our work provides an approach for studying the load and time dependence of contact aging at the nanoscale and further establishes RSF laws for nanoscale asperity contacts.

Load and Time Dependence of Interfacial Chemical Bond-Induced Friction at the Nanoscale

NASA Astrophysics Data System (ADS)

Tian, Kaiwen; Gosvami, Nitya N.; Goldsby, David L.; Liu, Yun; Szlufarska, Izabela; Carpick, Robert W.

2017-02-01

Rate and state friction (RSF) laws are widely used empirical relationships that describe the macroscale frictional behavior of a broad range of materials, including rocks found in the seismogenic zone of Earth's crust. A fundamental aspect of the RSF laws is frictional "aging," where friction increases with the time of stationary contact due to asperity creep and/or interfacial strengthening. Recent atomic force microscope (AFM) experiments and simulations found that nanoscale silica contacts exhibit aging due to the progressive formation of interfacial chemical bonds. The role of normal load (and, thus, normal stress) on this interfacial chemical bond-induced (ICBI) friction is predicted to be significant but has not been examined experimentally. Here, we show using AFM that, for nanoscale ICBI friction of silica-silica interfaces, aging (the difference between the maximum static friction and the kinetic friction) increases approximately linearly with the product of the normal load and the log of the hold time. This behavior is attributed to the approximately linear dependence of the contact area on the load in the positive load regime before significant wear occurs, as inferred from sliding friction measurements. This implies that the average pressure, and thus the average bond formation rate, is load independent within the accessible load range. We also consider a more accurate nonlinear model for the contact area, from which we extract the activation volume and the average stress-free energy barrier to the aging process. Our work provides an approach for studying the load and time dependence of contact aging at the nanoscale and further establishes RSF laws for nanoscale asperity contacts.

Implementing Linear Algebra Related Algorithms on the TI-92+ Calculator.

ERIC Educational Resources Information Center

Alexopoulos, John; Abraham, Paul

2001-01-01

Demonstrates a less utilized feature of the TI-92+: its natural and powerful programming language. Shows how to implement several linear algebra related algorithms including the Gram-Schmidt process, Least Squares Approximations, Wronskians, Cholesky Decompositions, and Generalized Linear Least Square Approximations with QR Decompositions.…

Numerical approximation for the infinite-dimensional discrete-time optimal linear-quadratic regulator problem

NASA Technical Reports Server (NTRS)

Gibson, J. S.; Rosen, I. G.

1986-01-01

An abstract approximation framework is developed for the finite and infinite time horizon discrete-time linear-quadratic regulator problem for systems whose state dynamics are described by a linear semigroup of operators on an infinite dimensional Hilbert space. The schemes included the framework yield finite dimensional approximations to the linear state feedback gains which determine the optimal control law. Convergence arguments are given. Examples involving hereditary and parabolic systems and the vibration of a flexible beam are considered. Spline-based finite element schemes for these classes of problems, together with numerical results, are presented and discussed.

Icosahedral quasicrystal Al71Pd21Mn08 and its ξ' approximant: Linear expansivity, specific heat, magnetic susceptibility, electrical resistivity, and elastic constants

NASA Astrophysics Data System (ADS)

Swenson, C. A.; Fisher, I. R.; Anderson, N. E.; Canfield, P. C.; Migliori, A.

2002-05-01

Linear thermal expansivity (α, 1-300 K), heat capacity (Cp, 1-108 K), magnetic susceptibility (χ, 1-300 K), and electrical resistivity (ρ, 1-300 K) measurements are reported for a single-grain i-Al71Pd21Mn08 quasicrystal and its Al72Pd25Mn03 approximant, and 300 K elastic constants for the quasicrystal. The approximant α (αAp) and Cp (CpAp) data show ``metallic'' behavior, while the previously reported onset of a transition to a spin-glass state (Tf<1.8 K) dominates αQ and CpQ below 11 K. CpAp and CpQ superimpose above 16 K when plotted vs T/Θ0 using the experimental Θ0Ap=455(3) K and an adjusted Θ0ApQ=480(4) K. The 300 K elastic constants extrapolated to T=0 give Θel0Q=505(1) K, suggesting that the normalization is valid only above 16 K. The lattice contribution to CpAp (and, indirectly, CpQ) shows strong (unique) deviations from Debye-like behavior (+3% at 0.84 K for the CpAp data fit). The various Grüneisen parameters (Γ) that are calculated from these data all are positive and normal in magnitude except for a large limiting approximant lattice value, Γlat0Ap=11.3, which may be related to the large dispersion effects in Cp. For the approximant, the combination of anisotropic and large resistivities, a small diamagnetic susceptibility, and a ``large'' linear (electronic) contribution to CpAp (γAp=0.794 mJ/mol K2) suggests the existence of a pseudogap in the electronic density of states. The unusually large, highly volume dependent, dispersion at low temperatures for the quasicrystal and its approximant are not consistent with inelastic neutron scattering and other data, and raise questions about the role of phonons in quasicrystals. The present 300 K resistivities can be used with a published correlation to estimate γQ~0.25 mJ/mol K2.

Documentation of computer program VS2D to solve the equations of fluid flow in variably saturated porous media

USGS Publications Warehouse

Lappala, E.G.; Healy, R.W.; Weeks, E.P.

1987-01-01

This report documents FORTRAN computer code for solving problems involving variably saturated single-phase flow in porous media. The flow equation is written with total hydraulic potential as the dependent variable, which allows straightforward treatment of both saturated and unsaturated conditions. The spatial derivatives in the flow equation are approximated by central differences, and time derivatives are approximated either by a fully implicit backward or by a centered-difference scheme. Nonlinear conductance and storage terms may be linearized using either an explicit method or an implicit Newton-Raphson method. Relative hydraulic conductivity is evaluated at cell boundaries by using either full upstream weighting, the arithmetic mean, or the geometric mean of values from adjacent cells. Nonlinear boundary conditions treated by the code include infiltration, evaporation, and seepage faces. Extraction by plant roots that is caused by atmospheric demand is included as a nonlinear sink term. These nonlinear boundary and sink terms are linearized implicitly. The code has been verified for several one-dimensional linear problems for which analytical solutions exist and against two nonlinear problems that have been simulated with other numerical models. A complete listing of data-entry requirements and data entry and results for three example problems are provided. (USGS)

Speech Data Analysis for Semantic Indexing of Video of Simulated Medical Crises

DTIC Science & Technology

2015-05-01

scheduled approximately twice per week and are recorded as video data. During each session, the physician/instructor must manually review and anno - tate...spectrum, y, using regression line: y = ln(1 + Jx), (2.3) where x is the auditory power spectral amplitude, J is a singal-dependent pos- itive constant...The amplitude-warping transform is linear-like for J 1 and logarithmic-like for J 1. 3. RASTA filtering: reintegrate the log critical-band

Generalized hydrodynamic transport in lattice-gas automata

NASA Technical Reports Server (NTRS)

Luo, Li-Shi; Chen, Hudong; Chen, Shiyi; Doolen, Gary D.; Lee, Yee-Chun

1991-01-01

The generalized hydrodynamics of two-dimensional lattice-gas automata is solved analytically in the linearized Boltzmann approximation. The dependence of the transport coefficients (kinematic viscosity, bulk viscosity, and sound speed) upon wave number k is obtained analytically. Anisotropy of these coefficients due to the lattice symmetry is studied for the entire range of wave number, k. Boundary effects due to a finite mean free path (Knudsen layer) are analyzed, and accurate comparisons are made with lattice-gas simulations.

Asymptotics of quasi-classical localized states in 2D system of charged hard-core bosons

NASA Astrophysics Data System (ADS)

Panov, Yu. D.; Moskvin, A. S.

2018-05-01

The continuous quasi-classical two-sublattice approximation is constructed for the 2D system of charged hard-core bosons to explore metastable inhomogeneous states analogous to inhomogeneous localized excitations in magnetic systems. The types of localized excitations are determined by asymptotic analysis and compared with numerical results. Depending on the homogeneous ground state, the excitations are the ferro and antiferro type vortices, the skyrmion-like topological excitations or linear domain walls.

Non-Linear Cosmological Power Spectra in Real and Redshift Space

NASA Technical Reports Server (NTRS)

Taylor, A. N.; Hamilton, A. J. S.

1996-01-01

We present an expression for the non-linear evolution of the cosmological power spectrum based on Lagrangian trajectories. This is simplified using the Zel'dovich approximation to trace particle displacements, assuming Gaussian initial conditions. The model is found to exhibit the transfer of power from large to small scales expected in self-gravitating fields. Some exact solutions are found for power-law initial spectra. We have extended this analysis into red-shift space and found a solution for the non-linear, anisotropic redshift-space power spectrum in the limit of plane-parallel redshift distortions. The quadrupole-to-monopole ratio is calculated for the case of power-law initial spectra. We find that the shape of this ratio depends on the shape of the initial spectrum, but when scaled to linear theory depends only weakly on the redshift-space distortion parameter, beta. The point of zero-crossing of the quadrupole, kappa(sub o), is found to obey a simple scaling relation and we calculate this scale in the Zel'dovich approximation. This model is found to be in good agreement with a series of N-body simulations on scales down to the zero-crossing of the quadrupole, although the wavenumber at zero-crossing is underestimated. These results are applied to the quadrupole-to-monopole ratio found in the merged QDOT plus 1.2-Jy-IRAS redshift survey. Using a likelihood technique we have estimated that the distortion parameter is constrained to be beta greater than 0.5 at the 95 percent level. Our results are fairly insensitive to the local primordial spectral slope, but the likelihood analysis suggests n = -2 un the translinear regime. The zero-crossing scale of the quadrupole is k(sub 0) = 0.5 +/- 0.1 h Mpc(exp -1) and from this we infer that the amplitude of clustering is sigma(sub 8) = 0.7 +/- 0.05. We suggest that the success of this model is due to non-linear redshift-space effects arising from infall on to caustic and is not dominated by virialized cluster cores. The latter should start to dominate on scales below the zero-crossing of the quadrupole, where our model breaks down.

Free-bound electron exchange contribution to l-split atomic structure in dense plasmas

NASA Astrophysics Data System (ADS)

Bennadji, K.; Rosmej, F.; Lisitsa, V. S.

2013-11-01

An analytical expression for the exchange energy between the bound electron in hydrogen-like ions and the free electrons of plasma is proposed. Two limiting cases are identified: 1) the low temperature limit where the energy depends linearly on density and on the ion charge as 1/Z2 but does not depend on the temperature itself, 2) the high temperature limit where the energy depends on temperature as 1/T but does not depend on the ion charge. These two regimes are separated by a characteristic temperature (T∗ = 4Z2Ry) which is a universal parameter depending only on the charge Z of the ions. We presented numerical results for aluminum: the exchange energy contributes about 15% to the total plasma energy and can reach an order of 10-4 of the total transition energy. Comparison to the Local-density Approximation (Kohn-Sham) exchange energy shows a good agreement.

CONTRIBUTIONS TO RATIONAL APPROXIMATION,

DTIC Science & Technology

Some of the key results of linear Chebyshev approximation theory are extended to generalized rational functions. Prominent among these is Haar’s...linear theorem which yields necessary and sufficient conditions for uniqueness. Some new results in the classic field of rational function Chebyshev...Furthermore a Weierstrass type theorem is proven for rational Chebyshev approximation. A characterization theorem for rational trigonometric Chebyshev approximation in terms of sign alternation is developed. (Author)

Linear and non-linear Modified Gravity forecasts with future surveys

NASA Astrophysics Data System (ADS)

Casas, Santiago; Kunz, Martin; Martinelli, Matteo; Pettorino, Valeria

2017-12-01

Modified Gravity theories generally affect the Poisson equation and the gravitational slip in an observable way, that can be parameterized by two generic functions (η and μ) of time and space. We bin their time dependence in redshift and present forecasts on each bin for future surveys like Euclid. We consider both Galaxy Clustering and Weak Lensing surveys, showing the impact of the non-linear regime, with two different semi-analytical approximations. In addition to these future observables, we use a prior covariance matrix derived from the Planck observations of the Cosmic Microwave Background. In this work we neglect the information from the cross correlation of these observables, and treat them as independent. Our results show that η and μ in different redshift bins are significantly correlated, but including non-linear scales reduces or even eliminates the correlation, breaking the degeneracy between Modified Gravity parameters and the overall amplitude of the matter power spectrum. We further apply a Zero-phase Component Analysis and identify which combinations of the Modified Gravity parameter amplitudes, in different redshift bins, are best constrained by future surveys. We extend the analysis to two particular parameterizations of μ and η and consider, in addition to Euclid, also SKA1, SKA2, DESI: we find in this case that future surveys will be able to constrain the current values of η and μ at the 2-5% level when using only linear scales (wavevector k < 0 . 15 h/Mpc), depending on the specific time parameterization; sensitivity improves to about 1% when non-linearities are included.

From neurons to circuits: linear estimation of local field potentials.

PubMed

Rasch, Malte; Logothetis, Nikos K; Kreiman, Gabriel

2009-11-04

Extracellular physiological recordings are typically separated into two frequency bands: local field potentials (LFPs) (a circuit property) and spiking multiunit activity (MUA). Recently, there has been increased interest in LFPs because of their correlation with functional magnetic resonance imaging blood oxygenation level-dependent measurements and the possibility of studying local processing and neuronal synchrony. To further understand the biophysical origin of LFPs, we asked whether it is possible to estimate their time course based on the spiking activity from the same electrode or nearby electrodes. We used "signal estimation theory" to show that a linear filter operation on the activity of one or a few neurons can explain a significant fraction of the LFP time course in the macaque monkey primary visual cortex. The linear filter used to estimate the LFPs had a stereotypical shape characterized by a sharp downstroke at negative time lags and a slower positive upstroke for positive time lags. The filter was similar across different neocortical regions and behavioral conditions, including spontaneous activity and visual stimulation. The estimations had a spatial resolution of approximately 1 mm and a temporal resolution of approximately 200 ms. By considering a causal filter, we observed a temporal asymmetry such that the positive time lags in the filter contributed more to the LFP estimation than the negative time lags. Additionally, we showed that spikes occurring within approximately 10 ms of spikes from nearby neurons yielded better estimation accuracies than nonsynchronous spikes. In summary, our results suggest that at least some circuit-level local properties of the field potentials can be predicted from the activity of one or a few neurons.

Application of ab initio many-body perturbation theory with Gaussian basis sets to the singlet and triplet excitations of organic molecules

NASA Astrophysics Data System (ADS)

Hamed, Samia; Rangel, Tonatiuh; Bruneval, Fabien; Neaton, Jeffrey B.

Quantitative understanding of charged and neutral excitations of organic molecules is critical in diverse areas of study that include astrophysics and the development of energy technologies that are clean and efficient. The recent use of local basis sets with ab initio many-body perturbation theory in the GW approximation and the Bethe-Saltpeter equation approach (BSE), methods traditionally applied to periodic condensed phases with a plane-wave basis, has opened the door to detailed study of such excitations for molecules, as well as accurate numerical benchmarks. Here, through a series of systematic benchmarks with a Gaussian basis, we report on the extent to which the predictive power and utility of this approach depend critically on interdependent underlying approximations and choices for molecules, including the mean-field starting point (eg optimally-tuned range separated hybrids, pure DFT functionals, and untuned hybrids), the GW scheme, and the Tamm Dancoff approximation. We demonstrate the effects of these choices in the context of Thiels' set while drawing analogies to linear-response time-dependent DFT and making comparisons to best theoretical estimates from higher-order wavefunction-based theories.

Design of Feedforward Controller to Reduce Force Ripple for Linear Motor using Halbach Magnet Array with T Shape Magnet

NASA Astrophysics Data System (ADS)

Kim, Moojong; Kim, Jinyoung; Lee, Moon G.

Recently, in micro/nano fabrication equipments, linear motors are widely used as an actuator to position workpiece, machining tool and measurement head. To control them faster and more precise, the motor should have high actuating force and small force ripple. High actuating force enable us to more workpiece with high acceleration. Eventually, it may provide higher throughput. Force ripple gives detrimental effect on the precision and tracking performance of the equipments. In order to accomplish more precise motion, it is important to make lower the force ripple. Force ripple is categorized into cogging and mutual ripple. First is dependent on the shape of magnets and/or core. The second is not dependent on them but dependent on current commutation. In this work, coreless mover i.e. coil winding is applied to the linear motor to avoid the cogging ripple. Therefore, the mutual ripple is only considered to be minimized. Ideal Halbach magnet array has continuously varying magnetization. The THMA (Halbach magnet array with T shape magnets) is proposed to approximate the ideal one. The THMA can not produce ideal sinusoidal flux, therefore, the linear motor with THMA and sinusoidal commutation of current generates the mutual force ripple. In this paper, in order to compensate mutual force ripple by feedforward(FF) controller, we calculate the optimized commutation of input current. The ripple is lower than 1.17% of actuating force if the commutation current agree with the magnetic flux from THMA. The performance of feedforward(FF) controller is verified by experiment.

Diffusion of isolated DNA molecules: dependence on length and topology.

PubMed

Robertson, Rae M; Laib, Stephan; Smith, Douglas E

2006-05-09

The conformation and dynamics of circular polymers is a subject of considerable theoretical and experimental interest. DNA is an important example because it occurs naturally in different topological states, including linear, relaxed circular, and supercoiled circular forms. A fundamental question is how the diffusion coefficients of isolated polymers scale with molecular length and how they vary for different topologies. Here, diffusion coefficients D for relaxed circular, supercoiled, and linear DNA molecules of length L ranging from approximately 6 to 290 kbp were measured by tracking the Brownian motion of single molecules. A topology-independent scaling law D approximately L(-nu) was observed with nu(L) = 0.571 +/- 0.014, nu(C) = 0.589 +/- 0.018, and nu(S) = 0.571 +/- 0.057 for linear, relaxed circular, and supercoiled DNA, respectively, in good agreement with the scaling exponent of nu congruent with 0.588 predicted by renormalization group theory for polymers with significant excluded volume interactions. Our findings thus provide evidence in support of several theories that predict an effective diameter of DNA much greater than the Debye screening length. In addition, the measured ratio D(Circular)/D(Linear) = 1.32 +/- 0.014 was closer to the value of 1.45 predicted by using renormalization group theory than the value of 1.18 predicted by classical Kirkwood hydrodynamic theory and agreed well with a value of 1.31 predicted when incorporating a recently proposed expression for the radius of gyration of circular polymers into the Zimm model.

Reinforcement learning solution for HJB equation arising in constrained optimal control problem.

PubMed

Luo, Biao; Wu, Huai-Ning; Huang, Tingwen; Liu, Derong

2015-11-01

The constrained optimal control problem depends on the solution of the complicated Hamilton-Jacobi-Bellman equation (HJBE). In this paper, a data-based off-policy reinforcement learning (RL) method is proposed, which learns the solution of the HJBE and the optimal control policy from real system data. One important feature of the off-policy RL is that its policy evaluation can be realized with data generated by other behavior policies, not necessarily the target policy, which solves the insufficient exploration problem. The convergence of the off-policy RL is proved by demonstrating its equivalence to the successive approximation approach. Its implementation procedure is based on the actor-critic neural networks structure, where the function approximation is conducted with linearly independent basis functions. Subsequently, the convergence of the implementation procedure with function approximation is also proved. Finally, its effectiveness is verified through computer simulations. Copyright © 2015 Elsevier Ltd. All rights reserved.

Adaptive optics system performance approximations for atmospheric turbulence correction

NASA Astrophysics Data System (ADS)

Tyson, Robert K.

1990-10-01

Analysis of adaptive optics system behavior often can be reduced to a few approximations and scaling laws. For atmospheric turbulence correction, the deformable mirror (DM) fitting error is most often used to determine a priori the interactuator spacing and the total number of correction zones required. This paper examines the mirror fitting error in terms of its most commonly used exponential form. The explicit constant in the error term is dependent on deformable mirror influence function shape and actuator geometry. The method of least squares fitting of discrete influence functions to the turbulent wavefront is compared to the linear spatial filtering approximation of system performance. It is found that the spatial filtering method overstimates the correctability of the adaptive optics system by a small amount. By evaluating fitting error for a number of DM configurations, actuator geometries, and influence functions, fitting error constants verify some earlier investigations.

Methodology and apparatus for diffuse photon imaging

DOEpatents

Feng, S.C.; Zeng, F.; Zhao, H.L.

1997-12-09

Non-invasive near infrared optical medical imaging devices for both hematoma detection in the brain and early tumor detection in the breast is achieved using image reconstruction which allows a mapping of the position dependent contrast diffusive propagation constants, which are related to the optical absorption coefficient and scattering coefficient in the tissue, at near infrared wavelengths. Spatial resolutions in the range of 5 mm for adult brain sizes and breast sizes can be achieved. The image reconstruction utilizes WKB approximation on most probable diffusion paths which has as lowest order approximation the straight line-of-sight between the plurality of sources and the plurality of detectors. The WKB approximation yields a set of linear equations in which the contrast optical absorption coefficients are the unknowns and for which signals can be generated to produce a pixel map of the contrast optical resolution of the scanned tissue. 58 figs.

Methodology and apparatus for diffuse photon mimaging

DOEpatents

Feng, Shechao C.; Zeng, Fanan; Zhao, Hui-Lin

1997-12-09

Non-invasive near infrared optical medical imaging devices for both hematoma detection in the brain and early tumor detection in the breast is achieved using image reconstruction which allows a mapping of the position dependent contrast diffusive propagation constants, which are related to the optical absorption coefficient and scattering coefficient in the tissue, at near infrared wavelengths. Spatial resolutions in the range of 5 mm for adult brain sizes and breast sizes can be achieved. The image reconstruction utilizes WKB approximation on most probable diffusion paths which has as lowest order approximation the straight line-of-sight between the plurality of sources and the plurality of detectors. The WKB approximation yields a set of linear equations in which the contrast optical absorption coefficients are the unknowns and for which signals can be generated to produce a pixel map of the contrast optical resolution of the scanned tissue.

Calculation and manipulation of the chirp rates of high-order harmonics

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

Murakami, M.; Mauritsson, J.; Schafer, K.J.

2005-01-01

We calculate the linear chirp rates of high-order harmonics in argon, generated by intense, 810 nm laser pulses, and explore the dependence of the chirp rate on harmonic order, driving laser intensity, and pulse duration. By using a time-frequency representation of the harmonic fields we can identify several different linear chirp contributions to the plateau harmonics. Our results, which are based on numerical integration of the time-dependent Schroedinger equation, are in good agreement with the adiabatic predictions of the strong field approximation for the chirp rates. Extending the theoretical analysis in the recent paper by Mauritsson et al. [Phys. Rev.more » A 70, 021801(R) (2004)], we also manipulate the chirp rates of the harmonics by adding a chirp to the driving pulse. We show that the chirp rate for harmonic q is given by the sum of the intrinsic chirp rate, which is determined by the new duration and peak intensity of the chirped driving pulse, and q times the external chirp rate.« less

Physical aging effects on the compressive linear viscoelastic creep of IM7/K3B composite

NASA Technical Reports Server (NTRS)

Veazie, David R.; Gates, Thomas S.

1995-01-01

An experimental study was undertaken to establish the viscoelastic behavior of 1M7/K3B composite in compression at elevated temperature. Creep compliance, strain recovery and the effects of physical aging on the time dependent response was measured for uniaxial loading at several isothermal conditions below the glass transition temperature (T(g)). The IM7/K3B composite is a graphite reinforced thermoplastic polyimide with a T(g) of approximately 240 C. In a composite, the two matrix dominated compliance terms associated with time dependent behavior occur in the transverse and shear directions. Linear viscoelasticity was used to characterize the creep/recovery behavior and superposition techniques were used to establish the physical aging related material constants. Creep strain was converted to compliance and measured as a function of test time and aging time. Results included creep compliance master curves, physical aging shift factors and shift rates. The description of the unique experimental techniques required for compressive testing is also given.

Generalized scaling relationships on transition metals: Influence of adsorbate-coadsorbate interactions

NASA Astrophysics Data System (ADS)

Majumdar, Paulami; Greeley, Jeffrey

2018-04-01

Linear scaling relations of adsorbate energies across a range of catalytic surfaces have emerged as a central interpretive paradigm in heterogeneous catalysis. They are, however, typically developed for low adsorbate coverages which are not always representative of realistic heterogeneous catalytic environments. Herein, we present generalized linear scaling relations on transition metals that explicitly consider adsorbate-coadsorbate interactions at variable coverages. The slopes of these scaling relations do not follow the simple bond counting principles that govern scaling on transition metals at lower coverages. The deviations from bond counting are explained using a pairwise interaction model wherein the interaction parameter determines the slope of the scaling relationship on a given metal at variable coadsorbate coverages, and the slope across different metals at fixed coadsorbate coverage is approximated by adding a coverage-dependent correction to the standard bond counting contribution. The analysis provides a compact explanation for coverage-dependent deviations from bond counting in scaling relationships and suggests a useful strategy for incorporation of coverage effects into catalytic trends studies.

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.

Renormalization-group theory of plasma microturbulence

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

Carati, D.; Chriaa, K.; Balescu, R.

1994-08-01

The dynamical renormalization-group methods are applied to the gyrokinetic equation describing drift-wave turbulence in plasmas. As in both magnetohydrodynamic and neutral turbulence, small-scale fluctuations appear to act as effective dissipative processes on large-scale phenomena. A linear renormalized gyrokinetic equation is derived. No artificial forcing is introduced into the equations and all the renormalized corrections are expressed in terms of the fluctuating electric potential. The link with the quasilinear limit and the direct interaction approximation is investigated. Simple analytical expressions for the anomalous transport coefficients are derived by using the linear renormalized gyrokinetic equation. Examples show that both quasilinear and Bohmmore » scalings can be recovered depending on the spectral amplitude of the electric potential fluctuations.« less

On Interactions of Oscillation Modes for a Weakly Non-Linear Undamped Elastic Beam with AN External Force

NASA Astrophysics Data System (ADS)

BOERTJENS, G. J.; VAN HORSSEN, W. T.

2000-08-01

In this paper an initial-boundary value problem for the vertical displacement of a weakly non-linear elastic beam with an harmonic excitation in the horizontal direction at the ends of the beam is studied. The initial-boundary value problem can be regarded as a simple model describing oscillations of flexible structures like suspension bridges or iced overhead transmission lines. Using a two-time-scales perturbation method an approximation of the solution of the initial-boundary value problem is constructed. Interactions between different oscillation modes of the beam are studied. It is shown that for certain external excitations, depending on the phase of an oscillation mode, the amplitude of specific oscillation modes changes.

Analytical solution to compensate for thermal expansion change in photopolymer volume holograms using a tunable laser.

PubMed

Tanaka, Tomiji; Watanabe, Kenjiro

2008-02-20

For holographic data storage, it is necessary to adjust the wavelength and direction of the reading beam if the reading and recording temperature do not match. An analytical solution for this adjustment is derived using first-order approximations in a two-dimensional model. The optimum wavelength is a linear function of the temperature difference between recording and reading, and is independent of the direction of the reference beam. However, the optimum direction of incidence is not only a linear function of the temperature difference, but also depends on the direction of the reference beam. The retrieved image, which is produced by a diffracted beam, shrinks or expands slightly according to the temperature difference.

On conforming mixed finite element methods for incompressible viscous flow problems

NASA Technical Reports Server (NTRS)

Gunzburger, M. D; Nicolaides, R. A.; Peterson, J. S.

1982-01-01

The application of conforming mixed finite element methods to obtain approximate solutions of linearized Navier-Stokes equations is examined. Attention is given to the convergence rates of various finite element approximations of the pressure and the velocity field. The optimality of the convergence rates are addressed in terms of comparisons of the approximation convergence to a smooth solution in relation to the best approximation available for the finite element space used. Consideration is also devoted to techniques for efficient use of a Gaussian elimination algorithm to obtain a solution to a system of linear algebraic equations derived by finite element discretizations of linear partial differential equations.

Self-Consistent Field Theory of Gaussian Ring Polymers

NASA Astrophysics Data System (ADS)

Kim, Jaeup; Yang, Yong-Biao; Lee, Won Bo

2012-02-01

Ring polymers, being free from chain ends, have fundamental importance in understanding the polymer statics and dynamics which are strongly influenced by the chain end effects. At a glance, their theoretical treatment may not seem particularly difficult, but the absence of chain ends and the topological constraints make the problem non-trivial, which results in limited success in the analytical or semi-analytical formulation of ring polymer theory. Here, I present a self-consistent field theory (SCFT) formalism of Gaussian (topologically unconstrained) ring polymers for the first time. The resulting static property of homogeneous and inhomogeneous ring polymers are compared with the random phase approximation (RPA) results. The critical point for ring homopolymer system is exactly the same as the linear polymer case, χN = 2, since a critical point does not depend on local structures of polymers. The critical point for ring diblock copolymer melts is χN 17.795, which is approximately 1.7 times of that of linear diblock copolymer melts, χN 10.495. The difference is due to the ring structure constraint.

A Reduced Dimension Static, Linearized Kalman Filter and Smoother

NASA Technical Reports Server (NTRS)

Fukumori, I.

1995-01-01

An approximate Kalman filter and smoother, based on approximations of the state estimation error covariance matrix, is described. Approximations include a reduction of the effective state dimension, use of a static asymptotic error limit, and a time-invariant linearization of the dynamic model for error integration. The approximations lead to dramatic computational savings in applying estimation theory to large complex systems. Examples of use come from TOPEX/POSEIDON.

Continuous approximation for interaction energy of adamantane encapsulated inside carbon nanotubes

NASA Astrophysics Data System (ADS)

Baowan, Duangkamon; Hill, James M.; Bacsa, Wolfgang

2018-02-01

The interaction energy for two adjacent adamantane molecules and that of adamantane molecules encapsulated inside carbon nanotubes are investigated considering only dipole-dipole induced interaction. The Lennard-Jones potential and the continuous approximation are utilised to derive analytical expressions for these interaction energies. The equilibrium distance 3.281 Å between two adamantane molecules is determined. The smallest carbon nanotube radius b0 that can encapsulate the adamantane molecule and the radius of the tube bmax that gives the maximum suction energy, linearly depend on the adamantane radius, are calculated. For larger diameter tubes, the off axis position has been calculated, and equilibrium distance between molecule and tube wall is found to be close to the interlayer spacing in graphene.

Finite state modeling of aeroelastic systems

NASA Technical Reports Server (NTRS)

Vepa, R.

1977-01-01

A general theory of finite state modeling of aerodynamic loads on thin airfoils and lifting surfaces performing completely arbitrary, small, time-dependent motions in an airstream is developed and presented. The nature of the behavior of the unsteady airloads in the frequency domain is explained, using as raw materials any of the unsteady linearized theories that have been mechanized for simple harmonic oscillations. Each desired aerodynamic transfer function is approximated by means of an appropriate Pade approximant, that is, a rational function of finite degree polynomials in the Laplace transform variable. The modeling technique is applied to several two dimensional and three dimensional airfoils. Circular, elliptic, rectangular and tapered planforms are considered as examples. Identical functions are also obtained for control surfaces for two and three dimensional airfoils.

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

Chen, Chao; Pouransari, Hadi; Rajamanickam, Sivasankaran

We present a parallel hierarchical solver for general sparse linear systems on distributed-memory machines. For large-scale problems, this fully algebraic algorithm is faster and more memory-efficient than sparse direct solvers because it exploits the low-rank structure of fill-in blocks. Depending on the accuracy of low-rank approximations, the hierarchical solver can be used either as a direct solver or as a preconditioner. The parallel algorithm is based on data decomposition and requires only local communication for updating boundary data on every processor. Moreover, the computation-to-communication ratio of the parallel algorithm is approximately the volume-to-surface-area ratio of the subdomain owned by everymore » processor. We also provide various numerical results to demonstrate the versatility and scalability of the parallel algorithm.« less

Synchronization of mobile chaotic oscillator networks

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

Fujiwara, Naoya, E-mail: fujiwara@csis.u-tokyo.ac.jp; Kurths, Jürgen; Díaz-Guilera, Albert

We study synchronization of systems in which agents holding chaotic oscillators move in a two-dimensional plane and interact with nearby ones forming a time dependent network. Due to the uncertainty in observing other agents' states, we assume that the interaction contains a certain amount of noise that turns out to be relevant for chaotic dynamics. We find that a synchronization transition takes place by changing a control parameter. But this transition depends on the relative dynamic scale of motion and interaction. When the topology change is slow, we observe an intermittent switching between laminar and burst states close to themore » transition due to small noise. This novel type of synchronization transition and intermittency can happen even when complete synchronization is linearly stable in the absence of noise. We show that the linear stability of the synchronized state is not a sufficient condition for its stability due to strong fluctuations of the transverse Lyapunov exponent associated with a slow network topology change. Since this effect can be observed within the linearized dynamics, we can expect such an effect in the temporal networks with noisy chaotic oscillators, irrespective of the details of the oscillator dynamics. When the topology change is fast, a linearized approximation describes well the dynamics towards synchrony. These results imply that the fluctuations of the finite-time transverse Lyapunov exponent should also be taken into account to estimate synchronization of the mobile contact networks.« less

Excitation energies from range-separated time-dependent density and density matrix functional theory.

PubMed

Pernal, Katarzyna

2012-05-14

Time-dependent density functional theory (TD-DFT) in the adiabatic formulation exhibits known failures when applied to predicting excitation energies. One of them is the lack of the doubly excited configurations. On the other hand, the time-dependent theory based on a one-electron reduced density matrix functional (time-dependent density matrix functional theory, TD-DMFT) has proven accurate in determining single and double excitations of H(2) molecule if the exact functional is employed in the adiabatic approximation. We propose a new approach for computing excited state energies that relies on functionals of electron density and one-electron reduced density matrix, where the latter is applied in the long-range region of electron-electron interactions. A similar approach has been recently successfully employed in predicting ground state potential energy curves of diatomic molecules even in the dissociation limit, where static correlation effects are dominating. In the paper, a time-dependent functional theory based on the range-separation of electronic interaction operator is rigorously formulated. To turn the approach into a practical scheme the adiabatic approximation is proposed for the short- and long-range components of the coupling matrix present in the linear response equations. In the end, the problem of finding excitation energies is turned into an eigenproblem for a symmetric matrix. Assignment of obtained excitations is discussed and it is shown how to identify double excitations from the analysis of approximate transition density matrix elements. The proposed method used with the short-range local density approximation (srLDA) and the long-range Buijse-Baerends density matrix functional (lrBB) is applied to H(2) molecule (at equilibrium geometry and in the dissociation limit) and to Be atom. The method accounts for double excitations in the investigated systems but, unfortunately, the accuracy of some of them is poor. The quality of the other excitations is in general much better than that offered by TD-DFT-LDA or TD-DMFT-BB approximations if the range-separation parameter is properly chosen. The latter remains an open problem.

Dynamics of flexible fibers and vesicles in Poiseuille flow at low Reynolds number.

PubMed

Farutin, Alexander; Piasecki, Tomasz; Słowicka, Agnieszka M; Misbah, Chaouqi; Wajnryb, Eligiusz; Ekiel-Jeżewska, Maria L

2016-09-21

The dynamics of flexible fibers and vesicles in unbounded planar Poiseuille flow at low Reynolds number is shown to exhibit similar basic features, when their equilibrium (moderate) aspect ratio is the same and vesicle viscosity contrast is relatively high. Tumbling, lateral migration, accumulation and shape evolution of these two types of flexible objects are analyzed numerically. The linear dependence of the accumulation position on relative bending rigidity, and other universal scalings are derived from the local shear flow approximation.

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.

Algorithm Estimates Microwave Water-Vapor Delay

NASA Technical Reports Server (NTRS)

Robinson, Steven E.

1989-01-01

Accuracy equals or exceeds conventional linear algorithms. "Profile" algorithm improved algorithm using water-vapor-radiometer data to produce estimates of microwave delays caused by water vapor in troposphere. Does not require site-specific and weather-dependent empirical parameters other than standard meteorological data, latitude, and altitude for use in conjunction with published standard atmospheric data. Basic premise of profile algorithm, wet-path delay approximated closely by solution to simplified version of nonlinear delay problem and generated numerically from each radiometer observation and simultaneous meteorological data.

Failure of underground concrete structures subjected to blast loadings

NASA Technical Reports Server (NTRS)

Ross, C. A.; Nash, P. T.; Griner, G. R.

1979-01-01

The response and failure of two edges of free reinforced concrete slabs subjected to intermediate blast loadings are examined. The failure of the reinforced concrete structures is defined as a condition where actual separation or fracture of the reinforcing elements has occurred. Approximate theoretical methods using stationary and moving plastic hinge mechanisms with linearly varying and time dependent loadings are developed. Equations developed to predict deflection and failure of reinforced concrete beams are presented and compared with the experimental results.

Experimental Studies of Josephson Effect

DTIC Science & Technology

1990-09-06

to test predictions that macroscopic variables, such as the flux through a SQUID loop, display quantum mechanical properties such as tunneling and...approximately Oo/L as flux quanta enter the loop. In the Josephson junctions used here are lead-alloy tunnel junc- linear region, for I, <<J, the rate...magnetometer. The junctions ln(F)-AU/kT+In(f/2z). (3) used were nominal I x I pm 2 Nb/AI2O3/Nb tunnel junc- As Fig. 3 shows, the observed dependence is in

Error analysis of finite element method for Poisson–Nernst–Planck equations

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

Sun, Yuzhou; Sun, Pengtao; Zheng, Bin

A priori error estimates of finite element method for time-dependent Poisson-Nernst-Planck equations are studied in this work. We obtain the optimal error estimates in L∞(H1) and L2(H1) norms, and suboptimal error estimates in L∞(L2) norm, with linear element, and optimal error estimates in L∞(L2) norm with quadratic or higher-order element, for both semi- and fully discrete finite element approximations. Numerical experiments are also given to validate the theoretical results.

Superconductor in a weak static gravitational field

NASA Astrophysics Data System (ADS)

Ummarino, Giovanni Alberto; Gallerati, Antonio

2017-08-01

We provide the detailed calculation of a general form for Maxwell and London equations that takes into account gravitational corrections in linear approximation. We determine the possible alteration of a static gravitational field in a superconductor making use of the time-dependent Ginzburg-Landau equations, providing also an analytic solution in the weak field condition. Finally, we compare the behavior of a high-T_ {c} superconductor with a classical low-T_ {c} superconductor, analyzing the values of the parameters that can enhance the reduction of the gravitational field.

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

Dechant, Lawrence J.

Wave packet analysis provides a connection between linear small disturbance theory and subsequent nonlinear turbulent spot flow behavior. The traditional association between linear stability analysis and nonlinear wave form is developed via the method of stationary phase whereby asymptotic (simplified) mean flow solutions are used to estimate dispersion behavior and stationary phase approximation are used to invert the associated Fourier transform. The resulting process typically requires nonlinear algebraic equations inversions that can be best performed numerically, which partially mitigates the value of the approximation as compared to a more complete, e.g. DNS or linear/nonlinear adjoint methods. To obtain a simpler,more » closed-form analytical result, the complete packet solution is modeled via approximate amplitude (linear convected kinematic wave initial value problem) and local sinusoidal (wave equation) expressions. Significantly, the initial value for the kinematic wave transport expression follows from a separable variable coefficient approximation to the linearized pressure fluctuation Poisson expression. The resulting amplitude solution, while approximate in nature, nonetheless, appears to mimic many of the global features, e.g. transitional flow intermittency and pressure fluctuation magnitude behavior. A low wave number wave packet models also recover meaningful auto-correlation and low frequency spectral behaviors.« less

Axially deformed solution of the Skyrme-Hartree-Fock-Bogoliubov equations using the transformed harmonic oscillator basis (II) HFBTHO v2.00d: A new version of the program

NASA Astrophysics Data System (ADS)

Stoitsov, M. V.; Schunck, N.; Kortelainen, M.; Michel, N.; Nam, H.; Olsen, E.; Sarich, J.; Wild, S.

2013-06-01

We describe the new version 2.00d of the code HFBTHO that solves the nuclear Skyrme-Hartree-Fock (HF) or Skyrme-Hartree-Fock-Bogoliubov (HFB) problem by using the cylindrical transformed deformed harmonic oscillator basis. In the new version, we have implemented the following features: (i) the modified Broyden method for non-linear problems, (ii) optional breaking of reflection symmetry, (iii) calculation of axial multipole moments, (iv) finite temperature formalism for the HFB method, (v) linear constraint method based on the approximation of the Random Phase Approximation (RPA) matrix for multi-constraint calculations, (vi) blocking of quasi-particles in the Equal Filling Approximation (EFA), (vii) framework for generalized energy density with arbitrary density-dependences, and (viii) shared memory parallelism via OpenMP pragmas. Program summaryProgram title: HFBTHO v2.00d Catalog identifier: ADUI_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADUI_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License version 3 No. of lines in distributed program, including test data, etc.: 167228 No. of bytes in distributed program, including test data, etc.: 2672156 Distribution format: tar.gz Programming language: FORTRAN-95. Computer: Intel Pentium-III, Intel Xeon, AMD-Athlon, AMD-Opteron, Cray XT5, Cray XE6. Operating system: UNIX, LINUX, WindowsXP. RAM: 200 Mwords Word size: 8 bits Classification: 17.22. Does the new version supercede the previous version?: Yes Catalog identifier of previous version: ADUI_v1_0 Journal reference of previous version: Comput. Phys. Comm. 167 (2005) 43 Nature of problem: The solution of self-consistent mean-field equations for weakly-bound paired nuclei requires a correct description of the asymptotic properties of nuclear quasi-particle wave functions. In the present implementation, this is achieved by using the single-particle wave functions of the transformed harmonic oscillator, which allows for an accurate description of deformation effects and pairing correlations in nuclei arbitrarily close to the particle drip lines. Solution method: The program uses the axial Transformed Harmonic Oscillator (THO) single- particle basis to expand quasi-particle wave functions. It iteratively diagonalizes the Hartree-Fock-Bogoliubov Hamiltonian based on generalized Skyrme-like energy densities and zero-range pairing interactions until a self-consistent solution is found. A previous version of the program was presented in: M.V. Stoitsov, J. Dobaczewski, W. Nazarewicz, P. Ring, Comput. Phys. Commun. 167 (2005) 43-63. Reasons for new version: Version 2.00d of HFBTHO provides a number of new options such as the optional breaking of reflection symmetry, the calculation of axial multipole moments, the finite temperature formalism for the HFB method, optimized multi-constraint calculations, the treatment of odd-even and odd-odd nuclei in the blocking approximation, and the framework for generalized energy density with arbitrary density-dependences. It is also the first version of HFBTHO to contain threading capabilities. Summary of revisions: The modified Broyden method has been implemented, Optional breaking of reflection symmetry has been implemented, The calculation of all axial multipole moments up to λ=8 has been implemented, The finite temperature formalism for the HFB method has been implemented, The linear constraint method based on the approximation of the Random Phase Approximation (RPA) matrix for multi-constraint calculations has been implemented, The blocking of quasi-particles in the Equal Filling Approximation (EFA) has been implemented, The framework for generalized energy density functionals with arbitrary density-dependence has been implemented, Shared memory parallelism via OpenMP pragmas has been implemented. Restrictions: Axial- and time-reversal symmetries are assumed. Unusual features: The user must have access to the LAPACK subroutines DSYEVD, DSYTRF and DSYTRI, and their dependences, which compute eigenvalues and eigenfunctions of real symmetric matrices, the LAPACK subroutines DGETRI and DGETRF, which invert arbitrary real matrices, and the BLAS routines DCOPY, DSCAL, DGEMM and DGEMV for double-precision linear algebra (or provide another set of subroutines that can perform such tasks). The BLAS and LAPACK subroutines can be obtained from the Netlib Repository at the University of Tennessee, Knoxville: http://netlib2.cs.utk.edu/. Running time: Highly variable, as it depends on the nucleus, size of the basis, requested accuracy, requested configuration, compiler and libraries, and hardware architecture. An order of magnitude would be a few seconds for ground-state configurations in small bases N≈8-12, to a few minutes in very deformed configuration of a heavy nucleus with a large basis N>20.

Combining global and local approximations

NASA Technical Reports Server (NTRS)

Haftka, Raphael T.

1991-01-01

A method based on a linear approximation to a scaling factor, designated the 'global-local approximation' (GLA) method, is presented and shown capable of extending the range of usefulness of derivative-based approximations to a more refined model. The GLA approach refines the conventional scaling factor by means of a linearly varying, rather than constant, scaling factor. The capabilities of the method are demonstrated for a simple beam example with a crude and more refined FEM model.

A scale-entropy diffusion equation to describe the multi-scale features of turbulent flames near a wall

NASA Astrophysics Data System (ADS)

Queiros-Conde, D.; Foucher, F.; Mounaïm-Rousselle, C.; Kassem, H.; Feidt, M.

2008-12-01

Multi-scale features of turbulent flames near a wall display two kinds of scale-dependent fractal features. In scale-space, an unique fractal dimension cannot be defined and the fractal dimension of the front is scale-dependent. Moreover, when the front approaches the wall, this dependency changes: fractal dimension also depends on the wall-distance. Our aim here is to propose a general geometrical framework that provides the possibility to integrate these two cases, in order to describe the multi-scale structure of turbulent flames interacting with a wall. Based on the scale-entropy quantity, which is simply linked to the roughness of the front, we thus introduce a general scale-entropy diffusion equation. We define the notion of “scale-evolutivity” which characterises the deviation of a multi-scale system from the pure fractal behaviour. The specific case of a constant “scale-evolutivity” over the scale-range is studied. In this case, called “parabolic scaling”, the fractal dimension is a linear function of the logarithm of scale. The case of a constant scale-evolutivity in the wall-distance space implies that the fractal dimension depends linearly on the logarithm of the wall-distance. We then verified experimentally, that parabolic scaling represents a good approximation of the real multi-scale features of turbulent flames near a wall.

Temperature-Dependent Adhesion of Graphene Suspended on a Trench

PubMed Central

2015-01-01

Graphene deposited over a trench has been studied in the context of nanomechanical resonators, where experiments indicate adhesion of the graphene sheet to the trench boundary and sidewalls leads to self-tensioning; however, this adhesion is not well understood. We use molecular dynamics to simulate graphene deposited on a trench and study how adhesion to the sidewalls depends on substrate interaction, temperature, and curvature of the edge of the trench. Over the range of parameters we study, the depth at the center of the sheet is approximately linear in substrate interaction strength and temperature but not trench width, and we explain this using a one-dimensional model for the sheet configuration. PMID:26652939

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.

Capacitive Sensors for Measuring Masses of Cryogenic Fluids

NASA Technical Reports Server (NTRS)

Nurge, Mark; Youngquist, Robert

2003-01-01

An effort is under way to develop capacitive sensors for measuring the masses of cryogenic fluids in tanks. These sensors are intended to function in both microgravitational and normal gravitational settings, and should not be confused with level sensors, including capacitive ones. A sensor of this type is conceptually simple in the sense that (1) it includes only one capacitor and (2) if properly designed, its single capacitance reading should be readily convertible to a close approximation of the mass of the cryogenic fluid in the tank. Consider a pair of electrically insulated electrodes used as a simple capacitive sensor. In general, the capacitance is proportional to the permittivity of the dielectric medium (in this case, a cryogenic fluid) between the electrodes. The success of design and operation of a sensor of the present type depends on the accuracy of the assumption that to a close approximation, the permittivity of the cryogenic fluid varies linearly with the density of the fluid. Data on liquid nitrogen, liquid oxygen, and liquid hydrogen, reported by the National Institute of Standards and Technology, indicate that the permittivities and densities of these fluids are, indeed, linearly related to within a few tenths of a percent over the pressure and temperature regions of interest. Hence, ignoring geometric effects for the moment, the capacitance between two electrodes immersed in the fluid should vary linearly with the density, and, hence, with the mass of the fluid. Of course, it is necessary to take account of the tank geometry. Because most cryogenic tanks do not have uniform cross sections, the readings of level sensors, including capacitive ones, are not linearly correlated with the masses of fluids in the tanks. In a sensor of the present type, the capacitor electrodes are shaped so that at a given height, the capacitance per unit height is approximately proportional to the cross-sectional area of the tank in the horizontal plane at that height (see figure).

Correction for the 17O interference in δ(13C) measurements when analyzing CO2 with stable isotope mass spectrometry

USGS Publications Warehouse

Coplen, Tyler B.; Brand, Willi A.; Assonov, Sergey S.

2010-01-01

Measurements of δ(13C) determined on CO2 with an isotope-ratio mass spectrometer (IRMS) must be corrected for the amount of 17O in the CO2. For data consistency, this must be done using identical methods by different laboratories. This report aims at unifying data treatment for CO2 IRMS by proposing (i) a unified set of numerical values, and (ii) a unified correction algorithm, based on a simple, linear approximation formula. Because the oxygen of natural CO2 is derived mostly from the global water pool, it is recommended that a value of 0.528 be employed for the factor λ, which relates differences in 17O and 18O abundances. With the currently accepted N(13C)/N(12C) of 0.011 180(28) in VPDB (Vienna Peedee belemnite) reevaluation of data yields a value of 0.000 393(1) for the oxygen isotope ratio N(17O)/N(16O) of the evolved CO2. The ratio of these quantities, a ratio of isotope ratios, is essential for the 17O abundance correction: [N(17O)/N(16O)]/[N(13C)/N(12C)] = 0.035 16(8). The equation [δ(13C) ≈ 45δVPDB-CO2 + 2 17R/13R (45δVPDB-CO2 – λ46δVPDB-CO2)] closely approximates δ(13C) values with less than 0.010 ‰ deviation for normal oxygen-bearing materials and no more than 0.026 ‰ in extreme cases. Other materials containing oxygen of non-mass-dependent isotope composition require a more specific data treatment. A similar linear approximation is also suggested for δ(18O). The linear approximations are easy to implement in a data spreadsheet, and also help in generating a simplified uncertainty budget.

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.

An equivalent frequency approach for determining non-linear effects on pre-tensioned-cable cross-braced structures

NASA Astrophysics Data System (ADS)

Giaccu, Gian Felice

2018-05-01

Pre-tensioned cable braces are widely used as bracing systems in various structural typologies. This technology is fundamentally utilized for stiffening purposes in the case of steel and timber structures. The pre-stressing force imparted to the braces provides to the system a remarkable increment of stiffness. On the other hand, the pre-tensioning force in the braces must be properly calibrated in order to satisfactorily meet both serviceability and ultimate limit states. Dynamic properties of these systems are however affected by non-linear behavior due to potential slackening of the pre-tensioned brace. In the recent years the author has been working on a similar problem regarding the non-linear response of cables in cable-stayed bridges and braced structures. In the present paper a displacement-based approach is used to examine the non-linear behavior of a building system. The methodology operates through linearization and allows obtaining an equivalent linearized frequency to approximately characterize, mode by mode, the dynamic behavior of the system. The equivalent frequency depends on both the mechanical characteristics of the system, the pre-tensioning level assigned to the braces and a characteristic vibration amplitude. The proposed approach can be used as a simplified technique, capable of linearizing the response of structural systems, characterized by non-linearity induced by the slackening of pre-tensioned braces.

Excitation energy migration processes in various multi-porphyrin assemblies.

PubMed

Yang, Jaesung; Kim, Dongho

2012-08-13

The electronic interactions and excitation energy transfer (EET) processes of a variety of multi-porphyrin arrays with linear, cyclic and box architectures have been explored. Directly meso-meso linked linear arrays (Z(N)) exhibit strong excitonic coupling with an exciton coherence length of approximately 6 porphyrin units, while fused linear arrays (T(N)) exhibit extensive π-conjugation over the whole array. The excitonic coherence length in directly linked cyclic porphyrin rings (CZ(N)) was determined to be approximately 2.7 porphyrin units by simultaneous analysis of fluorescence intensities and lifetimes at the single-molecule level. By performing transient absorption (TA) and TA anisotropy decay measurements, the EET rates in m-phenylene linked cyclic porphyrin wheels C12ZA and C24ZB were determined to be 4 and 36 ps(-1), respectively. With increasing the size of C(N)ZA, the EET efficiencies decrease owing to the structural distortions that produce considerable non-radiative decay pathways. Finally, the EET rates of self-assembled porphyrin boxes consisting of directly linked diporphyrins, B1A, B2A and B3A, are 48, 98 and 361 ps(-1), respectively. The EET rates of porphyrin boxes consisting of alkynylene-bridged diporphyrins, B2B and B4B, depend on the conformation of building blocks (planar or orthogonal) rather than the length of alkynylene linkers.

Meshless Method with Operator Splitting Technique for Transient Nonlinear Bioheat Transfer in Two-Dimensional Skin Tissues

PubMed Central

Zhang, Ze-Wei; Wang, Hui; Qin, Qing-Hua

2015-01-01

A meshless numerical scheme combining the operator splitting method (OSM), the radial basis function (RBF) interpolation, and the method of fundamental solutions (MFS) is developed for solving transient nonlinear bioheat problems in two-dimensional (2D) skin tissues. In the numerical scheme, the nonlinearity caused by linear and exponential relationships of temperature-dependent blood perfusion rate (TDBPR) is taken into consideration. In the analysis, the OSM is used first to separate the Laplacian operator and the nonlinear source term, and then the second-order time-stepping schemes are employed for approximating two splitting operators to convert the original governing equation into a linear nonhomogeneous Helmholtz-type governing equation (NHGE) at each time step. Subsequently, the RBF interpolation and the MFS involving the fundamental solution of the Laplace equation are respectively employed to obtain approximated particular and homogeneous solutions of the nonhomogeneous Helmholtz-type governing equation. Finally, the full fields consisting of the particular and homogeneous solutions are enforced to fit the NHGE at interpolation points and the boundary conditions at boundary collocations for determining unknowns at each time step. The proposed method is verified by comparison of other methods. Furthermore, the sensitivity of the coefficients in the cases of a linear and an exponential relationship of TDBPR is investigated to reveal their bioheat effect on the skin tissue. PMID:25603180

Meshless method with operator splitting technique for transient nonlinear bioheat transfer in two-dimensional skin tissues.

PubMed

Zhang, Ze-Wei; Wang, Hui; Qin, Qing-Hua

2015-01-16

A meshless numerical scheme combining the operator splitting method (OSM), the radial basis function (RBF) interpolation, and the method of fundamental solutions (MFS) is developed for solving transient nonlinear bioheat problems in two-dimensional (2D) skin tissues. In the numerical scheme, the nonlinearity caused by linear and exponential relationships of temperature-dependent blood perfusion rate (TDBPR) is taken into consideration. In the analysis, the OSM is used first to separate the Laplacian operator and the nonlinear source term, and then the second-order time-stepping schemes are employed for approximating two splitting operators to convert the original governing equation into a linear nonhomogeneous Helmholtz-type governing equation (NHGE) at each time step. Subsequently, the RBF interpolation and the MFS involving the fundamental solution of the Laplace equation are respectively employed to obtain approximated particular and homogeneous solutions of the nonhomogeneous Helmholtz-type governing equation. Finally, the full fields consisting of the particular and homogeneous solutions are enforced to fit the NHGE at interpolation points and the boundary conditions at boundary collocations for determining unknowns at each time step. The proposed method is verified by comparison of other methods. Furthermore, the sensitivity of the coefficients in the cases of a linear and an exponential relationship of TDBPR is investigated to reveal their bioheat effect on the skin tissue.

Comparison of dynamical approximation schemes for nonlinear gravitaional clustering

NASA Technical Reports Server (NTRS)

Melott, Adrian L.

1994-01-01

We have recently conducted a controlled comparison of a number of approximations for gravitational clustering against the same n-body simulations. These include ordinary linear perturbation theory (Eulerian), the lognormal approximation, the adhesion approximation, the frozen-flow approximation, the Zel'dovich approximation (describable as first-order Lagrangian perturbation theory), and its second-order generalization. In the last two cases we also created new versions of the approximation by truncation, i.e., by smoothing the initial conditions with various smoothing window shapes and varying their sizes. The primary tool for comparing simulations to approximation schemes was cross-correlation of the evolved mass density fields, testing the extent to which mass was moved to the right place. The Zel'dovich approximation, with initial convolution with a Gaussian e(exp -k(exp 2)/k(sub G(exp 2)), where k(sub G) is adjusted to be just into the nonlinear regime of the evolved model (details in text) worked extremely well. Its second-order generalization worked slightly better. We recommend either n-body simulations or our modified versions of the Zel'dovich approximation, depending upon the purpose. The theoretical implication is that pancaking is implicit in all cosmological gravitational clustering, at least from Gaussian initial conditions, even when subcondensations are present. This in turn provides a natural explanation for the presence of sheets and filaments in the observed galaxy distribution. Use of the approximation scheme can permit extremely rapid generation of large numbers of realizations of model universes with good accuracy down to galaxy group mass scales.

Influence of Heart Rate in Non-linear HRV Indices as a Sampling Rate Effect Evaluated on Supine and Standing.

PubMed

Bolea, Juan; Pueyo, Esther; Orini, Michele; Bailón, Raquel

2016-01-01

The purpose of this study is to characterize and attenuate the influence of mean heart rate (HR) on nonlinear heart rate variability (HRV) indices (correlation dimension, sample, and approximate entropy) as a consequence of being the HR the intrinsic sampling rate of HRV signal. This influence can notably alter nonlinear HRV indices and lead to biased information regarding autonomic nervous system (ANS) modulation. First, a simulation study was carried out to characterize the dependence of nonlinear HRV indices on HR assuming similar ANS modulation. Second, two HR-correction approaches were proposed: one based on regression formulas and another one based on interpolating RR time series. Finally, standard and HR-corrected HRV indices were studied in a body position change database. The simulation study showed the HR-dependence of non-linear indices as a sampling rate effect, as well as the ability of the proposed HR-corrections to attenuate mean HR influence. Analysis in a body position changes database shows that correlation dimension was reduced around 21% in median values in standing with respect to supine position ( p < 0.05), concomitant with a 28% increase in mean HR ( p < 0.05). After HR-correction, correlation dimension decreased around 18% in standing with respect to supine position, being the decrease still significant. Sample and approximate entropy showed similar trends. HR-corrected nonlinear HRV indices could represent an improvement in their applicability as markers of ANS modulation when mean HR changes.

Linear response and correlation of a self-propelled particle in the presence of external fields

NASA Astrophysics Data System (ADS)

Caprini, Lorenzo; Marini Bettolo Marconi, Umberto; Vulpiani, Angelo

2018-03-01

We study the non-equilibrium properties of non interacting active Ornstein-Uhlenbeck particles (AOUP) subject to an external nonuniform field using a Fokker-Planck approach with a focus on the linear response and time-correlation functions. In particular, we compare different methods to compute these functions including the unified colored noise approximation (UCNA). The AOUP model, described by the position of the particle and the active force acting on it, is usually mapped into a Markovian process, describing the motion of a fictitious passive particle in terms of its position and velocity, where the effect of the activity is transferred into a position-dependent friction. We show that the form of the response function of the AOUP depends on whether we put the perturbation on the position and keep unperturbed the active force in the original variables or perturb the position and maintain unperturbed the velocity in the transformed variables. Indeed, as a result of the change of variables the perturbation on the position becomes a perturbation both on the position and on the fictitious velocity. We test these predictions by considering the response for three types of convex potentials: quadratic, quartic and double-well potential. Moreover, by comparing the response of the AOUP model with the corresponding response of the UCNA model we conclude that although the stationary properties are fairly well approximated by the UCNA, the non equilibrium properties are not, an effect which is not negligible when the persistence time is large.

Peculiarities of stochastic regime of Arctic ice cover time evolution over 1987-2014 from microwave satellite sounding on the basis of NASA team 2 algorithm

NASA Astrophysics Data System (ADS)

Raev, M. D.; Sharkov, E. A.; Tikhonov, V. V.; Repina, I. A.; Komarova, N. Yu.

2015-12-01

The GLOBAL-RT database (DB) is composed of long-term radio heat multichannel observation data received from DMSP F08-F17 satellites; it is permanently supplemented with new data on the Earth's exploration from the space department of the Space Research Institute, Russian Academy of Sciences. Arctic ice-cover areas for regions higher than 60° N latitude were calculated using the DB polar version and NASA Team 2 algorithm, which is widely used in foreign scientific literature. According to the analysis of variability of Arctic ice cover during 1987-2014, 2 months were selected when the Arctic ice cover was maximal (February) and minimal (September), and the average ice cover area was calculated for these months. Confidence intervals of the average values are in the 95-98% limits. Several approximations are derived for the time dependences of the ice-cover maximum and minimum over the period under study. Regression dependences were calculated for polynomials from the first degree (linear) to sextic. It was ascertained that the minimal root-mean-square error of deviation from the approximated curve sharply decreased for the biquadratic polynomial and then varied insignificantly: from 0.5593 for the polynomial of third degree to 0.4560 for the biquadratic polynomial. Hence, the commonly used strictly linear regression with a negative time gradient for the September Arctic ice cover minimum over 30 years should be considered incorrect.

Modeling the reversible kinetics of neutrophil aggregation under hydrodynamic shear.

PubMed Central

Neelamegham, S; Taylor, A D; Hellums, J D; Dembo, M; Smith, C W; Simon, S I

1997-01-01

Neutrophil emigration into inflamed tissue is mediated by beta 2-integrin and L-selectin adhesion receptors. Homotypic neutrophil aggregation is also dependent on these molecules, and it provides a model system in which to study adhesion dynamics. In the current study we formulated a mathematical model for cellular aggregation in a linear shear field based on Smoluchowski's two-body collision theory. Neutrophil suspensions activated with chemotactic stimulus and sheared in a cone-plate viscometer rapidly aggregate. Over a range of shear rates (400-800 s-1), approximately 90% of the single cells were recruited into aggregates ranging from doublets to groupings larger than sextuplets. The adhesion efficiency fit to these kinetics reached maximum levels of > 70%. Formed aggregates remained intact and resistant to shear up to 120 s, at which time they spontaneously dissociated back to singlets. The rate of cell disaggregation was linearly proportional to the applied shear rate, and it was approximately 60% lower for doublets as compared to larger aggregates. By accounting for the time-dependent changes in adhesion efficiency, disaggregation rate, and the effects of aggregate geometry, we succeeded in predicting the reversible kinetics of aggregation over a wide range of shear rates and cell concentrations. The combination of viscometry with flow cytometry and mathematical analysis as presented here represents a novel approach to differentiating between the effects of hydrodynamics and the intrinsic biological processes that control cell adhesion. Images FIGURE 3 FIGURE 5 PMID:9083659

The performance of a reduced-order adaptive controller when used in multi-antenna hyperthermia treatments with nonlinear temperature-dependent perfusion.

PubMed

Cheng, Kung-Shan; Yuan, Yu; Li, Zhen; Stauffer, Paul R; Maccarini, Paolo; Joines, William T; Dewhirst, Mark W; Das, Shiva K

2009-04-07

In large multi-antenna systems, adaptive controllers can aid in steering the heat focus toward the tumor. However, the large number of sources can greatly increase the steering time. Additionally, controller performance can be degraded due to changes in tissue perfusion which vary non-linearly with temperature, as well as with time and spatial position. The current work investigates whether a reduced-order controller with the assumption of piecewise constant perfusion is robust to temperature-dependent perfusion and achieves steering in a shorter time than required by a full-order controller. The reduced-order controller assumes that the optimal heating setting lies in a subspace spanned by the best heating vectors (virtual sources) of an initial, approximate, patient model. An initial, approximate, reduced-order model is iteratively updated by the controller, using feedback thermal images, until convergence of the heat focus to the tumor. Numerical tests were conducted in a patient model with a right lower leg sarcoma, heated in a 10-antenna cylindrical mini-annual phased array applicator operating at 150 MHz. A half-Gaussian model was used to simulate temperature-dependent perfusion. Simulated magnetic resonance temperature images were used as feedback at each iteration step. Robustness was validated for the controller, starting from four approximate initial models: (1) a 'standard' constant perfusion lower leg model ('standard' implies a model that exactly models the patient with the exception that perfusion is considered constant, i.e., not temperature dependent), (2) a model with electrical and thermal tissue properties varied from 50% higher to 50% lower than the standard model, (3) a simplified constant perfusion pure-muscle lower leg model with +/-50% deviated properties and (4) a standard model with the tumor position in the leg shifted by 1.5 cm. Convergence to the desired focus of heating in the tumor was achieved for all four simulated models. The controller accomplished satisfactory therapeutic outcomes: approximately 80% of the tumor was heated to temperatures 43 degrees C and approximately 93% was maintained at temperatures <41 degrees C. Compared to the controller without model reduction, a approximately 9-25 fold reduction in convergence time was accomplished using approximately 2-3 orthonormal virtual sources. In the situations tested, the controller was robust to the presence of temperature-dependent perfusion. The results of this work can help to lay the foundation for real-time thermal control of multi-antenna hyperthermia systems in clinical situations where perfusion can change rapidly with temperature.

Evaluation of fiber Bragg grating sensor interrogation using InGaAs linear detector arrays and Gaussian approximation on embedded hardware.

PubMed

Kumar, Saurabh; Amrutur, Bharadwaj; Asokan, Sundarrajan

2018-02-01

Fiber Bragg Grating (FBG) sensors have become popular for applications related to structural health monitoring, biomedical engineering, and robotics. However, for successful large scale adoption, FBG interrogation systems are as important as sensor characteristics. Apart from accuracy, the required number of FBG sensors per fiber and the distance between the device in which the sensors are used and the interrogation system also influence the selection of the interrogation technique. For several measurement devices developed for applications in biomedical engineering and robotics, only a few sensors per fiber are required and the device is close to the interrogation system. For these applications, interrogation systems based on InGaAs linear detector arrays provide a good choice. However, their resolution is dependent on the algorithms used for curve fitting. In this work, a detailed analysis of the choice of algorithm using the Gaussian approximation for the FBG spectrum and the number of pixels used for curve fitting on the errors is provided. The points where the maximum errors occur have been identified. All comparisons for wavelength shift detection have been made against another interrogation system based on the tunable swept laser. It has been shown that maximum errors occur when the wavelength shift is such that one new pixel is included for curve fitting. It has also been shown that an algorithm with lower computation cost compared to the more popular methods using iterative non-linear least squares estimation can be used without leading to the loss of accuracy. The algorithm has been implemented on embedded hardware, and a speed-up of approximately six times has been observed.

Evaluation of fiber Bragg grating sensor interrogation using InGaAs linear detector arrays and Gaussian approximation on embedded hardware

NASA Astrophysics Data System (ADS)

Kumar, Saurabh; Amrutur, Bharadwaj; Asokan, Sundarrajan

2018-02-01

Fiber Bragg Grating (FBG) sensors have become popular for applications related to structural health monitoring, biomedical engineering, and robotics. However, for successful large scale adoption, FBG interrogation systems are as important as sensor characteristics. Apart from accuracy, the required number of FBG sensors per fiber and the distance between the device in which the sensors are used and the interrogation system also influence the selection of the interrogation technique. For several measurement devices developed for applications in biomedical engineering and robotics, only a few sensors per fiber are required and the device is close to the interrogation system. For these applications, interrogation systems based on InGaAs linear detector arrays provide a good choice. However, their resolution is dependent on the algorithms used for curve fitting. In this work, a detailed analysis of the choice of algorithm using the Gaussian approximation for the FBG spectrum and the number of pixels used for curve fitting on the errors is provided. The points where the maximum errors occur have been identified. All comparisons for wavelength shift detection have been made against another interrogation system based on the tunable swept laser. It has been shown that maximum errors occur when the wavelength shift is such that one new pixel is included for curve fitting. It has also been shown that an algorithm with lower computation cost compared to the more popular methods using iterative non-linear least squares estimation can be used without leading to the loss of accuracy. The algorithm has been implemented on embedded hardware, and a speed-up of approximately six times has been observed.

Sound velocity and absorption in a coarsening foam.

PubMed

Mujica, Nicolás; Fauve, Stéphan

2002-08-01

We present experimental measurements of sound velocity and absorption in a commercial shaving foam. We observe that both quantities evolve with time as the foam coarsens increasing its mean bubble radius . By varying the acoustic frequency we probe the foam from the large wavelength regime, lambda approximately 1500, down to the scale lambda approximately 20. Sound absorption alpha varies significantly with both the foam age and the excitation frequency. After an initial transition time of 20 min, the attenuation per wavelength, alphalambda, varies linearly with the foam age. In addition, for evolution times smaller than approximately 90 min, we observe that alphalambda scales linearly with both foam age and frequency. From these scalings we show that the thermal dissipation mechanism is the dominant one. Sound velocity c is initially frequency independent but the medium becomes slightly dispersive as the foam coarsens. We observe that sound velocity depends on the evolution of the structure of the foam, even in the large wavelength regime. After 2 h of foam coarsening, c decreases at least by a factor of 20%, due to the softening of the foam. These facts are explained by considering the liquid matrix elasticity, due to the presence of surfactant molecules. A simple model of foam structure, combined with results of Biot's theory for porous media, gives both good qualitative and quantitative agreement with our experimental results in the low frequency regime.

Agarose and Polyacrylamide Gel Electrophoresis Methods for Molecular Mass Analysis of 5–500 kDa Hyaluronan

PubMed Central

Bhilocha, Shardul; Amin, Ripal; Pandya, Monika; Yuan, Han; Tank, Mihir; LoBello, Jaclyn; Shytuhina, Anastasia; Wang, Wenlan; Wisniewski, Hans-Georg; de la Motte, Carol; Cowman, Mary K.

2011-01-01

Agarose and polyacrylamide gel electrophoresis systems for the molecular mass-dependent separation of hyaluronan (HA) in the size range of approximately 5–500 kDa have been investigated. For agarose-based systems, the suitability of different agarose types, agarose concentrations, and buffers systems were determined. Using chemoenzymatically synthesized HA standards of low polydispersity, the molecular mass range was determined for each gel composition, over which the relationship between HA mobility and logarithm of the molecular mass was linear. Excellent linear calibration was obtained for HA molecular mass as low as approximately 9 kDa in agarose gels. For higher resolution separation, and for extension to molecular masses as low as approximately 5 kDa, gradient polyacrylamide gels were superior. Densitometric scanning of stained gels allowed analysis of the range of molecular masses present in a sample, and calculation of weight-average and number-average values. The methods were validated for polydisperse HA samples with viscosity-average molecular masses of 112, 59, 37, and 22 kDa, at sample loads of 0.5 µg (for polyacrylamide) to 2.5 µg (for agarose). Use of the methods for electrophoretic mobility shift assays was demonstrated for binding of the HA-binding region of aggrecan (recombinant human aggrecan G1-IGD-G2 domains) to a 150 kDa HA standard. PMID:21684248

Assessment of selenium bioavailability from naturally produced high-selenium soy foods in selenium-deficient rats.

PubMed

Yan, Lin; Reeves, Philip G; Johnson, LuAnn K

2010-10-01

We assessed the bioavailability of selenium (Se) from a protein isolate and tofu (bean curd) prepared from naturally produced high-Se soybeans. The Se concentrations of the soybeans, the protein isolate and tofu were 5.2±0.2, 11.4±0.1 and 7.4±0.1mg/kg, respectively. Male weanling Sprague-Dawley rats were depleted of Se by feeding them a 30% Torula yeast-based diet (4.1μg Se/kg) for 56 days, and then they were replenished with Se for an additional 50 days by feeding them the same diet containing 14, 24 or 30 μg Se/kg from the protein isolate or 13, 23 or 31 μg Se/kg from tofu, respectively. l-Selenomethionine (SeMet) was used as a reference. Selenium bioavailability was determined on the basis of the restoration of Se-dependent enzyme activities and tissue Se concentrations in Se-depleted rats, comparing those responses for the protein isolate and tofu to those for SeMet by using a slope-ratio method. Dietary supplementation with the protein isolate or tofu resulted in linear or log-linear, dose-dependent increases in glutathione peroxidase activities in blood and liver and in thioredoxin reductase activity in liver. Furthermore, supplementation with the protein isolate or tofu resulted in linear or log-linear, dose-dependent increases in the Se concentrations of plasma, liver, muscle and kidneys. These results indicated an overall bioavailability of approximately 101% for Se from the protein isolate and 94% from tofu, relative to SeMet. We conclude that Se from naturally produced high-Se soybeans is highly bioavailable in this model and that high-Se soybeans may be a good dietary source of Se. Published by Elsevier GmbH.

A way around the Nyquist lag

NASA Astrophysics Data System (ADS)

Penland, C.

2017-12-01

One way to test for the linearity of a multivariate system is to perform Linear Inverse Modeling (LIM) to a multivariate time series. LIM yields an estimated operator by combining a lagged covariance matrix with the contemporaneous covariance matrix. If the underlying dynamics is linear, the resulting dynamical description should not depend on the particular lag at which the lagged covariance matrix is estimated. This test is known as the "tau test." The tau test will be severely compromised if the lag at which the analysis is performed is approximately half the period of an internal oscillation frequency. In this case, the tau test will fail even though the dynamics are actually linear. Thus, until now, the tau test has only been possible for lags smaller than this "Nyquist lag." In this poster, we investigate the use of Hilbert transforms as a way to avoid the problems associated with Nyquist lags. By augmenting the data with dimensions orthogonal to those spanning the original system, information that would be inaccessible to LIM in its original form may be sampled.

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

Dynamical heterogeneities and mechanical non-linearities: Modeling the onset of plasticity in polymer in the glass transition.

PubMed

Masurel, R J; Gelineau, P; Lequeux, F; Cantournet, S; Montes, H

2017-12-27

In this paper we focus on the role of dynamical heterogeneities on the non-linear response of polymers in the glass transition domain. We start from a simple coarse-grained model that assumes a random distribution of the initial local relaxation times and that quantitatively describes the linear viscoelasticity of a polymer in the glass transition regime. We extend this model to non-linear mechanics assuming a local Eyring stress dependence of the relaxation times. Implementing the model in a finite element mechanics code, we derive the mechanical properties and the local mechanical fields at the beginning of the non-linear regime. The model predicts a narrowing of distribution of relaxation times and the storage of a part of the mechanical energy --internal stress-- transferred to the material during stretching in this temperature range. We show that the stress field is not spatially correlated under and after loading and follows a Gaussian distribution. In addition the strain field exhibits shear bands, but the strain distribution is narrow. Hence, most of the mechanical quantities can be calculated analytically, in a very good approximation, with the simple assumption that the strain rate is constant.

Relativistic Ionization with Intense Linearly Polarized Light

NASA Astrophysics Data System (ADS)

Crawford, Douglas Plummer

The Strong Field Approximation (SFA) method is used to derive relativistic ionization rate expressions for ground state hydrogen-like atoms in the presence of an intense electromagnetic field. The emitted particle, which is initially bound to a hydrogen nucleus, is either an electron described by the Dirac equation, with spin effects fully included, or a spinless "electron" described by the Klein-Gordon equation. The derivations and subsequent calculations for both particles are made assuming a linearly polarized electromagnetic field which is monochromatic and which exhibits neither diffraction nor temporal dependence. From each of the relativistic ionization rate expressions, the corresponding expression in the nonrelativistic limit is derived. The resultant expressions are found to be equivalent to those derived using the SFA with the nonrelativistic formalism. This comparison provides the first check of the validity for the core results of this dissertation. Intensity-dependent ionization rates are then calculated for two ultraviolet frequencies using a numerical implementation of the derived expressions. Calculations of ionization rates and related phenomena demonstrate that there are negligible differences between relativistic and nonrelativistic predictions for low intensities. In addition, the differences in behavior between linearly and circularly polarized ionizing fields and between particles with and without spin are explored. The spin comparisons provide additional confidence in the derivations by showing negligible differences between ionization rates for Dirac and Klein -Gordon particles in strong linearly-polarized fields. Also of interest are the differential transition rates which exhibit dynamic profiles as the intensity is increased. This behavior is interpreted as an indication of more atomic influence for linearly polarized electromagnetic (em) fields than for circularly polarized em fields.

Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree-Fock.

PubMed

Hesselmann, Andreas; Görling, Andreas

2011-01-21

A recently introduced time-dependent exact-exchange (TDEXX) method, i.e., a response method based on time-dependent density-functional theory that treats the frequency-dependent exchange kernel exactly, is reformulated. In the reformulated version of the TDEXX method electronic excitation energies can be calculated by solving a linear generalized eigenvalue problem while in the original version of the TDEXX method a laborious frequency iteration is required in the calculation of each excitation energy. The lowest eigenvalues of the new TDEXX eigenvalue equation corresponding to the lowest excitation energies can be efficiently obtained by, e.g., a version of the Davidson algorithm appropriate for generalized eigenvalue problems. Alternatively, with the help of a series expansion of the new TDEXX eigenvalue equation, standard eigensolvers for large regular eigenvalue problems, e.g., the standard Davidson algorithm, can be used to efficiently calculate the lowest excitation energies. With the help of the series expansion as well, the relation between the TDEXX method and time-dependent Hartree-Fock is analyzed. Several ways to take into account correlation in addition to the exact treatment of exchange in the TDEXX method are discussed, e.g., a scaling of the Kohn-Sham eigenvalues, the inclusion of (semi)local approximate correlation potentials, or hybrids of the exact-exchange kernel with kernels within the adiabatic local density approximation. The lowest lying excitations of the molecules ethylene, acetaldehyde, and pyridine are considered as examples.

Polynomial compensation, inversion, and approximation of discrete time linear systems

NASA Technical Reports Server (NTRS)

Baram, Yoram

1987-01-01

The least-squares transformation of a discrete-time multivariable linear system into a desired one by convolving the first with a polynomial system yields optimal polynomial solutions to the problems of system compensation, inversion, and approximation. The polynomial coefficients are obtained from the solution to a so-called normal linear matrix equation, whose coefficients are shown to be the weighting patterns of certain linear systems. These, in turn, can be used in the recursive solution of the normal equation.

Effects of axial magnetic field on the electronic and optical properties of boron nitride nanotube

NASA Astrophysics Data System (ADS)

Chegel, Raad; Behzad, Somayeh

2011-07-01

The splitting of band structure and absorption spectrum, for boron nitride nanotubes (BNNTs) under axial magnetic field, is studied using the tight binding approximation. It is found that the band splitting ( ΔE) at the Γ point is linearly proportional to the magnetic field ( Φ/Φ0). Our results indicate that the splitting rate νii, of the two first bands nearest to the Fermi level, is a linear function of n -2 for all (n,0) zigzag BNNTs. By investigation of the dependence of band structure and absorption spectrum to the magnetic field, we found that absorption splitting is equal to band splitting and the splitting rate of band structure can be used to determine the splitting rate of the absorption spectrum.

ParaExp Using Leapfrog as Integrator for High-Frequency Electromagnetic Simulations

NASA Astrophysics Data System (ADS)

Merkel, M.; Niyonzima, I.; Schöps, S.

2017-12-01

Recently, ParaExp was proposed for the time integration of linear hyperbolic problems. It splits the time interval of interest into subintervals and computes the solution on each subinterval in parallel. The overall solution is decomposed into a particular solution defined on each subinterval with zero initial conditions and a homogeneous solution propagated by the matrix exponential applied to the initial conditions. The efficiency of the method depends on fast approximations of this matrix exponential based on recent results from numerical linear algebra. This paper deals with the application of ParaExp in combination with Leapfrog to electromagnetic wave problems in time domain. Numerical tests are carried out for a simple toy problem and a realistic spiral inductor model discretized by the Finite Integration Technique.

Linear Approximation to Optimal Control Allocation for Rocket Nozzles with Elliptical Constraints

NASA Technical Reports Server (NTRS)

Orr, Jeb S.; Wall, Johnm W.

2011-01-01

In this paper we present a straightforward technique for assessing and realizing the maximum control moment effectiveness for a launch vehicle with multiple constrained rocket nozzles, where elliptical deflection limits in gimbal axes are expressed as an ensemble of independent quadratic constraints. A direct method of determining an approximating ellipsoid that inscribes the set of attainable angular accelerations is derived. In the case of a parameterized linear generalized inverse, the geometry of the attainable set is computationally expensive to obtain but can be approximated to a high degree of accuracy with the proposed method. A linear inverse can then be optimized to maximize the volume of the true attainable set by maximizing the volume of the approximating ellipsoid. The use of a linear inverse does not preclude the use of linear methods for stability analysis and control design, preferred in practice for assessing the stability characteristics of the inertial and servoelastic coupling appearing in large boosters. The present techniques are demonstrated via application to the control allocation scheme for a concept heavy-lift launch vehicle.

Temperature-Dependent, Linearly Interpolable, Tabulated Cross Section Library Based on ENDF/B-VI, Release 8.

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

CULLEN, D. E.

2005-02-21

Version 00 As distributed, the original evaluated data include cross sections represented in the form of a combination of resonance parameters and/or tabulated energy dependent cross sections, nominally at 0 Kelvin temperature. For use in applications this library has been processed into the form of temperature dependent cross sections at eight neutron reactor like temperatures, between 0 and 2100 Kelvin, in steps of 300 Kelvin. It has also been processed to five astrophysics like temperatures, 1, 10, 100 eV, 1 and 10 keV. For reference purposes, 300 Kelvin is approximately 1/40 eV, so that 1 eV is approximately 12,000 Kelvin.more » At each temperature the cross sections are tabulated and linearly interpolable in energy. POINT2004 contains all of the evaluations in the ENDF/B-VI general purpose library, which contains evaluations for 328 materials (isotopes or naturally occurring elemental mixtures of isotopes). No special purpose ENDF/B-VI libraries, such as fission products, thermal scattering, or photon interaction data are included. The majority of these evaluations are complete, in the sense that they include all cross sections over the energy range 10-5 eV to at least 20 MeV. However, the following are only partial evaluations that either contain only single reactions and no total cross section (Mg24, K41, Ti46, Ti47, Ti48, Ti50 and Ni59), or do not include energy dependent cross sections above the resonance region (Ar40, Mo92, Mo98, Mo100, In115, Sn120, Sn122 and Sn124). The CCC-638/TART20002 code package is recommended for use with these data. Codes within TART can be used to display these data or to run calculations using these data.« less

Resistance thermometer has linear resistance-temperature coefficient at low temperatures

NASA Technical Reports Server (NTRS)

Kuzyk, W.

1966-01-01

Resistance thermometer incorporating a germanium resistance element with a platinum resistance element in a wheatstone bridge circuit has a linear temperature-resistance coefficient over a range from approximately minus 140 deg C to approximately minus 253 deg C.

The concentration of the mitochondrial pyruvate carrier in rat liver and heart mitochondria determined with alpha-cyano-beta-(1-phenylindol-3-yl)acrylate.

PubMed Central

Shearman, M S; Halestrap, A P

1984-01-01

alpha-Cyano-beta-(1-phenylindol-3-yl)acrylate inhibited pyruvate transport into both liver and heart mitochondria approximately linearly with respect to its concentration until 65% inhibition was achieved. The extent of inhibition was dependent on the mitochondrial protein concentration. By extrapolation of plots of inhibition versus inhibitor concentration to total inhibition, or by mathematical analysis of the plots, the concentration of pyruvate transporter molecules per mg of protein was calculated to be approximately 100 pmol/mg for both heart and liver mitochondria, and the Ki about 7 nM. The data also suggest that pyruvate transport is rate-limiting for pyruvate oxidation by heart mitochondria in State 3, but not by liver mitochondria. PMID:6508736

Comparisons of characteristic timescales and approximate models for Brownian magnetic nanoparticle rotations

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

Reeves, Daniel B., E-mail: dbr@Dartmouth.edu; Weaver, John B.

2015-06-21

Magnetic nanoparticles are promising tools for a host of therapeutic and diagnostic medical applications. The dynamics of rotating magnetic nanoparticles in applied magnetic fields depend strongly on the type and strength of the field applied. There are two possible rotation mechanisms and the decision for the dominant mechanism is often made by comparing the equilibrium relaxation times. This is a problem when particles are driven with high-amplitude fields because they are not necessarily at equilibrium at all. Instead, it is more appropriate to consider the “characteristic timescales” that arise in various applied fields. Approximate forms for the characteristic time ofmore » Brownian particle rotations do exist and we show agreement between several analytical and phenomenological-fit models to simulated data from a stochastic Langevin equation approach. We also compare several approximate models with solutions of the Fokker-Planck equation to determine their range of validity for general fields and relaxation times. The effective field model is an excellent approximation, while the linear response solution is only useful for very low fields and frequencies for realistic Brownian particle rotations.« less

Continuum calculations of continental deformation in transcurrent environments

NASA Technical Reports Server (NTRS)

Sonder, L. J.; England, P. C.; Houseman, G. A.

1986-01-01

A thin viscous sheet approximation is used to investigate continental deformation near a strike-slip boundary. The vertically averaged velocity field is calculated for a medium characterized by a power law rheology with stress exponent n. Driving stresses include those applied along boundaries of the sheet and those arising from buoyancy forces related to lateral differences in crustal thickness. Exact and approximate analytic solutions for a region with a sinusoidal strike-slip boundary condition are compared with solutions for more geologically relevant boundary conditions obtained using a finite element technique. The across-strike length scale of the deformation is approximately 1/4pi x sq rt n times the dominant wavelength of the imposed strike-slip boundary condition for both the analytic and the numerical solutions; this result is consistent with length scales observed in continental regions of large-scale transcurrent faulting. An approximate, linear relationship between displacement and rotation is found that depends only on the deformation length scale and the rheology. Calculated displacements, finite rotations, and distribution of crustal thicknesses are consistent with those observed in the region of the Pacific-North America plate boundary in California.

Motor-substrate interactions in mycoplasma motility explains non-Arrhenius temperature dependence.

PubMed

Chen, Jing; Neu, John; Miyata, Makoto; Oster, George

2009-12-02

Mycoplasmas exhibit a novel, substrate-dependent gliding motility that is driven by approximately 400 "leg" proteins. The legs interact with the substrate and transmit the forces generated by an assembly of ATPase motors. The velocity of the cell increases linearly by nearly 10-fold over a narrow temperature range of 10-40 degrees C. This corresponds to an Arrhenius factor that decreases from approximately 45 k(B)T at 10 degrees C to approximately 10 k(B)T at 40 degrees C. On the other hand, load-velocity curves at different temperatures extrapolate to nearly the same stall force, suggesting a temperature-insensitive force-generation mechanism near stall. In this article, we propose a leg-substrate interaction mechanism that explains the intriguing temperature sensitivity of this motility. The large Arrhenius factor at low temperature comes about from the addition of many smaller energy barriers arising from many substrate-binding sites at the distal end of the leg protein. The Arrhenius dependence attenuates at high temperature due to two factors: 1), the reduced effective multiplicity of energy barriers intrinsic to the multiple-site binding mechanism; and 2), the temperature-sensitive weakly facilitated leg release that curtails the power stroke. The model suggests an explanation for the similar steep, sub-Arrhenius temperature-velocity curves observed in many molecular motors, such as kinesin and myosin, wherein the temperature behavior is dominated not by the catalytic biochemistry, but by the motor-substrate interaction.

Optical control of spin-dependent thermal transport in a quantum ring

NASA Astrophysics Data System (ADS)

Abdullah, Nzar Rauf

2018-05-01

We report on calculation of spin-dependent thermal transport through a quantum ring with the Rashba spin-orbit interaction. The quantum ring is connected to two electron reservoirs with different temperatures. Tuning the Rashba coupling constant, degenerate energy states are formed leading to a suppression of the heat and thermoelectric currents. In addition, the quantum ring is coupled to a photon cavity with a single photon mode and linearly polarized photon field. In a resonance regime, when the photon energy is approximately equal to the energy spacing between two lowest degenerate states of the ring, the polarized photon field can significantly control the heat and thermoelectric currents in the system. The roles of the number of photon initially in the cavity, and electron-photon coupling strength on spin-dependent heat and thermoelectric currents are presented.

On the similarity of theories of anelastic and scattering attenuation

USGS Publications Warehouse

Wennerberg, Leif; Frankel, Arthur D.

1989-01-01

We point out basic parallels between theories of anelastic and scattering attenuation. We consider approximations to scattering effects presented by O'Doherty and Anstey (1971), Sato (1982), and Wu (1982). We use the linear theory of anelasticity. We note that the frequency dependence of Q can be related to a distribution of scales of physical properties of the medium. The frequency dependence of anelastic Q is related to the distribution of relaxation times in exactly the same manner as the frequency dependence of scattering Q is related to the distribution of scatterer sizes. Thus, the well-known difficulty of separating scattering from intrinsic attenuation is seen from this point of view as a consequence of the fact that certain observables can be interpreted by identical equations resulting from either of two credible physical theories describing fundamentally different processes. -from Authors

Fourth-order convergence of a compact scheme for the one-dimensional biharmonic equation

NASA Astrophysics Data System (ADS)

Fishelov, D.; Ben-Artzi, M.; Croisille, J.-P.

2012-09-01

The convergence of a fourth-order compact scheme to the one-dimensional biharmonic problem is established in the case of general Dirichlet boundary conditions. The compact scheme invokes value of the unknown function as well as Pade approximations of its first-order derivative. Using the Pade approximation allows us to approximate the first-order derivative within fourth-order accuracy. However, although the truncation error of the discrete biharmonic scheme is of fourth-order at interior point, the truncation error drops to first-order at near-boundary points. Nonetheless, we prove that the scheme retains its fourth-order (optimal) accuracy. This is done by a careful inspection of the matrix elements of the discrete biharmonic operator. A number of numerical examples corroborate this effect. We also present a study of the eigenvalue problem uxxxx = νu. We compute and display the eigenvalues and the eigenfunctions related to the continuous and the discrete problems. By the positivity of the eigenvalues, one can deduce the stability of of the related time-dependent problem ut = -uxxxx. In addition, we study the eigenvalue problem uxxxx = νuxx. This is related to the stability of the linear time-dependent equation uxxt = νuxxxx. Its continuous and discrete eigenvalues and eigenfunction (or eigenvectors) are computed and displayed graphically.

Self-stimulation in the rat: quantitative characteristics of the reward pathway.

PubMed

Gallistel, C R

1978-12-01

Quantitative characteristics of the neural pathway that carries the reinforcing signal in electrical self-stimulation of the brain were established by finding which combinations of stimulation parameters give the same performance in a runway. The reward for each run was a train of evenly spaced monophasic cathodal pulses from a monopolar electrode. With train duration and pulse frequency held constant, the required current was a hyperbolic function of pulse duration, with chronaxie c approximately 1.5 msec. With pulse duration held constant, the required strength of the train (the charge delivered per second) was a hyperbolic function of train duration, with chronaxie C approximately 500 msec. To a first approximation, the values of c and C were independent of the choice either of train duration and pulse frequency or of pulse duration, respectively. Hence, the current intensity required by any choice of train duration, pulse frequency, and pulse duration dependent on only two basic parameters, c and C, and one quantity, Qi, the required impulse charge. These may reflect, respectively, current integration by directly excited neurons; temporal integration of neural activity by synaptic processes in a neural network; and the peak of the impulse response of the network, assuming that the network has linear dynamics and that the reward depends on the peak of the output of the network.

Further study on the solar activity variation of daytime NmF2

NASA Astrophysics Data System (ADS)

Chen, Yiding; Liu, Libo

2010-12-01

The ionosonde observations in the East Asia-Australia sector are collected to further investigate the solar activity variation of daytime (0800 ˜ 1600 LT) NmF2. The linear increase rate of NmF2 with F10.7 at lower solar activity levels is remarkably dependent on latitude, season, and local time. The rate is largest in equinoxes (with an equinoctial asymmetry) and higher in the morning (afternoon) in local winter (summer) at geomagnetic midlatitudes; particularly, the maximum rates in local winter are obviously larger than those in local summer at northern midlatitudes. In the equatorial ionization anomaly (EIA) crest regions, the rates in equinoxes and December (June) solstice are remarkably higher than those in June (December) solstice at the northern (southern) EIA crest, and the rate grows from the morning sector to the afternoon sector. The variation trend of NmF2 with F10.7 also shows latitudinal, seasonal, and local time dependences. The saturation effect dominates in all seasons in the EIA regions; at midlatitudes, NmF2 nearly increases linearly with F10.7 in local winter so that a linear fit is a good approximation for NmF2 modeling, while the saturation effect still dominates in other seasons. The saturation effect is more significant in the afternoon, and the strongest saturation effect appears at the EIA crest latitudes in equinox afternoon. Discussions indicate that the variations of neutral atmosphere and hmF2 are responsible for the seasonal and local time dependences of the linear increase rate of NmF2 with F10.7 at midlatitudes, and the seasonal variation of neutral atmosphere is the primary reason for the seasonal dependence of the variation trend of NmF2 with F10.7, while dynamics processes are the more important factors controlling the linear increase rate and the variation trend of NmF2 with F10.7 at low latitudes. Furthermore, dynamics processes are important for the saturation effect, and the fountain effect is related to the strongest saturation effect appearing at the EIA crests.

Light propagation and the distance-redshift relation in a realistic inhomogeneous universe

NASA Technical Reports Server (NTRS)

Futamase, Toshifumi; Sasaki, Misao

1989-01-01

The propagation of light rays in a clumpy universe constructed by cosmological version of the post-Newtonian approximation was investigated. It is shown that linear approximation to the propagation equations is valid in the region where zeta is approximately less than 1 even if the density contrast is much larger than unity. Based on a gerneral order-of-magnitude statistical consideration, it is argued that the linear approximation is still valid where zeta is approximately greater than 1. A general formula for the distance-redshift relation in a clumpy universe is given. An explicit expression is derived for a simplified situation in which the effect of the gravitational potential of inhomogeneities dominates. In the light of the derived relation, the validity of the Dyer-Roeder distance is discussed. Also, statistical properties of light rays are investigated for a simple model of an inhomogeneous universe. The result of this example supports the validity of the linear approximation.

Interfacial and topological effects on the glass transition in free-standing polystyrene films

NASA Astrophysics Data System (ADS)

Lyulin, Alexey V.; Balabaev, Nikolay K.; Baljon, Arlette R. C.; Mendoza, Gerardo; Frank, Curtis W.; Yoon, Do Y.

2017-05-01

United-atom molecular-dynamics computer simulations of atactic polystyrene (PS) were performed for the bulk and free-standing films of 2 nm-20 nm thickness, for both linear and cyclic polymers comprised of 80 monomers. Simulated volumetric glass-transition temperatures (Tg) show a strong dependence on the film thickness below 10 nm. The glass-transition temperature of linear PS is 13% lower than that of the bulk for 2.5 nm-thick films, as compared to less than 1% lower for 20 nm films. Our studies reveal that the fraction of the chain-end groups is larger in the interfacial layer with its outermost region approximately 1 nm below the surface than it is in the bulk. The enhanced population of the end groups is expected to result in a more mobile interfacial layer and the consequent dependence of Tg on the film thickness. In addition, the simulations show an enrichment of backbone aliphatic carbons and concomitant deficit of phenyl aromatic carbons in the interfacial film layer. This deficit would weaken the strong phenyl-phenyl aromatic (π -π ) interactions and, hence, lead to a lower film-averaged Tg in thin films, as compared to the bulk sample. To investigate the relative importance of the two possible mechanisms (increased chain ends at the surface or weakened π -π interactions in the interfacial region), the data for linear PS are compared with those for cyclic PS. For the cyclic PS, the reduction of the glass-transition temperature is also significant in thin films, albeit not as much as for linear PS. Moreover, the deficit of phenyl carbons in the film interface is comparable to that observed for linear PS. Therefore, chain-end effects alone cannot explain the observed pronounced Tg dependence on the thickness of thin PS films; the weakened phenyl-phenyl interactions in the interfacial region seems to be an important cause as well.

GMX approximation for the linear E ⊗ ɛ Jahn-Teller effect

NASA Astrophysics Data System (ADS)

Mancini, Jay D.; Fessatidis, Vassilios; Bowen, Samuel P.

2006-02-01

A newly developed generalized moments expansion (GMX) based on the t-expansion of Horn and Weinstein is applied to a linear E ⊗ ɛ Jahn-Teller system. Comparisons are made with other moments schemes as well a coupled cluster approximation.

Temperature, illumination and fluence dependence of current and voltage in electron irradiated solar cells

NASA Technical Reports Server (NTRS)

Obenschain, A. F.; Faith, T. J.

1973-01-01

Emperical equations have been derived from measurements of solar cell photovoltaic characteristics relating light generated current, IL, and open circuit voltage, VO, to cell temperature, T, intensity of illumination, W, and 1 Mev electron fluence, phi both 2 ohm-cm and 10 ohm-cm cells were tested. The temperature dependency of IL is similar for both resistivities at 140mw/sq cm; at high temperature the coefficient varies with fluence as phi 0.18, while at low temperatures the coefficient is relatively independent of fluence. Fluence dependent degration causes a decrease in IL at a rate proportional to phi 0.153 for both resistivities. At all intensities other than 560 mw/sq cm, a linear dependence of IL on illumination was found. The temperature coefficient of voltage was, to a good approximation, independent of both temperature and illumination for both resistivities. Illumination dependence of VOC was logarithmic, while the decrease with fluence of VOC varied as phi 0.25 for both resistivities.

The retrieval of the Asian dust depolarization ratio in Korea with the correction of the polarization-dependent transmission

NASA Astrophysics Data System (ADS)

Shin, Sungkyun; Müller, Detlef; Kim, Y. J.; Tatarov, Boyan; Shin, Dongho; Seifert, Patric; Noh, Young Min

2013-01-01

The linear particle depolarization ratios were retrieved from the observation with a multiwavelength Raman lidar at the Gwangju Institute of Science and Technology (GIST), Korea (35.11°N, 126.54°E). The measurements were carried out in spring (March to May) 2011. The transmission ratio measurements were performed to solve problems of the depolarization-dependent transmission at a receiver of the lidar and applied to correct the retrieved depolarization ratio of Asian dust at first time in Korea. The analyzed data from the GIST multiwavelength Raman lidar were classified into three categories according to the linear particle depolarization ratios, which are pure Asian dust on 21 March, the intermediate case which means Asian dust mixed with urban pollution on 13 May, and haze case on 10 April. The measured transmission ratios were applied to these cases respectively. We found that the transmission ratio is needed to be used to retrieve the accurate depolarization ratio of Asian dust and also would be useful to distinguish the mixed dust particles between intermediate case and haze. The particle depolarization ratios of pure Asian dust were approximately 0.25 at 532 nm and 0.14 at 532 nm for the intermediate case. The linear particle depolarization ratios of pure Asian dust observed with the GIST multiwavelength Raman lidar were compared to the linear particle depolarization ratios of Saharan dust observed in Morocco and Asian dust observed both in Japan and China.

Parallel spatial direct numerical simulations on the Intel iPSC/860 hypercube

NASA Technical Reports Server (NTRS)

Joslin, Ronald D.; Zubair, Mohammad

1993-01-01

The implementation and performance of a parallel spatial direct numerical simulation (PSDNS) approach on the Intel iPSC/860 hypercube is documented. The direct numerical simulation approach is used to compute spatially evolving disturbances associated with the laminar-to-turbulent transition in boundary-layer flows. The feasibility of using the PSDNS on the hypercube to perform transition studies is examined. The results indicate that the direct numerical simulation approach can effectively be parallelized on a distributed-memory parallel machine. By increasing the number of processors nearly ideal linear speedups are achieved with nonoptimized routines; slower than linear speedups are achieved with optimized (machine dependent library) routines. This slower than linear speedup results because the Fast Fourier Transform (FFT) routine dominates the computational cost and because the routine indicates less than ideal speedups. However with the machine-dependent routines the total computational cost decreases by a factor of 4 to 5 compared with standard FORTRAN routines. The computational cost increases linearly with spanwise wall-normal and streamwise grid refinements. The hypercube with 32 processors was estimated to require approximately twice the amount of Cray supercomputer single processor time to complete a comparable simulation; however it is estimated that a subgrid-scale model which reduces the required number of grid points and becomes a large-eddy simulation (PSLES) would reduce the computational cost and memory requirements by a factor of 10 over the PSDNS. This PSLES implementation would enable transition simulations on the hypercube at a reasonable computational cost.

Electric field metrology for SI traceability: Systematic measurement uncertainties in electromagnetically induced transparency in atomic vapor

NASA Astrophysics Data System (ADS)

Holloway, Christopher L.; Simons, Matt T.; Gordon, Joshua A.; Dienstfrey, Andrew; Anderson, David A.; Raithel, Georg

2017-06-01

We investigate the relationship between the Rabi frequency (ΩRF, related to the applied electric field) and Autler-Townes (AT) splitting, when performing atom-based radio-frequency (RF) electric (E) field strength measurements using Rydberg states and electromagnetically induced transparency (EIT) in an atomic vapor. The AT splitting satisfies, under certain conditions, a well-defined linear relationship with the applied RF field amplitude. The EIT/AT-based E-field measurement approach derived from these principles is currently being investigated by several groups around the world as a means to develop a new SI-traceable RF E-field measurement technique. We establish conditions under which the measured AT-splitting is an approximately linear function of the RF electric field. A quantitative description of systematic deviations from the linear relationship is key to exploiting EIT/AT-based atomic-vapor spectroscopy for SI-traceable field measurement. We show that the linear relationship is valid and can be used to determine the E-field strength, with minimal error, as long as the EIT linewidth is small compared to the AT-splitting. We also discuss interesting aspects of the thermal dependence (i.e., hot- versus cold-atom) of this EIT-AT technique. An analysis of the transition from cold- to hot-atom EIT in a Doppler-mismatched cascade system reveals a significant change of the dependence of the EIT linewidth on the optical Rabi frequencies and of the AT-splitting on ΩRF.

Subcellular localization for Gram positive and Gram negative bacterial proteins using linear interpolation smoothing model.

PubMed

Saini, Harsh; Raicar, Gaurav; Dehzangi, Abdollah; Lal, Sunil; Sharma, Alok

2015-12-07

Protein subcellular localization is an important topic in proteomics since it is related to a protein׳s overall function, helps in the understanding of metabolic pathways, and in drug design and discovery. In this paper, a basic approximation technique from natural language processing called the linear interpolation smoothing model is applied for predicting protein subcellular localizations. The proposed approach extracts features from syntactical information in protein sequences to build probabilistic profiles using dependency models, which are used in linear interpolation to determine how likely is a sequence to belong to a particular subcellular location. This technique builds a statistical model based on maximum likelihood. It is able to deal effectively with high dimensionality that hinders other traditional classifiers such as Support Vector Machines or k-Nearest Neighbours without sacrificing performance. This approach has been evaluated by predicting subcellular localizations of Gram positive and Gram negative bacterial proteins. Copyright © 2015 Elsevier Ltd. All rights reserved.

Independence of the effective dielectric constant of an electrolytic solution on the ionic distribution in the linear Poisson-Nernst-Planck model.

PubMed

Alexe-Ionescu, A L; Barbero, G; Lelidis, I

2014-08-28

We consider the influence of the spatial dependence of the ions distribution on the effective dielectric constant of an electrolytic solution. We show that in the linear version of the Poisson-Nernst-Planck model, the effective dielectric constant of the solution has to be considered independent of any ionic distribution induced by the external field. This result follows from the fact that, in the linear approximation of the Poisson-Nernst-Planck model, the redistribution of the ions in the solvent due to the external field gives rise to a variation of the dielectric constant that is of the first order in the effective potential, and therefore it has to be neglected in the Poisson's equation that relates the actual electric potential across the electrolytic cell to the bulk density of ions. The analysis is performed in the case where the electrodes are perfectly blocking and the adsorption at the electrodes is negligible, and in the absence of any ion dissociation-recombination effect.

Hypothalamic stimulation and baroceptor reflex interaction on renal nerve activity.

NASA Technical Reports Server (NTRS)

Wilson, M. F.; Ninomiya, I.; Franz, G. N.; Judy, W. V.

1971-01-01

The basal level of mean renal nerve activity (MRNA-0) measured in anesthetized cats was found to be modified by the additive interaction of hypothalamic and baroceptor reflex influences. Data were collected with the four major baroceptor nerves either intact or cut, and with mean aortic pressure (MAP) either clamped with a reservoir or raised with l-epinephrine. With intact baroceptor nerves, MRNA stayed essentially constant at level MRNA-0 for MAP below an initial pressure P1, and fell approximately linearly to zero as MAP was raised to P2. Cutting the baroceptor nerves kept MRNA at MRNA-0 (assumed to represent basal central neural output) independent of MAP. The addition of hypothalamic stimulation produced nearly constant increments in MRNA for all pressure levels up to P2, with complete inhibition at some level above P2. The increments in MRNA depended on frequency and location of the stimulus. A piecewise linear model describes MRNA as a linear combination of hypothalamic, basal central neural, and baroceptor reflex activity.

The role of enzyme and substrate concentration in the evaluation of serum angiotensin converting enzyme (ACE) inhibition by enalaprilat in vitro.

PubMed

Weisser, K; Schloos, J

1991-10-09

The relationship between serum angiotensin converting enzyme (ACE) activity and concentration of the ACE inhibitor enalaprilat was determined in vitro in the presence of different concentrations (S = 4-200 mM) of the substrate Hip-Gly-Gly. From Henderson plots, a competitive tight-binding relationship between enalaprilat and serum ACE was found yielding a value of approximately 5 nM for serum ACE concentration (Et) and an inhibition constant (Ki) for enalaprilat of approximately 0.1 nM. A plot of reaction velocity (Vi) versus total inhibitor concentration (It) exhibited a non-parallel shift of the inhibition curve to the right with increasing S. This was reflected by apparent Hill coefficients greater than 1 when the commonly used inhibitory sigmoid concentration-effect model (Emax model) was applied to the data. Slopes greater than 1 were obviously due to discrepancies between the free inhibitor concentration (If) present in the assay and It plotted on the abscissa and could, therefore, be indicators of tight-binding conditions. Thus, the sigmoid Emax model leads to an overestimation of Ki. Therefore, a modification of the inhibitory sigmoid Emax model (called "Emax tight model") was applied, which accounts for the depletion of If by binding, refers to It and allows estimation of the parameters Et and IC50f (free concentration of inhibitor when 50% inhibition occurs) using non-linear regression analysis. This model could describe the non-symmetrical shape of the inhibition curves and the results for Ki and Et correlated very well with those derived from the Henderson plots. The latter findings confirm that the degree of ACE inhibition measured in vitro is, in fact, dependent on the concentration of substrate and enzyme present in the assay. This is of importance not only for the correct evaluation of Ki but also for the interpretation of the time course of serum ACE inhibition measured ex vivo. The non-linear model has some advantages over the linear Henderson equation: it is directly applicable without conversion of the data and avoids the stochastic dependency of the variables, allowing non-linear regression of all data points contributing with the same weight.

Crystallization Kinetics of Amorphous AgInS2 Film

NASA Astrophysics Data System (ADS)

Kerimova, N. K.; Mamedova, A. Ch.

2018-04-01

The paper deals with crystallization kinetics of amorphous AgInS2 film. The dependence between lnln(V0 / (V0 -Vt) and lnt is obtained for 423, 448 and 468 K temperatures, which shows a linear arrangement of points for these temperatures, i.e. 2.80 2.87 and 2.93, respectively. The approximate equality of these values indicates that during AgInS2 film crystallization, a two-dimensional crystal growth occurs and the reaction rate constant equals (1/3π) {η}_n{η}_c^2.

Round Table Workshop on the Frontiers of Condensed Matter Physics Held in Broomcroft Hall, Manchester on 24-25 September 1990

DTIC Science & Technology

1990-12-01

Jaynes - Cummings model (describing a two-level atom in a radiant cavity), in which the interaction between atom and radiation field is non- linearly...dependent on the field intensity [14]. It is interesting to notice that such an application was fostered by the observation that the Jaynes - Cummings model in...ai i an anilation operator of the radition field and .o is a spin operator of an electron wave function, can be approximated by the product <a,,> ɜ"V

Parameterization of annealing kinetics in pharmaceutical glasses.

PubMed

Hodge, Ian M

2013-07-01

Numerical simulations indicate that neglecting the canonical nonlinearity of glassy-state annealing kinetics in pharmaceutical (and other) glasses leads to good KWW fits to the dependence of enthalpy on annealing time, but with spurious KWW parameters that are affected by nonlinearity. A simplified treatment of nonlinearity that uses the Struik shift factor is found to be a useful approximation for these analyses, and can account for previously reported differences between linear and nonlinear KWW parameters (Kawakami K, Pikal MJ. 2005. J Pharm Sci 94:948-965). Copyright © 2013 Wiley Periodicals, Inc.

On the phenomenology of extended Brans-Dicke gravity

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

Lima, Nelson A.; Ferreira, Pedro G., E-mail: ndal@roe.ac.uk, E-mail: p.ferreira1@physics.ox.ac.uk

We introduce a designer approach for extended Brans-Dicke gravity that allows us to obtain the evolution of the scalar field by fixing the Hubble parameter to that of a w CDM model. We obtain analytical approximations for ϕ as a function of the scale factor and use these to build expressions for the effective Newton's constant at the background and at the linear level and the slip between the perturbed Newtonian potentials. By doing so, we are able to explore their dependence on the fundamental parameters of the theory.

Longitudinal Relaxation of Ferromagnetic Grains

NASA Astrophysics Data System (ADS)

Würger, Alois

1998-07-01

We study the activated longitudinal dynamics of a small single-domain magnet with uniaxial anisotropy, coupled to quantum noise. The smallest finite eigenvalue λ1 = γ0e-EB/kBT of the relaxation matrix is evaluated in a controlled approximation. For white noise we find γ0~T-1 at moderate temperatures and γ0 = const at very low T. Coupling to elastic waves leads to a prefactor that is linear in T or constant, depending on temperature. At very low T, the discreteness of the energy spectrum is crucial.

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

Effects of environment of the activated nonradiative decay of the /sup 3/A/sub 2/ state of Rh/sub 2/(TMB)/sub 4//sup 2 +/

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

Milder, S.J.

1985-10-09

The effect of environment on the temperature dependence of the nonradiative decay of the /sup 3/A/sup 2/ state of Rh/sub 2/(TMB)/sub 4//sup 2 +/ (TMB = 2,5-dimethyl-2,5-diisocyanohexane) is studied. The temperature dependence of the observed nonradiative decay rate can be approximately fit to an Arrhenius-like expression: k/sub obsd/ = k/sub 0/ + Ae/sup -E/sub a//RT/. Arrhenius parameters are obtained in seven different environments, with the activation energies varying from 1970 to 3420 cm/sup -1/. A plot of 1n A vs. E/sub a/, known as a Barclay-Butler plot, is linear, with slope = 3.3 x 10/sup -3/ cm and y interceptmore » = 20.0. The linear Barclay-Butler plot suggests that the activated decay from the /sup 3/A/sub 2/ state of Rh/sub 2/(TMB)/sub 4//sup 2 +/ has the same mechanism, regardless of environment. Single-crystal, dilute-plastic, and dilute-crystal environments have been tested. 13 references, 4 figures.« less

Field emission characteristics of a small number of carbon fiber emitters

NASA Astrophysics Data System (ADS)

Tang, Wilkin W.; Shiffler, Donald A.; Harris, John R.; Jensen, Kevin L.; Golby, Ken; LaCour, Matthew; Knowles, Tim

2016-09-01

This paper reports an experiment that studies the emission characteristics of small number of field emitters. The experiment consists of nine carbon fibers in a square configuration. Experimental results show that the emission characteristics depend strongly on the separation between each emitter, providing evidence of the electric field screening effects. Our results indicate that as the separation between the emitters decreases, the emission current for a given voltage also decreases. The authors compare the experimental results to four carbon fiber emitters in a linear and square configurations as well as to two carbon fiber emitters in a paired array. Voltage-current traces show that the turn-on voltage is always larger for the nine carbon fiber emitters as compared to the two and four emitters in linear configurations, and approximately identical to the four emitters in a square configuration. The observations and analysis reported here, based on Fowler-Nordheim field emission theory, suggest the electric field screening effect depends critically on the number of emitters, the separation between them, and their overall geometric configuration.

The frequency-dependent response of single aerosol particles to vapour phase oscillations and its application in measuring diffusion coefficients

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

Preston, Thomas C.; Davies, James F.; Wilson, Kevin R.

A new method for measuring diffusion in the condensed phase of single aerosol particles is proposed and demonstrated. The technique is based on the frequency-dependent response of a binary particle to oscillations in the vapour phase of one of its chemical components. Here, we discuss how this physical situation allows for what would typically be a non-linear boundary value problem to be approximately reduced to a linear boundary value problem. For the case of aqueous aerosol particles, we investigate the accuracy of the closed-form analytical solution to this linear problem through a comparison with the numerical solution of the fullmore » problem. Then, using experimentally measured whispering gallery modes to track the frequency-dependent response of aqueous particles to relative humidity oscillations, we determine diffusion coefficients as a function of water activity. The measured diffusion coefficients are compared to previously reported values found using the two common experiments: (i) the analysis of the sorption/desorption of water from a particle after a step-wise change to the surrounding relative humidity and (ii) the isotopic exchange of water between a particle and the vapour phase. The technique presented here has two main strengths: first, when compared to the sorption/desorption experiment, it does not require the numerical evaluation of a boundary value problem during the fitting process as a closed-form expression is available. Second, when compared to the isotope exchange experiment, it does not require the use of labeled molecules. Therefore, the frequency-dependent experiment retains the advantages of these two commonly used methods but does not suffer from their drawbacks.« less

The frequency-dependent response of single aerosol particles to vapour phase oscillations and its application in measuring diffusion coefficients

DOE PAGES

Preston, Thomas C.; Davies, James F.; Wilson, Kevin R.

2017-01-13

A new method for measuring diffusion in the condensed phase of single aerosol particles is proposed and demonstrated. The technique is based on the frequency-dependent response of a binary particle to oscillations in the vapour phase of one of its chemical components. Here, we discuss how this physical situation allows for what would typically be a non-linear boundary value problem to be approximately reduced to a linear boundary value problem. For the case of aqueous aerosol particles, we investigate the accuracy of the closed-form analytical solution to this linear problem through a comparison with the numerical solution of the fullmore » problem. Then, using experimentally measured whispering gallery modes to track the frequency-dependent response of aqueous particles to relative humidity oscillations, we determine diffusion coefficients as a function of water activity. The measured diffusion coefficients are compared to previously reported values found using the two common experiments: (i) the analysis of the sorption/desorption of water from a particle after a step-wise change to the surrounding relative humidity and (ii) the isotopic exchange of water between a particle and the vapour phase. The technique presented here has two main strengths: first, when compared to the sorption/desorption experiment, it does not require the numerical evaluation of a boundary value problem during the fitting process as a closed-form expression is available. Second, when compared to the isotope exchange experiment, it does not require the use of labeled molecules. Therefore, the frequency-dependent experiment retains the advantages of these two commonly used methods but does not suffer from their drawbacks.« less

Surface tension and density of Si-Ge melts

NASA Astrophysics Data System (ADS)

Ricci, Enrica; Amore, Stefano; Giuranno, Donatella; Novakovic, Rada; Tuissi, Ausonio; Sobczak, Natalia; Nowak, Rafal; Korpala, Bartłomiej; Bruzda, Grzegorz

2014-06-01

In this work, the surface tension and density of Si-Ge liquid alloys were determined by the pendant drop method. Over the range of measurements, both properties show a linear temperature dependence and a nonlinear concentration dependence. Indeed, the density decreases with increasing silicon content exhibiting positive deviation from ideality, while the surface tension increases and deviates negatively with respect to the ideal solution model. Taking into account the Si-Ge phase diagram, a simple lens type, the surface tension behavior of the Si-Ge liquid alloys was analyzed in the framework of the Quasi-Chemical Approximation for the Regular Solutions model. The new experimental results were compared with a few data available in the literature, obtained by the containerless method.

Temperature dependence of threshold current in GaAs/AlGaAs quantum well lasers

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

Blood, P.; Colak, S.; Kucharska, A.I.

1988-02-22

We have calculated the threshold current and its temperature (T) dependence in the range 200--400 K for AlGaAs quantum well lasers with 25-A-wide GaAs wells using a model which includes lifetime broadening of the transitions and broadening of the density of states function by fluctuations in the well width. The threshold current varies approximately linearly with T and the principal effect of broadening is to increase the threshold current causing a reduction in the fractional change of current with temperature. The apparent value of the parameter T/sub 0/ is increased to approx. =400 K, compared with approx. =320 K withoutmore » broadening. The calculations are compared with experimental data.« less

Do large rate coefficients for ion-polar neutral reactions have a serious effect on chemical models of dense clouds?

NASA Technical Reports Server (NTRS)

Herbst, E.; Leung, C. M.

1986-01-01

In order to incorporate large ion-polar neutral rate coefficients into existing gas phase reaction networks, it is necessary to utilize simplified theoretical treatments because of the significant number of rate coefficients needed. The authors have used two simple theoretical treatments: the locked dipole approach of Moran and Hamill for linear polar neutrals and the trajectory scaling approach of Su and Chesnavich for nonlinear polar neutrals. The former approach is suitable for linear species because in the interstellar medium these are rotationally relaxed to a large extent and the incoming charged reactants can lock their dipoles into the lowest energy configuration. The latter approach is a better approximation for nonlinear neutral species, in which rotational relaxation is normally less severe and the incoming charged reactants are not as effective at locking the dipoles. The treatments are in reasonable agreement with more detailed long range theories and predict an inverse square root dependence on kinetic temperature for the rate coefficient. Compared with the locked dipole method, the trajectory scaling approach results in rate coefficients smaller by a factor of approximately 2.5.

Exact analytical formulae for linearly distributed vortex and source sheets in uence computation in 2D vortex methods

NASA Astrophysics Data System (ADS)

Kuzmina, K. S.; Marchevsky, I. K.; Ryatina, E. P.

2017-11-01

We consider the methodology of numerical schemes development for two-dimensional vortex method. We describe two different approaches to deriving integral equation for unknown vortex sheet intensity. We simulate the velocity of the surface line of an airfoil as the influence of attached vortex and source sheets. We consider a polygonal approximation of the airfoil and assume intensity distributions of free and attached vortex sheets and attached source sheet to be approximated with piecewise constant or piecewise linear (continuous or discontinuous) functions. We describe several specific numerical schemes that provide different accuracy and have a different computational cost. The study shows that a Galerkin-type approach to solving boundary integral equation requires computing several integrals and double integrals over the panels. We obtain exact analytical formulae for all the necessary integrals, which makes it possible to raise significantly the accuracy of vortex sheet intensity computation and improve the quality of velocity and vorticity field representation, especially in proximity to the surface line of the airfoil. All the formulae are written down in the invariant form and depend only on the geometric relationship between the positions of the beginnings and ends of the panels.

Harmonic generation beyond the Strong-Field Approximation: the physics behind the short-wave-infrared scaling laws.

PubMed

Pérez-Hernández, J A; Roso, L; Plaja, L

2009-06-08

The physics of laser-mater interactions beyond the perturbative limit configures the field of extreme non-linear optics. Although most experiments have been done in the near infrared ( lambda

Pure quasi-P-wave calculation in transversely isotropic media using a hybrid method

NASA Astrophysics Data System (ADS)

Wu, Zedong; Liu, Hongwei; Alkhalifah, Tariq

2018-07-01

The acoustic approximation for anisotropic media is widely used in current industry imaging and inversion algorithms mainly because Pwaves constitute the majority of the energy recorded in seismic exploration. The resulting acoustic formulae tend to be simpler, resulting in more efficient implementations, and depend on fewer medium parameters. However, conventional solutions of the acoustic wave equation with higher-order derivatives suffer from shear wave artefacts. Thus, we derive a new acoustic wave equation for wave propagation in transversely isotropic (TI) media, which is based on a partially separable approximation of the dispersion relation for TI media and free of shear wave artefacts. Even though our resulting equation is not a partial differential equation, it is still a linear equation. Thus, we propose to implement this equation efficiently by combining the finite difference approximation with spectral evaluation of the space-independent parts. The resulting algorithm provides solutions without the constraint ɛ ≥ δ. Numerical tests demonstrate the effectiveness of the approach.

Reliable Real-Time Solution of Parametrized Partial Differential Equations: Reduced-Basis Output Bound Methods. Appendix 2

NASA Technical Reports Server (NTRS)

Prudhomme, C.; Rovas, D. V.; Veroy, K.; Machiels, L.; Maday, Y.; Patera, A. T.; Turinici, G.; Zang, Thomas A., Jr. (Technical Monitor)

2002-01-01

We present a technique for the rapid and reliable prediction of linear-functional outputs of elliptic (and parabolic) partial differential equations with affine parameter dependence. The essential components are (i) (provably) rapidly convergent global reduced basis approximations, Galerkin projection onto a space W(sub N) spanned by solutions of the governing partial differential equation at N selected points in parameter space; (ii) a posteriori error estimation, relaxations of the error-residual equation that provide inexpensive yet sharp and rigorous bounds for the error in the outputs of interest; and (iii) off-line/on-line computational procedures, methods which decouple the generation and projection stages of the approximation process. The operation count for the on-line stage, in which, given a new parameter value, we calculate the output of interest and associated error bound, depends only on N (typically very small) and the parametric complexity of the problem; the method is thus ideally suited for the repeated and rapid evaluations required in the context of parameter estimation, design, optimization, and real-time control.

The three-point function as a probe of models for large-scale structure

NASA Technical Reports Server (NTRS)

Frieman, Joshua A.; Gaztanaga, Enrique

1993-01-01

The consequences of models of structure formation for higher-order (n-point) galaxy correlation functions in the mildly non-linear regime are analyzed. Several variations of the standard Omega = 1 cold dark matter model with scale-invariant primordial perturbations were recently introduced to obtain more power on large scales, R(sub p) is approximately 20 h(sup -1) Mpc, e.g., low-matter-density (non-zero cosmological constant) models, 'tilted' primordial spectra, and scenarios with a mixture of cold and hot dark matter. They also include models with an effective scale-dependent bias, such as the cooperative galaxy formation scenario of Bower, etal. It is shown that higher-order (n-point) galaxy correlation functions can provide a useful test of such models and can discriminate between models with true large-scale power in the density field and those where the galaxy power arises from scale-dependent bias: a bias with rapid scale-dependence leads to a dramatic decrease of the hierarchical amplitudes Q(sub J) at large scales, r is approximately greater than R(sub p). Current observational constraints on the three-point amplitudes Q(sub 3) and S(sub 3) can place limits on the bias parameter(s) and appear to disfavor, but not yet rule out, the hypothesis that scale-dependent bias is responsible for the extra power observed on large scales.

Dependence of Photosynthetic Capacity, Photosynthetic Pigment Allocation, and Carbon Storage on Nitrogen Levels in Foliage of Aspen Stands

NASA Technical Reports Server (NTRS)

Middleton, Elizabeth M.; Sullivan, Joseph H.; Papagno, Andrea J.

2000-01-01

The role of foliar nitrogen (N) in the seasonal dynamics and vertical canopy distribution of photosynthetic pigments, photosynthetic capacity, and carbon (C) storage was investigated in boreal broadleaved species. The study was conducted at two different aged stands (60 y and 15 y) in 1994 and 1996 in Saskatchewan, Canada as part of the Boreal Ecosystem-Atmosphere Study (BOREAS). Foliage in upper and lower strata was examined for aspen (Populus tremuloides Michx.) and its associated hazelnut shrub (Corylus americana Walt.). We determined that C accumulation, expressed as dry mass per unit leaf area (mg C cm (exp -2)), was linearly dependent on N content (approximately 0.3- 3.5 mg N cm (exp -2))(r (exp 2) = 0.93, n=383, P less than 0.001) when eleven foliage groups were defined according to species, site, and developmental stage. C assembly was greatest in the upper aspen strata of both sites (seasonal average, 40.1 plus or minus 0.6 mg C cm (exp -2)), intermediate in the lower aspen strata (32.7 plus or minus 0.6), and considerably lower, and similar, in the hazelnut shrub layers (23.7 plus or minus 0.6) and in expanding aspen leaves (23.8 plus or minus 0.5); the lowest C assembly per unit N occurred in the two youngest, emerging leaf groups (17.1 plus or minus 0.6). Other relationships among physiological and biochemical variables were typically non-linear and were confounded by inclusion of the three groups of young (i.e., emerging or expanding) leaves, unless these were separately identified. Net C uptake, measured as photosynthetic capacity (A (sub max), micromole CO2 m (exp -2) s (exp -1)), was greater in aspen throughout the season, and optimal in mid-summer at a C:N ratio of approximately 18 (approximately 2.3 %N). When young leaves were excluded and logarithms of both variables were used, A (sub max) was approximately linearly dependent on N (mg N cm (exp-2) (r (exp 2) = 0.85, n= 193, P less than 0.001), attributed to incorporation of N into photosynthetic complexes and enzymes. In mature leaves, differences in pigment content vs. N among canopy strata were accentuated when N was expressed per unit leaf area (Mg cm (exp -2)) . However, the simplest log-linear relationship between a pigment variable and N was obtained for a ratio describing the relative allocation of photosynthetic pigment to Chl a (Chl a/[Chl b + carotenoids], microgram cm (exp -2)/ microgram cm-2) vs. %N (r (exp 2) = 0.90, n=343, P less than 0.001). Attainment of comparable A (sub max) Chl a content and relative Chl a allocation per unit N (mg cm (exp -2)) was achieved at different foliar N levels per canopy group: the lowest N requirement was for hazelnut leaves in the lowest, shaded stratum at the older, closed canopy site; the highest N requirement was in aspen leaves of the upper-most stratum at the younger, more open canopy site. These results highlight the differences in physiological responses between young and fully expanded leaves and show that sustaining those foliar constituents and processes important to C balance may require higher foliar N levels in leaves of establishing vs. mature aspen stands. There may be implications for remote-sensing assessments made for carbon balance in springtime, or over a landscape mosaic comprised of different aged stands.

Pass rates on the American Board of Family Medicine Certification Exam by residency location and size.

PubMed

Falcone, John L; Middleton, Donald B

2013-01-01

The Accreditation Council for Graduate Medical Education (ACGME) sets residency performance standards for the American Board of Family Medicine Certification Examination. This study aims are to describe the compliance of residency programs with ACGME standards and to determine whether residency pass rates depend on program size and location. In this retrospective cohort study, residency performance from 2007 to 2011 was compared with the ACGME performance standards. Simple linear regression was performed to see whether program pass rates were dependent on program size. Regional differences in performance were compared with χ(2) tests, using an α level of 0.05. Of 429 total residency programs, there were 205 (47.8%) that violate ACGME performance standards. Linear regression showed that program pass rates were positively correlated and dependent on program size (P < .001). The median pass rate per state was 86.4% (interquartile range, 82.0-90.8. χ(2) Tests showed that states in the West performed higher than the other 3 US Census Bureau Regions (all P < .001). Approximately half of the family medicine training programs do not meet the ACGME examination performance standards. Pass rates are associated with residency program size, and regional variation occurs. These findings have the potential to affect ACGME policy and residency program application patterns.

Bias Reduction and Filter Convergence for Long Range Stereo

NASA Technical Reports Server (NTRS)

Sibley, Gabe; Matthies, Larry; Sukhatme, Gaurav

2005-01-01

We are concerned here with improving long range stereo by filtering image sequences. Traditionally, measurement errors from stereo camera systems have been approximated as 3-D Gaussians, where the mean is derived by triangulation and the covariance by linearized error propagation. However, there are two problems that arise when filtering such 3-D measurements. First, stereo triangulation suffers from a range dependent statistical bias; when filtering this leads to over-estimating the true range. Second, filtering 3-D measurements derived via linearized error propagation leads to apparent filter divergence; the estimator is biased to under-estimate range. To address the first issue, we examine the statistical behavior of stereo triangulation and show how to remove the bias by series expansion. The solution to the second problem is to filter with image coordinates as measurements instead of triangulated 3-D coordinates.

Suboptimal LQR-based spacecraft full motion control: Theory and experimentation

NASA Astrophysics Data System (ADS)

Guarnaccia, Leone; Bevilacqua, Riccardo; Pastorelli, Stefano P.

2016-05-01

This work introduces a real time suboptimal control algorithm for six-degree-of-freedom spacecraft maneuvering based on a State-Dependent-Algebraic-Riccati-Equation (SDARE) approach and real-time linearization of the equations of motion. The control strategy is sub-optimal since the gains of the linear quadratic regulator (LQR) are re-computed at each sample time. The cost function of the proposed controller has been compared with the one obtained via a general purpose optimal control software, showing, on average, an increase in control effort of approximately 15%, compensated by real-time implementability. Lastly, the paper presents experimental tests on a hardware-in-the-loop six-degree-of-freedom spacecraft simulator, designed for testing new guidance, navigation, and control algorithms for nano-satellites in a one-g laboratory environment. The tests show the real-time feasibility of the proposed approach.

Quantum Theory of (H,H{Sub 2}) Scattering: Approximate Treatments of Reactive Scattering

DOE R&D Accomplishments Database

Tang, K. T.; Karplus, M.

1970-10-01

A quantum mechanical study is made of reactive scattering in the (H, H{sub 2}) system. The problem is formulated in terms of a form of the distorted-wave Born approximation (DWBA) suitable for collisions in which all particles have finite mass. For certain incident energies, differential and total cross sections, as well as other attributes of the reactive collisions, (e.g. reaction configuration), are determined. Two limiting models in the DWBA formulation are compared; in one, the molecule is unperturbed by the incoming atom and in the other, the molecule adiabatically follows the incoming atom. For thermal incident energies and semi-empirical interaction potential employed, the adiabatic model seems to be more appropriate. Since the DWBA method is too complicated for a general study of the (H, H{sub 2}) reaction, a much simpler approximation method, the ?linear model? is developed. This model is very different in concept from treatments in which the three atoms are constrained to move on a line throughout the collision. The present model includes the full three-dimensional aspect of the collision and it is only the evaluation of the transition matrix element itself that is simplified. It is found that the linear model, when appropriately normalized, gives results in good agreement with that of the DWBA method. By application of this model, the energy dependence, rotational state of dependence and other properties of the total and differential reactions cross sections are determined. These results of the quantum mechanical treatment are compared with the classical calculation for the same potential surface. The most important result is that, in agreement with the classical treatment, the differential cross sections are strongly backward peaked at low energies and shifts in the forward direction as the energy increases. Finally, the implications of the present calculations for a theory of chemical kinetics are discussed.

Propagation and Breaking at High Altitudes of Gravity Waves Excited by Tropospheric Forcing

NASA Technical Reports Server (NTRS)

Prusa, Joseph M.; Smolarkiewicz, Piotr K.; Garcia, Rolando R.

1996-01-01

An anelastic approximation is used with a time-variable coordinate transformation to formulate a two-dimensional numerical model that describes the evolution of gravity waves. The model is solved using a semi-Lagrangian method with monotone (nonoscillatory) interpolation of all advected fields. The time-variable transformation is used to generate disturbances at the lower boundary that approximate the effect of a traveling line of thunderstorms (a squall line) or of flow over a broad topographic obstacle. The vertical propagation and breaking of the gravity wave field (under conditions typical of summer solstice) is illustrated for each of these cases. It is shown that the wave field at high altitudes is dominated by a single horizontal wavelength; which is not always related simply to the horizontal dimension of the source. The morphology of wave breaking depends on the horizontal wavelength; for sufficiently short waves, breaking involves roughly one half of the wavelength. In common with other studies, it is found that the breaking waves undergo "self-acceleration," such that the zonal-mean intrinsic frequency remains approximately constant in spite of large changes in the background wind. It is also shown that many of the features obtained in the calculations can be understood in terms of linear wave theory. In particular, linear theory provides insights into the wavelength of the waves that break at high altitudes, the onset and evolution of breaking. the horizontal extent of the breaking region and its position relative to the forcing, and the minimum and maximum altitudes where breaking occurs. Wave breaking ceases at the altitude where the background dissipation rate (which in our model is a proxy for molecular diffusion) becomes greater than the rate of dissipation due to wave breaking, This altitude, in effect, the model turbopause, is shown to depend on a relatively small number of parameters that characterize the waves and the background state.

Technical Note: Statistical dependences between channels in radiochromic film readings. Implications in multichannel dosimetry.

PubMed

González-López, Antonio; Vera-Sánchez, Juan Antonio; Ruiz-Morales, Carmen

2016-05-01

This note studies the statistical relationships between color channels in radiochromic film readings with flatbed scanners. The same relationships are studied for noise. Finally, their implications for multichannel film dosimetry are discussed. Radiochromic films exposed to wedged fields of 6 MV energy were read in a flatbed scanner. The joint histograms of pairs of color channels were used to obtain the joint and conditional probability density functions between channels. Then, the conditional expectations and variances of one channel given another channel were obtained. Noise was extracted from film readings by means of a multiresolution analysis. Two different dose ranges were analyzed, the first one ranging from 112 to 473 cGy and the second one from 52 to 1290 cGy. For the smallest dose range, the conditional expectations of one channel given another channel can be approximated by linear functions, while the conditional variances are fairly constant. The slopes of the linear relationships between channels can be used to simplify the expression that estimates the dose by means of the multichannel method. The slopes of the linear relationships between each channel and the red one can also be interpreted as weights in the final contribution to dose estimation. However, for the largest dose range, the conditional expectations of one channel given another channel are no longer linear functions. Finally, noises in different channels were found to correlate weakly. Signals present in different channels of radiochromic film readings show a strong statistical dependence. By contrast, noise correlates weakly between channels. For the smallest dose range analyzed, the linear behavior between the conditional expectation of one channel given another channel can be used to simplify calculations in multichannel film dosimetry.

Technical Note: Statistical dependences between channels in radiochromic film readings. Implications in multichannel dosimetry

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

González-López, Antonio, E-mail: antonio.gonzalez7@carm.es; Vera-Sánchez, Juan Antonio; Ruiz-Morales, Carmen

Purpose: This note studies the statistical relationships between color channels in radiochromic film readings with flatbed scanners. The same relationships are studied for noise. Finally, their implications for multichannel film dosimetry are discussed. Methods: Radiochromic films exposed to wedged fields of 6 MV energy were read in a flatbed scanner. The joint histograms of pairs of color channels were used to obtain the joint and conditional probability density functions between channels. Then, the conditional expectations and variances of one channel given another channel were obtained. Noise was extracted from film readings by means of a multiresolution analysis. Two different dosemore » ranges were analyzed, the first one ranging from 112 to 473 cGy and the second one from 52 to 1290 cGy. Results: For the smallest dose range, the conditional expectations of one channel given another channel can be approximated by linear functions, while the conditional variances are fairly constant. The slopes of the linear relationships between channels can be used to simplify the expression that estimates the dose by means of the multichannel method. The slopes of the linear relationships between each channel and the red one can also be interpreted as weights in the final contribution to dose estimation. However, for the largest dose range, the conditional expectations of one channel given another channel are no longer linear functions. Finally, noises in different channels were found to correlate weakly. Conclusions: Signals present in different channels of radiochromic film readings show a strong statistical dependence. By contrast, noise correlates weakly between channels. For the smallest dose range analyzed, the linear behavior between the conditional expectation of one channel given another channel can be used to simplify calculations in multichannel film dosimetry.« less

Quantitative model of diffuse speckle contrast analysis for flow measurement.

PubMed

Liu, Jialin; Zhang, Hongchao; Lu, Jian; Ni, Xiaowu; Shen, Zhonghua

2017-07-01

Diffuse speckle contrast analysis (DSCA) is a noninvasive optical technique capable of monitoring deep tissue blood flow. However, a detailed study of the speckle contrast model for DSCA has yet to be presented. We deduced the theoretical relationship between speckle contrast and exposure time and further simplified it to a linear approximation model. The feasibility of this linear model was validated by the liquid phantoms which demonstrated that the slope of this linear approximation was able to rapidly determine the Brownian diffusion coefficient of the turbid media at multiple distances using multiexposure speckle imaging. Furthermore, we have theoretically quantified the influence of optical property on the measurements of the Brownian diffusion coefficient which was a consequence of the fact that the slope of this linear approximation was demonstrated to be equal to the inverse of correlation time of the speckle.

Three-dimensional organization of otolith-ocular reflexes in rhesus monkeys. III. Responses To translation

NASA Technical Reports Server (NTRS)

Angelaki, D. E.

1998-01-01

The three-dimensional (3-D) properties of the translational vestibulo-ocular reflexes (translational VORs) during lateral and fore-aft oscillations in complete darkness were studied in rhesus monkeys at frequencies between 0.16 and 25 Hz. In addition, constant velocity off-vertical axis rotations extended the frequency range to 0.02 Hz. During lateral motion, horizontal responses were in phase with linear velocity in the frequency range of 2-10 Hz. At both lower and higher frequencies, phase lags were introduced. Torsional response phase changed more than 180 degrees in the tested frequency range such that torsional eye movements, which could be regarded as compensatory to "an apparent roll tilt" at the lowest frequencies, became anticompensatory at all frequencies above approximately 1 Hz. These results suggest two functionally different frequency bandwidths for the translational VORs. In the low-frequency spectrum (<<0.5 Hz), horizontal responses compensatory to translation are small and high-pass-filtered whereas torsional response sensitivity is relatively frequency independent. At higher frequencies however, both horizontal and torsional response sensitivity and phase exhibit a similar frequency dependence, suggesting a common role during head translation. During up-down motion, vertical responses were in phase with translational velocity at 3-5 Hz but phase leads progressively increased for lower frequencies (>90 degrees at frequencies <0.2 Hz). No consistent dependence on static head orientation was observed for the vertical response components during up-down motion and the horizontal and torsional response components during lateral translation. The frequency response characteristics of the translational VORs were fitted by "periphery/brain stem" functions that related the linear acceleration input, transduced by primary otolith afferents, to the velocity signals providing the input to the velocity-to-position neural integrator and the oculomotor plant. The lowest-order, best-fit periphery/brain stem model that approximated the frequency dependence of the data consisted of a second order transfer function with two alternating poles (at 0.4 and 7.2 Hz) and zeros (at 0.035 and 3.4 Hz). In addition to clearly differentiator dynamics at low frequencies (less than approximately 0.5 Hz), there was no frequency bandwidth where the periphery/brain stem function could be approximated by an integrator, as previously suggested. In this scheme, the oculomotor plant dynamics are assumed to perform the necessary high-frequency integration as required by the reflex. The detailed frequency dependence of the data could only be precisely described by higher order functions with nonminimum phase characteristics that preclude simple filtering of afferent inputs and might be suggestive of distributed spatiotemporal processing of otolith signals in the translational VORs.

A minimization principle for the description of modes associated with finite-time instabilities

PubMed Central

Babaee, H.

2016-01-01

We introduce a minimization formulation for the determination of a finite-dimensional, time-dependent, orthonormal basis that captures directions of the phase space associated with transient instabilities. While these instabilities have finite lifetime, they can play a crucial role either by altering the system dynamics through the activation of other instabilities or by creating sudden nonlinear energy transfers that lead to extreme responses. However, their essentially transient character makes their description a particularly challenging task. We develop a minimization framework that focuses on the optimal approximation of the system dynamics in the neighbourhood of the system state. This minimization formulation results in differential equations that evolve a time-dependent basis so that it optimally approximates the most unstable directions. We demonstrate the capability of the method for two families of problems: (i) linear systems, including the advection–diffusion operator in a strongly non-normal regime as well as the Orr–Sommerfeld/Squire operator, and (ii) nonlinear problems, including a low-dimensional system with transient instabilities and the vertical jet in cross-flow. We demonstrate that the time-dependent subspace captures the strongly transient non-normal energy growth (in the short-time regime), while for longer times the modes capture the expected asymptotic behaviour. PMID:27118900

Application of the dressed-bound-state molecular strong-field approximation to above-threshold ionization of heteronuclear molecules: NO vs. CO.

PubMed

Busuladžić, M; Hasović, E; Becker, W; Milošević, D B

2012-10-07

We theoretically investigate high-order above-threshold ionization (HATI) of heteronuclear diatomic molecules applying the molecular strong-field approximation which includes dressing of the molecular bound state. We consider HATI of nitrogen monoxide molecules, which are characterized by the π symmetry of their highest occupied molecular orbital. We show that the HATI spectra of NO exhibit characteristic interference structures. We analyze the differences and similarities of the HATI spectra of NO molecules and the spectra of CO (σ symmetry) and O(2) (π(g) symmetry) molecules. The symmetry properties of the molecular HATI spectra governed by linearly and elliptically polarized fields are considered in detail. The yields of high-energy electrons, contributing to the plateau region of the photoelectron spectra, strongly depend on the employed ellipticity.

Linear electro-optic effect in semiconductors: Ab initio description of the electronic contribution

NASA Astrophysics Data System (ADS)

Prussel, Lucie; Véniard, Valérie

2018-05-01

We propose an ab initio framework to derive the electronic part of the second-order susceptibility tensor for the electro-optic effect in bulk semiconductors. We find a general expression for χ(2 ) evaluated within time-dependent density-functional theory, including explicitly the band-gap corrections at the level of the scissors approximation. Excitonic effects are accounted for, on the basis of a simple scalar approximation. We apply our formalism to the computation of the electro-optic susceptibilities for several semiconductors, such as GaAs, GaN, and SiC. Taking into account the ionic contribution according to the Faust-Henry coefficient, we obtain a good agreement with experimental results. Finally, using different types of strain to break centrosymmetry, we show that high electro-optic coefficients can be obtained in bulk silicon for a large range of frequencies.

Nonlinear radiative peristaltic flow of hydromagnetic fluid through porous medium

NASA Astrophysics Data System (ADS)

Hussain, Q.; Latif, T.; Alvi, N.; Asghar, S.

2018-06-01

The radiative heat and mass transfer in wall induced flow of hydromagnetic fluid through porous medium in an asymmetric channel is analyzed. The fluid viscosity is considered temperature dependent. In the theory of peristalsis, the radiation effects are either ignored or taken as linear approximation of radiative heat flux. Such approximation is only possible when there is sufficiently small temperature differences in the flow field; however, nonlinear radiation effects are valid for large temperature differences as well (the new feature added in the present study). Mathematical modeling of the problems include the complicated system of highly nonlinear differential equations. Semi-analytical solutions are established in the wave reference frame. Results are displayed graphically and discussed in detail for the variation of various physical parameters with the special attention to viscosity, radiation, and temperature ratio parameters.

Landau-Zener extension of the Tavis-Cummings model: structure of the solution

NASA Astrophysics Data System (ADS)

Sun, Chen; Sinitsyn, Nikolai

We explore the recently discovered solution of the driven Tavis-Cummings model (DTCM). It describes interaction of arbitrary number of two-level systems with a bosonic mode that has linearly time-dependent frequency. We derive compact and tractable expressions for transition probabilities in terms of the well known special functions. In the new form, our formulas are suitable for fast numerical calculations and analytical approximations. As an application, we obtain the semiclassical limit of the exact solution and compare it to prior approximations. We also reveal connection between DTCM and q-deformed binomial statistics. Under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. Authors also thank the support from the LDRD program at LANL.

Implementation of parallel moment equations in NIMROD

NASA Astrophysics Data System (ADS)

Lee, Hankyu Q.; Held, Eric D.; Ji, Jeong-Young

2017-10-01

As collisionality is low (the Knudsen number is large) in many plasma applications, kinetic effects become important, particularly in parallel dynamics for magnetized plasmas. Fluid models can capture some kinetic effects when integral parallel closures are adopted. The adiabatic and linear approximations are used in solving general moment equations to obtain the integral closures. In this work, we present an effort to incorporate non-adiabatic (time-dependent) and nonlinear effects into parallel closures. Instead of analytically solving the approximate moment system, we implement exact parallel moment equations in the NIMROD fluid code. The moment code is expected to provide a natural convergence scheme by increasing the number of moments. Work in collaboration with the PSI Center and supported by the U.S. DOE under Grant Nos. DE-SC0014033, DE-SC0016256, and DE-FG02-04ER54746.

Ultraviolet laser-induced lateral photovoltaic response in anisotropic black shale

NASA Astrophysics Data System (ADS)

Miao, Xinyang; Zhu, Jing; Zhao, Kun; Yue, Wenzheng

2017-12-01

The anisotropy of shale has significant impact on oil and gas exploration and engineering. In this paper, a-248 nm ultraviolet laser was employed to assess the anisotropic lateral photovoltaic (LPV) response of shale. Anisotropic angle-depending voltage signals were observed with different peak amplitudes ( V p) and decay times. We employed exponential models to explain the charge carrier transport in horizontal and vertical directions. Dependences of the laser-induced LPV on the laser spot position were observed. Owing to the Dember effect and the layered structure of shale, V p shows an approximately linear dependence with the laser-irradiated position for the 0° shale sample but nonlinearity for the 45° and 90° ones. The results demonstrate that the laser-induced voltage method is very sensitive to the structure of materials, and thus has a great potential in oil and gas reservoir characterization.

Improved two-temperature model including electron density of states effects for Au during femtosecond laser pulses

NASA Astrophysics Data System (ADS)

Fang, Ranran; Wei, Hua; Li, Zhihua; Zhang, Duanming

2012-01-01

The electron temperature dependences of the electron-phonon coupling factor and electron heat capacity based on the electron density of states are investigated for precious metal Au under femtosecond laser irradiation. The thermal excitation of d band electrons is found to result in large deviations from the commonly used approximations of linear temperature dependence of the electron heat capacity, and the constant electron-phonon coupling factor. Results of the simulations performed with the two-temperature model demonstrate that the electron-phonon relaxation time becomes short for high fluence laser for Au. The satisfactory agreement between our numerical results and experimental data of threshold fluence indicates that the electron temperature dependence of the thermophysical parameters accounting for the thermal excitation of d band electrons should not be neglected under the condition that electron temperature is higher than 10 4 K.

Linear Optical Response of Silicon Nanotubes Under Axial Magnetic Field

NASA Astrophysics Data System (ADS)

Chegel, Raad; Behzad, Somayeh

2013-01-01

We investigated the optical properties of silicon nanotubes (SiNTs) in the low energy region, E < 0.5 eV, and middle energy region, 1.8 eV < E < 2 eV. The dependence of optical matrix elements and linear susceptibility on radius and magnetic field, in terms of one-dimensional (1-d) wavevector and subband index, is calculated using the tight-binding approximation. It is found that, on increasing the nanotube diameter, the low-energy peaks show red-shift and their intensities are decreased. Also, we found that in the middle energy region all tubes have two distinct peaks, where the energy position of the second peak is approximately constant and independent of the nanotube diameter. Comparing the band structure of these tubes in different magnetic fields, several differences are clearly seen, such as splitting of degenerate bands, creation of additional band-edge states, and bandgap modification. It is found that applying the magnetic field leads to a phase transition in zigzag silicon hexagonal nanotubes (Si h-NTs), unlike in zigzag silicon gear-like nanotubes (Si g-NTs), which remain semiconducting in any magnetic field. We found that the axial magnetic field has two effects on the linear susceptibility spectrum, namely broadening and splitting. The axial magnetic field leads to the creation of a peak with energy less than 0.2 eV in metallic Si h-NTs, whereas in the absence of a magnetic field such a transition is not allowed.

COMPARISON OF IMPLICIT SCHEMES TO SOLVE EQUATIONS OF RADIATION HYDRODYNAMICS WITH A FLUX-LIMITED DIFFUSION APPROXIMATION: NEWTON–RAPHSON, OPERATOR SPLITTING, AND LINEARIZATION

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

Tetsu, Hiroyuki; Nakamoto, Taishi, E-mail: h.tetsu@geo.titech.ac.jp

Radiation is an important process of energy transport, a force, and a basis for synthetic observations, so radiation hydrodynamics (RHD) calculations have occupied an important place in astrophysics. However, although the progress in computational technology is remarkable, their high numerical cost is still a persistent problem. In this work, we compare the following schemes used to solve the nonlinear simultaneous equations of an RHD algorithm with the flux-limited diffusion approximation: the Newton–Raphson (NR) method, operator splitting, and linearization (LIN), from the perspective of the computational cost involved. For operator splitting, in addition to the traditional simple operator splitting (SOS) scheme,more » we examined the scheme developed by Douglas and Rachford (DROS). We solve three test problems (the thermal relaxation mode, the relaxation and the propagation of linear waves, and radiating shock) using these schemes and then compare their dependence on the time step size. As a result, we find the conditions of the time step size necessary for adopting each scheme. The LIN scheme is superior to other schemes if the ratio of radiation pressure to gas pressure is sufficiently low. On the other hand, DROS can be the most efficient scheme if the ratio is high. Although the NR scheme can be adopted independently of the regime, especially in a problem that involves optically thin regions, the convergence tends to be worse. In all cases, SOS is not practical.« less

The climate response to five trillion tonnes of carbon

NASA Astrophysics Data System (ADS)

Tokarska, Katarzyna B.; Gillett, Nathan P.; Weaver, Andrew J.; Arora, Vivek K.; Eby, Michael

2016-09-01

Concrete actions to curtail greenhouse gas emissions have so far been limited on a global scale, and therefore the ultimate magnitude of climate change in the absence of further mitigation is an important consideration for climate policy. Estimates of fossil fuel reserves and resources are highly uncertain, and the amount used under a business-as-usual scenario would depend on prevailing economic and technological conditions. In the absence of global mitigation actions, five trillion tonnes of carbon (5 EgC), corresponding to the lower end of the range of estimates of the total fossil fuel resource, is often cited as an estimate of total cumulative emissions. An approximately linear relationship between global warming and cumulative CO2 emissions is known to hold up to 2 EgC emissions on decadal to centennial timescales; however, in some simple climate models the predicted warming at higher cumulative emissions is less than that predicted by such a linear relationship. Here, using simulations from four comprehensive Earth system models, we demonstrate that CO2-attributable warming continues to increase approximately linearly up to 5 EgC emissions. These models simulate, in response to 5 EgC of CO2 emissions, global mean warming of 6.4-9.5 °C, mean Arctic warming of 14.7-19.5 °C, and mean regional precipitation increases by more than a factor of four. These results indicate that the unregulated exploitation of the fossil fuel resource could ultimately result in considerably more profound climate changes than previously suggested.

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

Importance of Vibronic Effects in the UV-Vis Spectrum of the 7,7,8,8-Tetracyanoquinodimethane Anion.

PubMed

Tapavicza, Enrico; Furche, Filipp; Sundholm, Dage

2016-10-11

We present a computational method for simulating vibronic absorption spectra in the ultraviolet-visible (UV-vis) range and apply it to the 7,7,8,8-tetracyanoquinodimethane anion (TCNQ - ), which has been used as a ligand in black absorbers. Gaussian broadening of vertical electronic excitation energies of TCNQ - from linear-response time-dependent density functional theory produces only one band, which is qualitatively incorrect. Thus, the harmonic vibrational modes of the two lowest doublet states were computed, and the vibronic UV-vis spectrum was simulated using the displaced harmonic oscillator approximation, the frequency-shifted harmonic oscillator approximation, and the full Duschinsky formalism. An efficient real-time generating function method was implemented to avoid the exponential complexity of conventional Franck-Condon approaches to vibronic spectra. The obtained UV-vis spectra for TCNQ - agree well with experiment; the Duschinsky rotation is found to have only a minor effect on the spectrum. Born-Oppenheimer molecular dynamics simulations combined with calculations of the electronic excitation energies for a large number of molecular structures were also used for simulating the UV-vis spectrum. The Born-Oppenheimer molecular dynamics simulations yield a broadening of the energetically lowest peak in the absorption spectrum, but additional vibrational bands present in the experimental and simulated quantum harmonic oscillator spectra are not observed in the molecular dynamics simulations. Our results underline the importance of vibronic effects for the UV-vis spectrum of TCNQ - , and they establish an efficient method for obtaining vibronic spectra using a combination of linear-response time-dependent density functional theory and a real-time generating function approach.

Derivative information recovery by a selective integration technique

NASA Technical Reports Server (NTRS)

Johnson, M. A.

1974-01-01

A nonlinear stationary homogeneous digital filter DIRSIT (derivative information recovery by a selective integration technique) is investigated. The spectrum of a quasi-linear discrete describing function (DDF) to DIRSIT is obtained by a digital measuring scheme. A finite impulse response (FIR) approximation to the quasi-linearization is then obtained. Finally, DIRSIT is compared with its quasi-linear approximation and with a standard digital differentiating technique. Results indicate the effects of DIRSIT on a wide variety of practical signals.

Non-linear HRV indices under autonomic nervous system blockade.

PubMed

Bolea, Juan; Pueyo, Esther; Laguna, Pablo; Bailón, Raquel

2014-01-01

Heart rate variability (HRV) has been studied as a non-invasive technique to characterize the autonomic nervous system (ANS) regulation of the heart. Non-linear methods based on chaos theory have been used during the last decades as markers for risk stratification. However, interpretation of these nonlinear methods in terms of sympathetic and parasympathetic activity is not fully established. In this work we study linear and non-linear HRV indices during ANS blockades in order to assess their relation with sympathetic and parasympathetic activities. Power spectral content in low frequency (0.04-0.15 Hz) and high frequency (0.15-0.4 Hz) bands of HRV, as well as correlation dimension, sample and approximate entropies were computed in a database of subjects during single and dual ANS blockade with atropine and/or propranolol. Parasympathetic blockade caused a significant decrease in the low and high frequency power of HRV, as well as in correlation dimension and sample and approximate entropies. Sympathetic blockade caused a significant increase in approximate entropy. Sympathetic activation due to postural change from supine to standing caused a significant decrease in all the investigated non-linear indices and a significant increase in the normalized power in the low frequency band. The other investigated linear indices did not show significant changes. Results suggest that parasympathetic activity has a direct relation with sample and approximate entropies.

Are non-linearity effects of absorption important for MAX-DOAS observations?

NASA Astrophysics Data System (ADS)

Pukite, Janis; Wang, Yang; Wagner, Thomas

2017-04-01

For scattered light observations the absorption optical depth depends non-linearly on the trace gas concentrations if their absorption is strong. This is the case because the Beer-Lambert law is generally not applicable for scattered light measurements due to many (i.e. more than one) light paths contributing to the measurement. While in many cases a linear approximation can be made, for scenarios with strong absorption non-linear effects cannot always be neglected. This is especially the case for observation geometries with spatially extended and diffuse light paths, especially in satellite limb geometry but also for nadir measurements as well. Fortunately the effects of non-linear effects can be quantified by means of expanding the radiative transfer equation in a Taylor series with respect to the trace gas absorption coefficients. Herewith if necessary (1) the higher order absorption structures can be described as separate fit parameters in the DOAS fit and (2) the algorithm constraints of retrievals of VCDs and profiles can be improved by considering higher order sensitivity parameters. In this study we investigate the contribution of the higher order absorption structures for MAX-DOAS observation geometry for different atmospheric and ground properties (cloud and aerosol effects, trace gas amount, albedo) and geometry (different Sun and viewing angles).

Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer

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

Säkkinen, Niko; Peng, Yang; Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin-Dahlem

2015-12-21

We present a Kadanoff-Baym formalism to study time-dependent phenomena for systems of interacting electrons and phonons in the framework of many-body perturbation theory. The formalism takes correctly into account effects of the initial preparation of an equilibrium state and allows for an explicit time-dependence of both the electronic and phononic degrees of freedom. The method is applied to investigate the charge neutral and non-neutral excitation spectra of a homogeneous, two-site, two-electron Holstein model. This is an extension of a previous study of the ground state properties in the Hartree (H), partially self-consistent Born (Gd) and fully self-consistent Born (GD) approximationsmore » published in Säkkinen et al. [J. Chem. Phys. 143, 234101 (2015)]. Here, the homogeneous ground state solution is shown to become unstable for a sufficiently strong interaction while a symmetry-broken ground state solution is shown to be stable in the Hartree approximation. Signatures of this instability are observed for the partially self-consistent Born approximation but are not found for the fully self-consistent Born approximation. By understanding the stability properties, we are able to study the linear response regime by calculating the density-density response function by time-propagation. This amounts to a solution of the Bethe-Salpeter equation with a sophisticated kernel. The results indicate that none of the approximations is able to describe the response function during or beyond the bipolaronic crossover for the parameters investigated. Overall, we provide an extensive discussion on when the approximations are valid and how they fail to describe the studied exact properties of the chosen model system.« less

Many-Body Perturbation Theory (MBPT) and Time-Dependent Density-Functional Theory (TD-DFT): MBPT Insights About What Is Missing In, and Corrections To, the TD-DFT Adiabatic Approximation.

PubMed

Casida, Mark E; Huix-Rotllant, Miquel

2016-01-01

In their famous paper, Kohn and Sham formulated a formally exact density-functional theory (DFT) for the ground-state energy and density of a system of N interacting electrons, albeit limited at the time by certain troubling representability questions. As no practical exact form of the exchange-correlation (xc) energy functional was known, the xc-functional had to be approximated, ideally by a local or semilocal functional. Nowadays, however, the realization that Nature is not always so nearsighted has driven us up Perdew's Jacob's ladder to find increasingly nonlocal density/wavefunction hybrid functionals. Time-dependent (TD-) DFT is a younger development which allows DFT concepts to be used to describe the temporal evolution of the density in the presence of a perturbing field. Linear response (LR) theory then allows spectra and other information about excited states to be extracted from TD-DFT. Once again the exact TD-DFT xc-functional must be approximated in practical calculations and this has historically been done using the TD-DFT adiabatic approximation (AA) which is to TD-DFT very similar to what the local density approximation (LDA) is to conventional ground-state DFT. Although some of the recent advances in TD-DFT focus on what can be done within the AA, others explore ways around the AA. After giving an overview of DFT, TD-DFT, and LR-TD-DFT, this chapter focuses on many-body corrections to LR-TD-DFT as one way to build hybrid density-functional/wavefunction methodology for incorporating aspects of nonlocality in time not present in the AA.

Convergence of Galerkin approximations for operator Riccati equations: A nonlinear evolution equation approach

NASA Technical Reports Server (NTRS)

Rosen, I. G.

1988-01-01

An approximation and convergence theory was developed for Galerkin approximations to infinite dimensional operator Riccati differential equations formulated in the space of Hilbert-Schmidt operators on a separable Hilbert space. The Riccati equation was treated as a nonlinear evolution equation with dynamics described by a nonlinear monotone perturbation of a strongly coercive linear operator. A generic approximation result was proven for quasi-autonomous nonlinear evolution system involving accretive operators which was then used to demonstrate the Hilbert-Schmidt norm convergence of Galerkin approximations to the solution of the Riccati equation. The application of the results was illustrated in the context of a linear quadratic optimal control problem for a one dimensional heat equation.

Brittle failure of rock: A review and general linear criterion

NASA Astrophysics Data System (ADS)

Labuz, Joseph F.; Zeng, Feitao; Makhnenko, Roman; Li, Yuan

2018-07-01

A failure criterion typically is phenomenological since few models exist to theoretically derive the mathematical function. Indeed, a successful failure criterion is a generalization of experimental data obtained from strength tests on specimens subjected to known stress states. For isotropic rock that exhibits a pressure dependence on strength, a popular failure criterion is a linear equation in major and minor principal stresses, independent of the intermediate principal stress. A general linear failure criterion called Paul-Mohr-Coulomb (PMC) contains all three principal stresses with three material constants: friction angles for axisymmetric compression ϕc and extension ϕe and isotropic tensile strength V0. PMC provides a framework to describe a nonlinear failure surface by a set of planes "hugging" the curved surface. Brittle failure of rock is reviewed and multiaxial test methods are summarized. Equations are presented to implement PMC for fitting strength data and determining the three material parameters. A piecewise linear approximation to a nonlinear failure surface is illustrated by fitting two planes with six material parameters to form either a 6- to 12-sided pyramid or a 6- to 12- to 6-sided pyramid. The particular nature of the failure surface is dictated by the experimental data.

Performance of Al2O3:C optically stimulated luminescence dosimeters for clinical radiation therapy applications.

PubMed

Hu, B; Wang, Y; Zealey, W

2009-12-01

A commercial Optical Stimulated Luminescence (OSL) dosimetry system developed by Landauer was tested to analyse the possibility of using OSL dosimetry for external beam radiotherapy planning checks. Experiments were performed to determine signal sensitivity, dose response range, beam type/energy dependency, reproducibility and linearity. Optical annealing processes to test OSL material reusability were also studied. In each case the measurements were converted into absorbed dose. The experimental results show that OSL dosimetry provides a wide dose response range, good linearity and reproducibility for the doses up to 800cGy. The OSL output is linear with dose up to 600cGy range showing a maximum deviation from linearity of 2.0% for the doses above 600cGy. The standard deviation in response of 20 dosimeters was 3.0%. After optical annealing using incandescent light, the readout intensity decreased by approximately 98% in the first 30 minutes. The readout intensity, I, decreased after repeated optical annealing as a power law, given by I infinity t (-1.3). This study concludes that OSL dosimetry can provide an alternative dosimetry technique for use in in-vivo dosimetry if rigorous measurement protocols are established.

Photonic engineering of highly linearly polarized quantum dot emission at telecommunication wavelengths

NASA Astrophysics Data System (ADS)

Mrowiński, P.; Emmerling, M.; Schneider, C.; Reithmaier, J. P.; Misiewicz, J.; Höfling, S.; Sek, G.

2018-04-01

In this work, we discuss a method to control the polarization anisotropy of spontaneous emission from neutral excitons confined in quantum-dot-like nanostructures, namely single epitaxial InAs quantum dashes emitting at telecom wavelengths. The nanostructures are embedded inside lithographically defined, in-plane asymmetric photonic mesa structures, which generate polarization-dependent photonic confinement. First, we study the influence of the photonic confinement on the polarization anisotropy of the emission by photoluminescence spectroscopy, and we find evidence of different contributions to a degree of linear polarization (DOLP), i.e., from the quantum dash and the photonic mesa, in total giving rise to DOLP =0.85 . Then, we perform finite-difference time-domain simulations of photonic confinement, and we calculate the DOLP in a dipole approximation showing well-matched results for the established model. Furthermore, by using numerical calculations, we demonstrate several types of photonic confinements where highly linearly polarized emission with DOLP of about 0.9 is possible by controlling the position of a quantum emitter inside the photonic structure. Then, we elaborate on anisotropic quantum emitters allowing for exceeding DOLP =0.95 in an optimized case, and we discuss the ways towards efficient linearly polarized single photon source at telecom bands.

Statistical properties of radiation from VUV and X-ray free electron laser

NASA Astrophysics Data System (ADS)

Saldin, E. L.; Schneidmiller, E. A.; Yurkov, M. V.

1998-03-01

The paper presents a comprehensive analysis of the statistical properties of the radiation from a self-amplified spontaneous emission (SASE) free electron laser operating in linear and nonlinear mode. The investigation has been performed in a one-dimensional approximation assuming the electron pulse length to be much larger than a coherence length of the radiation. The following statistical properties of the SASE FEL radiation have been studied in detail: time and spectral field correlations, distribution of the fluctuations of the instantaneous radiation power, distribution of the energy in the electron bunch, distribution of the radiation energy after the monochromator installed at the FEL amplifier exit and radiation spectrum. The linear high gain limit is studied analytically. It is shown that the radiation from a SASE FEL operating in the linear regime possesses all the features corresponding to completely chaotic polarized radiation. A detailed study of statistical properties of the radiation from a SASE FEL operating in linear and nonlinear regime has been performed by means of time-dependent simulation codes. All numerical results presented in the paper have been calculated for the 70 nm SASE FEL at the TESLA Test Facility being under construction at DESY.

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.

Fluid overpressures and strength of the sedimentary upper crust

NASA Astrophysics Data System (ADS)

Suppe, John

2014-12-01

The classic crustal strength-depth profile based on rock mechanics predicts a brittle strength σ1 -σ3 = κ(ρbar gz -Pf) that increases linearly with depth as a consequence of [1] the intrinsic brittle pressure dependence κ plus [2] an assumption of hydrostatic pore-fluid pressure, Pf = ρwgz. Many deep borehole stress data agree with a critical state of failure of this form. In contrast, fluid pressures greater than hydrostatic ρbar gz >Pf >ρw gz are normally observed in clastic continental margins and shale-rich mountain belts. Therefore we explore the predicted shapes of strength-depth profiles using data from overpressured regions, especially those dominated by the widespread disequilibrium-compaction mechanism, in which fluid pressures are hydrostatic above the fluid-retention depth zFRD and overpressured below, increasing parallel to the lithostatic gradient ρbar gz . Both brittle crustal strength and frictional fault strength below the zFRD must be constant with depth because effective stress (ρbar gz -Pf) is constant, in contrast with the classic linearly increasing profile. Borehole stress and fluid-pressure measurements in several overpressured deforming continental margins agree with this constant-strength prediction, with the same pressure-dependence κ as the overlying hydrostatic strata. The role of zFRD in critical-taper wedge mechanics and jointing is illustrated. The constant-strength approximation is more appropriate for overpressured crust than classic linearly increasing models.

Polarization of Light from Leaves Measured from 0.5 - 1.6 mm

NASA Technical Reports Server (NTRS)

Vanderbilt, V. C.; Ustin, S. L.; Daughtry, C. S. T.; Walthal, C. L.; Greenberg, J. A.

2006-01-01

The light scattered by plant canopies depends in part on the light scattering/absorbing properties of the leaves. Insights into these properties gained at the leaf scale are necessary ultimately to accomplish the region and global scale environmental goals of the EOS era. While this scattered light may be described by the four components of the Stokes vector, (intensity, magnitude of line= polarization, angle of plane of linear polarization, and magnitude of circular polarization), significant progress has been achieved toward understanding only the first component, the intensity of the scattered light. Recent research shows that the magnitude of the linearly polarized light may be a significant part of the light scattered by some canopies. Thus, consideration of the second component may be necessary to obtain an unambiguous understanding of the canopy processes. We measured the intensity and the linear polarization of the light scattered by single leaves, testing the hypothesis that the polarization of the light scattered by each leaf was attributable to properties of the surfaces of the leaf and specifically did not depend upon the properties of the interior of the leaf. This research extends previous investigations limited to the single leaves of approximately 20 species typically found in the area of Lafayette, Indiana, to the leaves of 30 species representing monocots, dicots and ferns from six continents.

Theory of end-labeled free-solution electrophoresis: is the end effect important?

PubMed

Chubynsky, Mykyta V; Slater, Gary W

2014-03-01

In the theory of free-solution electrophoresis of a polyelectrolyte (such as the DNA) conjugated with a "drag-tag," the conjugate is divided into segments of equal hydrodynamic friction and its electrophoretic mobility is calculated as a weighted average of the mobilities of individual segments. If all the weights are assumed equal, then for an electrically neutral drag-tag, the elution time t is predicted to depend linearly on the inverse DNA length 1/M. While it is well-known that the equal-weights assumption is approximate and in reality the weights increase toward the ends, this "end effect" has been assumed to be small, since in experiments the t(1/M) dependence seems to be nearly perfectly linear. We challenge this assumption pointing out that some experimental linear fits do not extrapolate to the free (i.e. untagged) DNA elution time in the limit 1/M→0, indicating nonlinearity outside the fitting range. We show that a theory for a flexible polymer taking the end effect into account produces a nonlinear curve that, however, can be fitted with a straight line over a limited range of 1/M typical of experiments, but with a "wrong" intercept, which explains the experimental results without additional assumptions. We also study the influence of the flexibilities of the charged and neutral parts. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Differential equation based method for accurate approximations in optimization

NASA Technical Reports Server (NTRS)

Pritchard, Jocelyn I.; Adelman, Howard M.

1990-01-01

This paper describes a method to efficiently and accurately approximate the effect of design changes on structural response. The key to this new method is to interpret sensitivity equations as differential equations that may be solved explicitly for closed form approximations, hence, the method is denoted the Differential Equation Based (DEB) method. Approximations were developed for vibration frequencies, mode shapes and static displacements. The DEB approximation method was applied to a cantilever beam and results compared with the commonly-used linear Taylor series approximations and exact solutions. The test calculations involved perturbing the height, width, cross-sectional area, tip mass, and bending inertia of the beam. The DEB method proved to be very accurate, and in msot cases, was more accurate than the linear Taylor series approximation. The method is applicable to simultaneous perturbation of several design variables. Also, the approximations may be used to calculate other system response quantities. For example, the approximations for displacement are used to approximate bending stresses.

Differential equation based method for accurate approximations in optimization

NASA Technical Reports Server (NTRS)

Pritchard, Jocelyn I.; Adelman, Howard M.

1990-01-01

A method to efficiently and accurately approximate the effect of design changes on structural response is described. The key to this method is to interpret sensitivity equations as differential equations that may be solved explicitly for closed form approximations, hence, the method is denoted the Differential Equation Based (DEB) method. Approximations were developed for vibration frequencies, mode shapes and static displacements. The DEB approximation method was applied to a cantilever beam and results compared with the commonly-used linear Taylor series approximations and exact solutions. The test calculations involved perturbing the height, width, cross-sectional area, tip mass, and bending inertia of the beam. The DEB method proved to be very accurate, and in most cases, was more accurate than the linear Taylor series approximation. The method is applicable to simultaneous perturbation of several design variables. Also, the approximations may be used to calculate other system response quantities. For example, the approximations for displacements are used to approximate bending stresses.

Dietary saturated triacylglycerols suppress hepatic low density lipoprotein receptor activity in the hamster.

PubMed

Spady, D K; Dietschy, J M

1985-07-01

The liver plays a key role in the regulation of circulating levels of low density lipoproteins (LDL) because it is both the site for the production of and the major organ for the degradation of this class of lipoproteins. In this study, the effects of feeding polyunsaturated or saturated triacylglycerols on receptor-dependent and receptor-independent hepatic LDL uptake were measured in vivo in the hamster. In control animals, receptor-dependent LDL transport manifested an apparent Km value of 85 mg/dl (plasma LDL-cholesterol concentration) and reached a maximum transport velocity of 131 micrograms of LDL-cholesterol/hr per g, whereas receptor-independent uptake increased as a linear function of plasma LDL levels. Thus, at normal plasma LDL-cholesterol concentrations, the hepatic clearance rate of LDL equaled 120 and 9 microliter/hr per g by receptor-dependent and receptor-independent mechanisms, respectively. As the plasma LDL-cholesterol was increased, the receptor-dependent (but not the receptor-independent) component declined. When cholesterol (0.12%) alone or in combination with polyunsaturated triacylglycerols was fed for 30 days, receptor-dependent clearance was reduced to 36-42 microliter/hr per g, whereas feeding of cholesterol plus saturated triacylglycerols essentially abolished receptor-dependent LDL uptake (5 microliter/hr per g). When compared to the appropriate kinetic curves, these findings indicated that receptor-mediated LDL transport was suppressed approximately equal to 30% by cholesterol feeding alone and this was unaffected by the addition of polyunsaturated triacylglycerols to the diet. In contrast, receptor-dependent uptake was suppressed approximately equal to 90% by the intake of saturated triacylglycerols. As compared to polyunsaturated triacylglycerols, the intake of saturated lipids was also associated with significantly higher plasma LDL-cholesterol concentrations and lower levels of cholesteryl esters in the liver.

When can a single-species, density-dependent model capture the dynamics of a consumer-resource system?

PubMed

Reynolds, Sara A; Brassil, Chad E

2013-12-21

Single-species population models often include density-dependence phenomenologically in order to approximate higher order mechanisms. Here we consider the common scenario in which density-dependence acts via depletion of a renewed resource. When the response of the resource is very quick relative to that of the consumer, the consumer dynamics can be captured by a single-species, density-dependent model. Time scale separation is used to show analytically how the shape of the density-dependent relationship depends on the type of resource and the form of the functional response. Resource types of abiotic, biotic, and biotic with migration are considered, in combination with linear and saturating functional responses. In some cases, we derive familiar forms of single-species models, adding to the justification for their use. In other scenarios novel forms of density-dependence are derived, for example an abiotic resource and a saturating functional response can result in a nonlinear density-dependent relationship in the associated single-species model of the consumer. In this case, the per capita relationship has both concave-up and concave-down sections. © 2013 Published by Elsevier Ltd. All rights reserved.

Burgers approximation for two-dimensional flow past an ellipse

NASA Technical Reports Server (NTRS)

Dorrepaal, J. M.

1982-01-01

A linearization of the Navier-Stokes equation due to Burgers in which vorticity is transported by the velocity field corresponding to continuous potential flow is examined. The governing equations are solved exactly for the two dimensional steady flow past an ellipse of arbitrary aspect ratio. The requirement of no slip along the surface of the ellipse results in an infinite algebraic system of linear equations for coefficients appearing in the solution. The system is truncated at a point which gives reliable results for Reynolds numbers R in the range 0 R 5. Predictions of the Burgers approximation regarding separation, drag and boundary layer behavior are investigated. In particular, Burgers linearization gives drag coefficients which are closer to observed experimental values than those obtained from Oseen's approximation. In the special case of flow past a circular cylinder, Burgers approximation predicts a boundary layer whose thickness is roughly proportional to R-1/2.

Improving the frequency precision of oscillators by synchronization.

PubMed

Cross, M C

2012-04-01

Improving the frequency precision by synchronizing a lattice of N oscillators with disparate frequencies is studied in the phase reduction limit. In the general case where the coupling is not purely dissipative the synchronized state consists of targetlike waves radiating from a local source, which is a region of higher-frequency oscillators. In this state the improvement of the frequency precision is shown to be independent of N for large N, but instead depends on the disorder and reflects the dependence of the frequency of the synchronized state on just those oscillators in the source region of the waves. These results are obtained by a mapping of the nonlinear phase dynamics onto the linear Anderson problem of the quantum mechanics of electrons on a random lattice in the tight-binding approximation.

An efficient method for solving the steady Euler equations

NASA Technical Reports Server (NTRS)

Liou, M.-S.

1986-01-01

An efficient numerical procedure for solving a set of nonlinear partial differential equations, the steady Euler equations, using Newton's linearization procedure is presented. A theorem indicating quadratic convergence for the case of differential equations is demonstrated. A condition for the domain of quadratic convergence Omega(2) is obtained which indicates that whether an approximation lies in Omega(2) depends on the rate of change and the smoothness of the flow vectors, and hence is problem-dependent. The choice of spatial differencing, of particular importance for the present method, is discussed. The treatment of boundary conditions is addressed, and the system of equations resulting from the foregoing analysis is summarized and solution strategies are discussed. The convergence of calculated solutions is demonstrated by comparing them with exact solutions to one and two-dimensional problems.

The temperature-dependency of the optical band gap of ZnO measured by electron energy-loss spectroscopy in a scanning transmission electron microscope

NASA Astrophysics Data System (ADS)

Granerød, Cecilie S.; Galeckas, Augustinas; Johansen, Klaus Magnus; Vines, Lasse; Prytz, Øystein

2018-04-01

The optical band gap of ZnO has been measured as a function of temperature using Electron Energy-Loss Spectroscopy (EELS) in a (Scanning) Transmission Electron Microscope ((S)TEM) from approximately 100 K up towards 1000 K. The band gap narrowing shows a close to linear dependency for temperatures above 250 K and is accurately described by Varshni, Bose-Einstein, Pässler and Manoogian-Woolley models. Additionally, the measured band gap is compared with both optical absorption measurements and photoluminescence data. STEM-EELS is here shown to be a viable technique to measure optical band gaps at elevated temperatures, with an available temperature range up to 1500 K and the benefit of superior spatial resolution.

Performance analysis of wideband data and television channels. [space shuttle communications

NASA Technical Reports Server (NTRS)

Geist, J. M.

1975-01-01

Several aspects are discussed of space shuttle communications, including the return link (shuttle-to-ground) relayed through a satellite repeater (TDRS). The repeater exhibits nonlinear amplification and an amplitude-dependent phase shift. Models were developed for various link configurations, and computer simulation programs based on these models are described. Certain analytical results on system performance were also obtained. For the system parameters assumed, the results indicate approximately 1 db degradation relative to a link employing a linear repeater. While this degradation is dependent upon the repeater, filter bandwidths, and modulation parameters used, the programs can accommodate changes to any of these quantities. Thus the programs can be applied to determine the performance with any given set of parameters, or used as an aid in link design.

On High-Order Upwind Methods for Advection

NASA Technical Reports Server (NTRS)

Huynh, H. T.

2017-01-01

In the fourth installment of the celebrated series of five papers entitled "Towards the ultimate conservative difference scheme", Van Leer (1977) introduced five schemes for advection, the first three are piecewise linear, and the last two, piecewise parabolic. Among the five, scheme I, which is the least accurate, extends with relative ease to systems of equations in multiple dimensions. As a result, it became the most popular and is widely known as the MUSCL scheme (monotone upstream-centered schemes for conservation laws). Schemes III and V have the same accuracy, are the most accurate, and are closely related to current high-order methods. Scheme III uses a piecewise linear approximation that is discontinuous across cells, and can be considered as a precursor of the discontinuous Galerkin methods. Scheme V employs a piecewise quadratic approximation that is, as opposed to the case of scheme III, continuous across cells. This method is the basis for the on-going "active flux scheme" developed by Roe and collaborators. Here, schemes III and V are shown to be equivalent in the sense that they yield identical (reconstructed) solutions, provided the initial condition for scheme III is defined from that of scheme V in a manner dependent on the CFL number. This equivalence is counter intuitive since it is generally believed that piecewise linear and piecewise parabolic methods cannot produce the same solutions due to their different degrees of approximation. The finding also shows a key connection between the approaches of discontinuous and continuous polynomial approximations. In addition to the discussed equivalence, a framework using both projection and interpolation that extends schemes III and V into a single family of high-order schemes is introduced. For these high-order extensions, it is demonstrated via Fourier analysis that schemes with the same number of degrees of freedom ?? per cell, in spite of the different piecewise polynomial degrees, share the same sets of eigenvalues and thus, have the same stability and accuracy. Moreover, these schemes are accurate to order 2??-1, which is higher than the expected order of ??.

A hybrid continuous-discrete method for stochastic reaction-diffusion processes.

PubMed

Lo, Wing-Cheong; Zheng, Likun; Nie, Qing

2016-09-01

Stochastic fluctuations in reaction-diffusion processes often have substantial effect on spatial and temporal dynamics of signal transductions in complex biological systems. One popular approach for simulating these processes is to divide the system into small spatial compartments assuming that molecules react only within the same compartment and jump between adjacent compartments driven by the diffusion. While the approach is convenient in terms of its implementation, its computational cost may become prohibitive when diffusive jumps occur significantly more frequently than reactions, as in the case of rapid diffusion. Here, we present a hybrid continuous-discrete method in which diffusion is simulated using continuous approximation while reactions are based on the Gillespie algorithm. Specifically, the diffusive jumps are approximated as continuous Gaussian random vectors with time-dependent means and covariances, allowing use of a large time step, even for rapid diffusion. By considering the correlation among diffusive jumps, the approximation is accurate for the second moment of the diffusion process. In addition, a criterion is obtained for identifying the region in which such diffusion approximation is required to enable adaptive calculations for better accuracy. Applications to a linear diffusion system and two nonlinear systems of morphogens demonstrate the effectiveness and benefits of the new hybrid method.

Onion-like nanoscale structures and fullerene-type cages formed by electron irradiation on turbostratic B{sub x}C{sub 1{minus}x} (x<0.2)

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

Golberg, D.; Bando, Y.; Kurashima, K.

Flakes of CVD grown B{sub x}C{sub 1{minus}x} (x<0.2) films were exposed to intense electron irradiation (flux density up to {approximately}100 A/cm{sup 2}) in a 300 kV high resolution electron microscope equipped with a field emission gun. The starting flakes revealed a turbostratic B{sub x}C{sub 1{minus}x} structure. The composition of the starting materials and irradiated products was determined by using electron energy loss spectroscopy (EELS). Depending on the electron dose applied, irradiation of the turbostratic material led to formation of soap-bubble-like irregularly-shaped objects (linear dimensions of {approximately}2--5 nm), onion- and semi-onion-like structures (d{approximately}10nm), nested fullerenes (3--14 shells) and elementary fullerene-type cagesmore » (d{approximately}0.7 nm). It is thought that these curled and closed nanostructures arise from a continuous bending of the hexagonal B{sub x}C{sub 1{minus}x} sheets under electron irradiation. Finally, some possible structural models of B{sub x}C{sub 1{minus}x} fullerenes are considered.« less

Approximation theory for LQG (Linear-Quadratic-Gaussian) optimal control of flexible structures

NASA Technical Reports Server (NTRS)

Gibson, J. S.; Adamian, A.

1988-01-01

An approximation theory is presented for the LQG (Linear-Quadratic-Gaussian) optimal control problem for flexible structures whose distributed models have bounded input and output operators. The main purpose of the theory is to guide the design of finite dimensional compensators that approximate closely the optimal compensator. The optimal LQG problem separates into an optimal linear-quadratic regulator problem and an optimal state estimation problem. The solution of the former problem lies in the solution to an infinite dimensional Riccati operator equation. The approximation scheme approximates the infinite dimensional LQG problem with a sequence of finite dimensional LQG problems defined for a sequence of finite dimensional, usually finite element or modal, approximations of the distributed model of the structure. Two Riccati matrix equations determine the solution to each approximating problem. The finite dimensional equations for numerical approximation are developed, including formulas for converting matrix control and estimator gains to their functional representation to allow comparison of gains based on different orders of approximation. Convergence of the approximating control and estimator gains and of the corresponding finite dimensional compensators is studied. Also, convergence and stability of the closed-loop systems produced with the finite dimensional compensators are discussed. The convergence theory is based on the convergence of the solutions of the finite dimensional Riccati equations to the solutions of the infinite dimensional Riccati equations. A numerical example with a flexible beam, a rotating rigid body, and a lumped mass is given.

Modeling the global positioning system signal propagation through the ionosphere

NASA Technical Reports Server (NTRS)

Bassiri, S.; Hajj, G. A.

1992-01-01

Based on realistic modeling of the electron density of the ionosphere and using a dipole moment approximation for the Earth's magnetic field, one is able to estimate the effect of the ionosphere on the Global Positioning System (GPS) signal for a ground user. The lowest order effect, which is on the order of 0.1-100 m of group delay, is subtracted out by forming a linear combination of the dual frequencies of the GPS signal. One is left with second- and third-order effects that are estimated typically to be approximately 0-2 cm and approximately 0-2 mm at zenith, respectively, depending on the geographical location, the time of day, the time of year, the solar cycle, and the relative geometry of the magnetic field and the line of sight. Given the total electron content along a line of sight, the authors derive an approximation to the second-order term which is accurate to approximately 90 percent within the magnetic dipole moment model; this approximation can be used to reduce the second-order term to the millimeter level, thus potentially improving precise positioning in space and on the ground. The induced group delay, or phase advance, due to second- and third-order effects is examined for two ground receivers located at equatorial and mid-latitude regions tracking several GPS satellites.

Unambiguous discrimination between linearly dependent equidistant states with multiple copies

NASA Astrophysics Data System (ADS)

Zhang, Wen-Hai; Ren, Gang

2018-07-01

Linearly independent quantum states can be unambiguously discriminated, but linearly dependent ones cannot. For linearly dependent quantum states, however, if C copies of the single states are available, then they may form linearly independent states, and can be unambiguously discriminated. We consider unambiguous discrimination among N = D + 1 linearly dependent states given that C copies are available and that the single copies span a D-dimensional space with equal inner products. The maximum unambiguous discrimination probability is derived for all C with equal a priori probabilities. For this classification of the linearly dependent equidistant states, our result shows that if C is even then adding a further copy fails to increase the maximum discrimination probability.

Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)].

PubMed

Guo, Yang; Riplinger, Christoph; Becker, Ute; Liakos, Dimitrios G; Minenkov, Yury; Cavallo, Luigi; Neese, Frank

2018-01-07

In this communication, an improved perturbative triples correction (T) algorithm for domain based local pair-natural orbital singles and doubles coupled cluster (DLPNO-CCSD) theory is reported. In our previous implementation, the semi-canonical approximation was used and linear scaling was achieved for both the DLPNO-CCSD and (T) parts of the calculation. In this work, we refer to this previous method as DLPNO-CCSD(T 0 ) to emphasize the semi-canonical approximation. It is well-established that the DLPNO-CCSD method can predict very accurate absolute and relative energies with respect to the parent canonical CCSD method. However, the (T 0 ) approximation may introduce significant errors in absolute energies as the triples correction grows up in magnitude. In the majority of cases, the relative energies from (T 0 ) are as accurate as the canonical (T) results of themselves. Unfortunately, in rare cases and in particular for small gap systems, the (T 0 ) approximation breaks down and relative energies show large deviations from the parent canonical CCSD(T) results. To address this problem, an iterative (T) algorithm based on the previous DLPNO-CCSD(T 0 ) algorithm has been implemented [abbreviated here as DLPNO-CCSD(T)]. Using triples natural orbitals to represent the virtual spaces for triples amplitudes, storage bottlenecks are avoided. Various carefully designed approximations ease the computational burden such that overall, the increase in the DLPNO-(T) calculation time over DLPNO-(T 0 ) only amounts to a factor of about two (depending on the basis set). Benchmark calculations for the GMTKN30 database show that compared to DLPNO-CCSD(T 0 ), the errors in absolute energies are greatly reduced and relative energies are moderately improved. The particularly problematic case of cumulene chains of increasing lengths is also successfully addressed by DLPNO-CCSD(T).

Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)

NASA Astrophysics Data System (ADS)

Guo, Yang; Riplinger, Christoph; Becker, Ute; Liakos, Dimitrios G.; Minenkov, Yury; Cavallo, Luigi; Neese, Frank

2018-01-01

In this communication, an improved perturbative triples correction (T) algorithm for domain based local pair-natural orbital singles and doubles coupled cluster (DLPNO-CCSD) theory is reported. In our previous implementation, the semi-canonical approximation was used and linear scaling was achieved for both the DLPNO-CCSD and (T) parts of the calculation. In this work, we refer to this previous method as DLPNO-CCSD(T0) to emphasize the semi-canonical approximation. It is well-established that the DLPNO-CCSD method can predict very accurate absolute and relative energies with respect to the parent canonical CCSD method. However, the (T0) approximation may introduce significant errors in absolute energies as the triples correction grows up in magnitude. In the majority of cases, the relative energies from (T0) are as accurate as the canonical (T) results of themselves. Unfortunately, in rare cases and in particular for small gap systems, the (T0) approximation breaks down and relative energies show large deviations from the parent canonical CCSD(T) results. To address this problem, an iterative (T) algorithm based on the previous DLPNO-CCSD(T0) algorithm has been implemented [abbreviated here as DLPNO-CCSD(T)]. Using triples natural orbitals to represent the virtual spaces for triples amplitudes, storage bottlenecks are avoided. Various carefully designed approximations ease the computational burden such that overall, the increase in the DLPNO-(T) calculation time over DLPNO-(T0) only amounts to a factor of about two (depending on the basis set). Benchmark calculations for the GMTKN30 database show that compared to DLPNO-CCSD(T0), the errors in absolute energies are greatly reduced and relative energies are moderately improved. The particularly problematic case of cumulene chains of increasing lengths is also successfully addressed by DLPNO-CCSD(T).

Numerical methods of solving a system of multi-dimensional nonlinear equations of the diffusion type

NASA Technical Reports Server (NTRS)

Agapov, A. V.; Kolosov, B. I.

1979-01-01

The principles of conservation and stability of difference schemes achieved using the iteration control method were examined. For the schemes obtained of the predictor-corrector type, the conversion was proved for the control sequences of approximate solutions to the precise solutions in the Sobolev metrics. Algorithms were developed for reducing the differential problem to integral relationships, whose solution methods are known, were designed. The algorithms for the problem solution are classified depending on the non-linearity of the diffusion coefficients, and practical recommendations for their effective use are given.

Non-Markovian optimal sideband cooling

NASA Astrophysics Data System (ADS)

Triana, Johan F.; Pachon, Leonardo A.

2018-04-01

Optimal control theory is applied to sideband cooling of nano-mechanical resonators. The formulation described here makes use of exact results derived by means of the path-integral approach of quantum dynamics, so that no approximation is invoked. It is demonstrated that the intricate interplay between time-dependent fields and structured thermal bath may lead to improve results of the sideband cooling by an order of magnitude. Cooling is quantified by means of the mean number of phonons of the mechanical modes as well as by the von Neumann entropy. Potencial extension to non-linear systems, by means of semiclassical methods, is briefly discussed.

Topics in spectral methods

NASA Technical Reports Server (NTRS)

Gottlieb, D.; Turkel, E.

1985-01-01

After detailing the construction of spectral approximations to time-dependent mixed initial boundary value problems, a study is conducted of differential equations of the form 'partial derivative of u/partial derivative of t = Lu + f', where for each t, u(t) belongs to a Hilbert space such that u satisfies homogeneous boundary conditions. For the sake of simplicity, it is assumed that L is an unbounded, time-independent linear operator. Attention is given to Fourier methods of both Galerkin and pseudospectral method types, the Galerkin method, the pseudospectral Chebyshev and Legendre methods, the error equation, hyperbolic partial differentiation equations, and time discretization and iterative methods.

Volume of the steady-state space of financial flows in a monetary stock-flow-consistent model

NASA Astrophysics Data System (ADS)

Hazan, Aurélien

2017-05-01

We show that a steady-state stock-flow consistent macro-economic model can be represented as a Constraint Satisfaction Problem (CSP). The set of solutions is a polytope, which volume depends on the constraints applied and reveals the potential fragility of the economic circuit, with no need to study the dynamics. Several methods to compute the volume are compared, inspired by operations research methods and the analysis of metabolic networks, both exact and approximate. We also introduce a random transaction matrix, and study the particular case of linear flows with respect to money stocks.

Terahertz time-domain spectroscopy of chondroitin sulfate

PubMed Central

Shi, Changcheng; Ma, Yuting; Zhang, Jin; Wei, Dongshan; Wang, Huabin; Peng, Xiaoyu; Tang, Mingjie; Yan, Shihan; Zuo, Guokun; Du, Chunlei; Cui, Hongliang

2018-01-01

Chondroitin sulfate (CS), derived from cartilage tissues, is an important type of biomacromolecule. In this paper, the terahertz time-domain spectroscopy (THz-TDS) was investigated as a potential method for content detection of CS. With the increase of the CS content, the THz absorption coefficients of the CS/polyethylene mixed samples linearly increase. The refractive indices of the mixed samples also increase when the CS content increases. The extinction coefficient of CS demonstrates the THz frequency dependence to be approximately the power of 1.4, which can be explained by the effects of CS granular solids on THz scattering. PMID:29541526

Vibrational and Thermal Properties of Oxyanionic Crystals

NASA Astrophysics Data System (ADS)

Korabel'nikov, D. V.

2018-03-01

The vibrational and thermal properties of dolomite and alkali chlorates and perchlorates were studied in the gradient approximation of density functional theory using the method of a linear combination of atomic orbitals (LCAO). Long-wave vibration frequencies, IR and Raman spectra, and mode Gruneisen parameters were calculated. Equation-of-state parameters, thermodynamic potentials, entropy, heat capacity, and thermal expansion coefficient were also determined. The thermal expansion coefficient of dolomite was established to be much lower than for chlorates and perchlorates. The temperature dependence of the heat capacity at T > 200 K was shown to be generally governed by intramolecular vibrations.

Linear approximations of nonlinear systems

NASA Technical Reports Server (NTRS)

Hunt, L. R.; Su, R.

1983-01-01

The development of a method for designing an automatic flight controller for short and vertical take off aircraft is discussed. This technique involves transformations of nonlinear systems to controllable linear systems and takes into account the nonlinearities of the aircraft. In general, the transformations cannot always be given in closed form. Using partial differential equations, an approximate linear system called the modified tangent model was introduced. A linear transformation of this tangent model to Brunovsky canonical form can be constructed, and from this the linear part (about a state space point x sub 0) of an exact transformation for the nonlinear system can be found. It is shown that a canonical expansion in Lie brackets about the point x sub 0 yields the same modified tangent model.

Oscillatory Reduction in Option Pricing Formula Using Shifted Poisson and Linear Approximation

NASA Astrophysics Data System (ADS)

Nur Rachmawati, Ro'fah; Irene; Budiharto, Widodo

2014-03-01

Option is one of derivative instruments that can help investors improve their expected return and minimize the risks. However, the Black-Scholes formula is generally used in determining the price of the option does not involve skewness factor and it is difficult to apply in computing process because it produces oscillation for the skewness values close to zero. In this paper, we construct option pricing formula that involve skewness by modified Black-Scholes formula using Shifted Poisson model and transformed it into the form of a Linear Approximation in the complete market to reduce the oscillation. The results are Linear Approximation formula can predict the price of an option with very accurate and successfully reduce the oscillations in the calculation processes.

Optimal distribution of integration time for intensity measurements in degree of linear polarization polarimetry.

PubMed

Li, Xiaobo; Hu, Haofeng; Liu, Tiegen; Huang, Bingjing; Song, Zhanjie

2016-04-04

We consider the degree of linear polarization (DOLP) polarimetry system, which performs two intensity measurements at orthogonal polarization states to estimate DOLP. We show that if the total integration time of intensity measurements is fixed, the variance of the DOLP estimator depends on the distribution of integration time for two intensity measurements. Therefore, by optimizing the distribution of integration time, the variance of the DOLP estimator can be decreased. In this paper, we obtain the closed-form solution of the optimal distribution of integration time in an approximate way by employing Delta method and Lagrange multiplier method. According to the theoretical analyses and real-world experiments, it is shown that the variance of the DOLP estimator can be decreased for any value of DOLP. The method proposed in this paper can effectively decrease the measurement variance and thus statistically improve the measurement accuracy of the polarimetry system.

An investigation of the SNS Josephson junction as a three-terminal device. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Meissner, H.; Prans, G. P.

1973-01-01

A particular phenomenon of the SNS Josephson junction was investigated; i.e., control by a current entering the normal region and leaving through one of the superconducting regions. The effect of the control current on the junction was found to be dependent upon the ration of the resistances of the two halves of the N layer. A low frequency, lumped, nonlinear model was proposed to describe the electrical characteristics of the device, and a method was developed to plot the dynamic junction resistance as a function of junction current. The effective thermal noise temperature of the sample was determined. Small signal linearized analysis of the device suggests its use as an impedance transformer, although geometric limitations must be overcome. Linear approximation indicates that it is reciprocal and no power gain is possible. It is felt that, with suitable metallurgical and geometrical improvements, the device has promise to become a superconducting transistor.

Thermal effects in rapid directional solidification - Linear theory

NASA Technical Reports Server (NTRS)

Huntley, D. A.; Davis, S. H.

1993-01-01

We study the morphological instability of the planar solid/liquid interface for a unidirectionally-solidified dilute binary mixture. We use a model developed by Boettinger et al. (1985, 1986), Aziz (1982), and Jackson et al. (1980), which allows for nonequilibrium effects on the interface through velocity-dependent segregation and attachment kinetics. Two types of instabilities are found in the linear stability analysis: (1) a cellular instability, and (2) an oscillatory instability driven by disequilibrium effects. Merchant and Davis (1990) characterized these instabilities subject to the frozen-temperature approximation (FTA). The present work relaxes the FTA by including the effects of latent heat and the full temperature distribution. Thermal effects slightly postpone the onset of the cellular instability but dramatically postpone the onset of the oscillatory instability; however, the absolute-stability conditions, at which at high speed the cellular and oscillatory instabilities are suppressed, remain unchanged from the FTA.

Influence of the local-spin-density correlation functional on the stability of bcc ferromagnetic iron

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

Singh, D.; Clougherty, D.P.; MacLaren, J.M.

1991-10-01

The influence of local-spin-dependent correlation effects on the predicted stable ground-state phase of iron is reexamined with use of general-potential linearized augmented-plane-wave calculations. Differences in the form of the Vosko-Wilk-Nusair (VWN) local-spin-density functional used in previous studies are noted, since in previous studies significant additional approximations were made with respect to those of Vosko, Wilk, and Nusan (Can. J. Phys. 58, 1200 (1980)) and of MacLaren, Clougherty, and Albers (Phys. Rev. B 42, 3205 (1990)). While the results of previous linear muffin-tin orbital calculations using the VWN functional predict a bcc ferromagnetic ground state, the present calculations show that themore » VWN spin-correlation effects fail to stabilize a bcc ground state. Considerable sensitivity to the form of the spin interpolation is found.« less

The effects of the Asselin time filter on numerical solutions to the linearized shallow-water wave equations

NASA Technical Reports Server (NTRS)

Schlesinger, R. E.; Johnson, D. R.; Uccellini, L. W.

1983-01-01

In the present investigation, a one-dimensional linearized analysis is used to determine the effect of Asselin's (1972) time filter on both the computational stability and phase error of numerical solutions for the shallow water wave equations, in cases with diffusion but without rotation. An attempt has been made to establish the approximate optimal values of the filtering parameter nu for each of the 'lagged', Dufort-Frankel, and Crank-Nicholson diffusion schemes, suppressing the computational wave mode without materially altering the physical wave mode. It is determined that in the presence of diffusion, the optimum filter length depends on whether waves are undergoing significant propagation. When moderate propagation is present, with or without diffusion, the Asselin filter has little effect on the spatial phase lag of the physical mode for the leapfrog advection scheme of the three diffusion schemes considered.

Analytical scalings of the linear Richtmyer-Meshkov instability

NASA Astrophysics Data System (ADS)

Cobos, Francisco; Wouchuk, Juan Gustavo

2017-11-01

In the linear Richtmyer-Meshkov instability (RMI), hydrodynamic perturbations are generated behind the transmitted and reflected rippled fronts. The contact surface reaches an asymptotic normal velocity and two different tangential velocities at each side, which are always different for moderate to strong levels of compression, depending on the amount of vorticity generated by the corrugated shocks. We show analytical scaling laws for the ripple velocity (δvi∞)in different physical limits and approximate formulas are provided, valid for arbitrary initial pre-shock parameters. An asymptotic growth for the contact surface ripple of the form ψi(t) ψ∞ + δ vi∞t is obtained. The quantity ψ∞ is in general different from the initial post-shock ripple amplitude, in agreement with the early finding of. Comparison to simulations and experimental work is shown. F.C. acknowledges support from UCLM for a predoctoral fellowship. This work has received support from MINECO, JCCM, and UCLM (Spain).

Spatial-frequency Fourier polarimetry of the complex degree of mutual anisotropy of linear and circular birefringence in the diagnostics of oncological changes in morphological structure of biological tissues

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

Ushenko, Yu A; Gorskii, M P; Dubolazov, A V

2012-08-31

Theory of polarisation-correlation analysis of laser images of histological sections of biopsy material from cervix tissue based on spatial frequency selection of linear and circular birefringence mechanisms is formulated. Comparative results of measuring the coordinate distributions of the complex degree of mutual anisotropy (CDMA), produced by fibrillar networks formed by myosin and collagen fibres of cervix tissue in different pathological conditions, namely, pre-cancer (dysplasia) and cancer (adenocarcinoma), are presented. The values and variation ranges of statistical (moments of the first - fourth order), correlation (excess-autocorrelation functions), and fractal (slopes of approximating curves and dispersion of extrema of logarithmic dependences ofmore » power spectra) parameters of the CDMA coordinate distributions are studied. Objective criteria for pathology diagnostics and differentiation of its severity degree are determined. (image processing)« less

The Oxidation of AlN in Dry and Wet Oxygen

NASA Technical Reports Server (NTRS)

Opila, Elizabeth; Humphrey, Donald; Jacobson, Nathan; Yoshio, Tetsuo; Oda, Kohei

1998-01-01

The oxidation kinetics of AlN containing 3.5 wt% Y2O3 were studied by thermogravimetric analysis in dry oxygen and 10% H2O/balance oxygen at temperatures between 1000 and 1200 C for times between 48 and 100 h. The oxidation kinetics for AlN in dry oxygen were parabolic and of approximately the same magnitude and temperature dependence as other alumina forming materials. In this case, diffusion of oxygen and/or aluminum through the alumina scale is the rate limiting mechanism. The oxidation kinetics for AlN in wet oxygen were nearly linear and much more rapid than rates observed in dry oxygen. Numerous micropores were observed in the alumina formed on AIN in wet oxygen. These pores provide a fast path for oxygen transport. The linear kinetics observed in this case suggest that the interface reaction rate of AlN with wet oxygen is the oxidation rate limiting step.

Spatial-frequency Fourier polarimetry of the complex degree of mutual anisotropy of linear and circular birefringence in the diagnostics of oncological changes in morphological structure of biological tissues

NASA Astrophysics Data System (ADS)

Ushenko, Yu A.; Gorskii, M. P.; Dubolazov, A. V.; Motrich, A. V.; Ushenko, V. A.; Sidor, M. I.

2012-08-01

Theory of polarisation-correlation analysis of laser images of histological sections of biopsy material from cervix tissue based on spatial frequency selection of linear and circular birefringence mechanisms is formulated. Comparative results of measuring the coordinate distributions of the complex degree of mutual anisotropy (CDMA), produced by fibrillar networks formed by myosin and collagen fibres of cervix tissue in different pathological conditions, namely, pre-cancer (dysplasia) and cancer (adenocarcinoma), are presented. The values and variation ranges of statistical (moments of the first — fourth order), correlation (excess-autocorrelation functions), and fractal (slopes of approximating curves and dispersion of extrema of logarithmic dependences of power spectra) parameters of the CDMA coordinate distributions are studied. Objective criteria for pathology diagnostics and differentiation of its severity degree are determined.

Imaging skeletal muscle with linearly polarized light

NASA Astrophysics Data System (ADS)

Li, X.; Ranasinghesagara, J.; Yao, G.

2008-04-01

We developed a polarization sensitive imaging system that can acquire reflectance images in turbid samples using incident light of different polarization states. Using this system, we studied polarization imaging on bovine sternomandibularis muscle strips using light of two orthogonal linearly polarized states. We found the obtained polarization sensitive reflectance images had interesting patterns depending on the polarization states. In addition, we computed four elements of the Mueller matrix from the acquired images. As a comparison, we also obtained polarization images of a 20% Intralipid"R" solution and compared the results with those from muscle samples. We found that the polarization imaging patterns from Intralipid solution can be described with a model based on single-scattering approximation. However, the polarization images in muscle had distinct patterns and can not be explained by this simple model. These results implied that the unique structural properties of skeletal muscle play important roles in modulating the propagation of polarized light.

Essential uncontrollability of discrete linear, time-invariant, dynamical systems

NASA Technical Reports Server (NTRS)

Cliff, E. M.

1975-01-01

The concept of a 'best approximating m-dimensional subspace' for a given set of vectors in n-dimensional whole space is introduced. Such a subspace is easily described in terms of the eigenvectors of an associated Gram matrix. This technique is used to approximate an achievable set for a discrete linear time-invariant dynamical system. This approximation characterizes the part of the state space that may be reached using modest levels of control. If the achievable set can be closely approximated by a proper subspace of the whole space then the system is 'essentially uncontrollable'. The notion finds application in studies of failure-tolerant systems, and in decoupling.

Data-driven discovery of Koopman eigenfunctions using deep learning

NASA Astrophysics Data System (ADS)

Lusch, Bethany; Brunton, Steven L.; Kutz, J. Nathan

2017-11-01

Koopman operator theory transforms any autonomous non-linear dynamical system into an infinite-dimensional linear system. Since linear systems are well-understood, a mapping of non-linear dynamics to linear dynamics provides a powerful approach to understanding and controlling fluid flows. However, finding the correct change of variables remains an open challenge. We present a strategy to discover an approximate mapping using deep learning. Our neural networks find this change of variables, its inverse, and a finite-dimensional linear dynamical system defined on the new variables. Our method is completely data-driven and only requires measurements of the system, i.e. it does not require derivatives or knowledge of the governing equations. We find a minimal set of approximate Koopman eigenfunctions that are sufficient to reconstruct and advance the system to future states. We demonstrate the method on several dynamical systems.

Mode coupling and wave particle interactions for unstable ion acoustic waves

NASA Technical Reports Server (NTRS)

Martin, P.; Fried, B. D.

1972-01-01

A theory for the spatial development of linearly unstable, coupled waves is presented in which both quasi-linear and mode coupling effects are treated in a self-consistent manner. Steady state excitation of two waves is assumed at the boundary x = 0, the plasma being homogeneous in the y and z directions. Coupled equations are derived for the x dependence of the amplitudes of the primary waves and the secondary waves, correct through second order terms in the wave amplitude, but without usual approximation of small growth rates. This general formalism is then applied to the case of coupled ion acoustic waves driven unstable by an ion beam streaming in the direction of the x axis. If the modifications of the ion beam by the waves (quasi-linear effects) are ignored, explosive instabilities (singularities in all of the amplitudes at finite x) are found, even when all of the waves have positive energy. If these wave-particle interactions are included, the solutions are no longer singular, and all of the amplitudes have finite maxima.

Spectral (Finite) Volume Method for Conservation Laws on Unstructured Grids II: Extension to Two Dimensional Scalar Equation

NASA Technical Reports Server (NTRS)

Wang, Z. J.; Liu, Yen; Kwak, Dochan (Technical Monitor)

2002-01-01

The framework for constructing a high-order, conservative Spectral (Finite) Volume (SV) method is presented for two-dimensional scalar hyperbolic conservation laws on unstructured triangular grids. Each triangular grid cell forms a spectral volume (SV), and the SV is further subdivided into polygonal control volumes (CVs) to supported high-order data reconstructions. Cell-averaged solutions from these CVs are used to reconstruct a high order polynomial approximation in the SV. Each CV is then updated independently with a Godunov-type finite volume method and a high-order Runge-Kutta time integration scheme. A universal reconstruction is obtained by partitioning all SVs in a geometrically similar manner. The convergence of the SV method is shown to depend on how a SV is partitioned. A criterion based on the Lebesgue constant has been developed and used successfully to determine the quality of various partitions. Symmetric, stable, and convergent linear, quadratic, and cubic SVs have been obtained, and many different types of partitions have been evaluated. The SV method is tested for both linear and non-linear model problems with and without discontinuities.

Gröbner Bases and Generation of Difference Schemes for Partial Differential Equations

NASA Astrophysics Data System (ADS)

Gerdt, Vladimir P.; Blinkov, Yuri A.; Mozzhilkin, Vladimir V.

2006-05-01

In this paper we present an algorithmic approach to the generation of fully conservative difference schemes for linear partial differential equations. The approach is based on enlargement of the equations in their integral conservation law form by extra integral relations between unknown functions and their derivatives, and on discretization of the obtained system. The structure of the discrete system depends on numerical approximation methods for the integrals occurring in the enlarged system. As a result of the discretization, a system of linear polynomial difference equations is derived for the unknown functions and their partial derivatives. A difference scheme is constructed by elimination of all the partial derivatives. The elimination can be achieved by selecting a proper elimination ranking and by computing a Gröbner basis of the linear difference ideal generated by the polynomials in the discrete system. For these purposes we use the difference form of Janet-like Gröbner bases and their implementation in Maple. As illustration of the described methods and algorithms, we construct a number of difference schemes for Burgers and Falkowich-Karman equations and discuss their numerical properties.

Bayesian linearized amplitude-versus-frequency inversion for quality factor and its application

NASA Astrophysics Data System (ADS)

Yang, Xinchao; Teng, Long; Li, Jingnan; Cheng, Jiubing

2018-06-01

We propose a straightforward attenuation inversion method by utilizing the amplitude-versus-frequency (AVF) characteristics of seismic data. A new linearized approximation equation of the angle and frequency dependent reflectivity in viscoelastic media is derived. We then use the presented equation to implement the Bayesian linear AVF inversion. The inversion result includes not only P-wave and S-wave velocities, and densities, but also P-wave and S-wave quality factors. Synthetic tests show that the AVF inversion surpasses the AVA inversion for quality factor estimation. However, a higher signal noise ratio (SNR) of data is necessary for the AVF inversion. To show its feasibility, we apply both the new Bayesian AVF inversion and conventional AVA inversion to a tight gas reservoir data in Sichuan Basin in China. Considering the SNR of the field data, a combination of AVF inversion for attenuation parameters and AVA inversion for elastic parameters is recommended. The result reveals that attenuation estimations could serve as a useful complement in combination with the AVA inversion results for the detection of tight gas reservoirs.

A unified model of density limit in fusion plasmas

NASA Astrophysics Data System (ADS)

Zanca, P.; Sattin, F.; Escande, D. F.; Pucella, G.; Tudisco, O.

2017-05-01

In this work we identify by analytical and numerical means the conditions for the existence of a magnetic and thermal equilibrium of a cylindrical plasma, in the presence of Ohmic and/or additional power sources, heat conduction and radiation losses by light impurities. The boundary defining the solutions’ space having realistic temperature profile with small edge value takes mathematically the form of a density limit (DL). Compared to previous similar analyses the present work benefits from dealing with a more accurate set of equations. This refinement is elementary, but decisive, since it discloses a tenuous dependence of the DL on the thermal transport for configurations with an applied electric field. Thanks to this property, the DL scaling law is recovered almost identical for two largely different devices such as the ohmic tokamak and the reversed field pinch. In particular, they have in common a Greenwald scaling, linearly depending on the plasma current, quantitatively consistent with experimental results. In the tokamak case the DL dependence on any additional heating approximately follows a 0.5 power law, which is compatible with L-mode experiments. For a purely externally heated configuration, taken as a cylindrical approximation of the stellarator, the DL dependence on transport is found stronger. By adopting suitable transport models, DL takes on a Sudo-like form, in fair agreement with LHD experiments. Overall, the model provides a good zeroth-order quantitative description of the DL, applicable to widely different configurations.

Exponents of non-linear clustering in scale-free one-dimensional cosmological simulations

NASA Astrophysics Data System (ADS)

Benhaiem, David; Joyce, Michael; Sicard, François

2013-03-01

One-dimensional versions of dissipationless cosmological N-body simulations have been shown to share many qualitative behaviours of the three-dimensional problem. Their interest lies in the fact that they can resolve a much greater range of time and length scales, and admit exact numerical integration. We use such models here to study how non-linear clustering depends on initial conditions and cosmology. More specifically, we consider a family of models which, like the three-dimensional Einstein-de Sitter (EdS) model, lead for power-law initial conditions to self-similar clustering characterized in the strongly non-linear regime by power-law behaviour of the two-point correlation function. We study how the corresponding exponent γ depends on the initial conditions, characterized by the exponent n of the power spectrum of initial fluctuations, and on a single parameter κ controlling the rate of expansion. The space of initial conditions/cosmology divides very clearly into two parts: (1) a region in which γ depends strongly on both n and κ and where it agrees very well with a simple generalization of the so-called stable clustering hypothesis in three dimensions; and (2) a region in which γ is more or less independent of both the spectrum and the expansion of the universe. The boundary in (n, κ) space dividing the `stable clustering' region from the `universal' region is very well approximated by a `critical' value of the predicted stable clustering exponent itself. We explain how this division of the (n, κ) space can be understood as a simple physical criterion which might indeed be expected to control the validity of the stable clustering hypothesis. We compare and contrast our findings to results in three dimensions, and discuss in particular the light they may throw on the question of `universality' of non-linear clustering in this context.

Quantum criticality and nodal superconductivity in the FeAs-based superconductor KFe2As2.

PubMed

Dong, J K; Zhou, S Y; Guan, T Y; Zhang, H; Dai, Y F; Qiu, X; Wang, X F; He, Y; Chen, X H; Li, S Y

2010-02-26

The in-plane resistivity rho and thermal conductivity kappa of the FeAs-based superconductor KFe2As2 single crystal were measured down to 50 mK. We observe non-Fermi-liquid behavior rho(T) approximately T{1.5} at H{c{2}}=5 T, and the development of a Fermi liquid state with rho(T) approximately T{2} when further increasing the field. This suggests a field-induced quantum critical point, occurring at the superconducting upper critical field H{c{2}}. In zero field, there is a large residual linear term kappa{0}/T, and the field dependence of kappa_{0}/T mimics that in d-wave cuprate superconductors. This indicates that the superconducting gaps in KFe2As2 have nodes, likely d-wave symmetry. Such a nodal superconductivity is attributed to the antiferromagnetic spin fluctuations near the quantum critical point.

Adjoints and Low-rank Covariance Representation

NASA Technical Reports Server (NTRS)

Tippett, Michael K.; Cohn, Stephen E.

2000-01-01

Quantitative measures of the uncertainty of Earth System estimates can be as important as the estimates themselves. Second moments of estimation errors are described by the covariance matrix, whose direct calculation is impractical when the number of degrees of freedom of the system state is large. Ensemble and reduced-state approaches to prediction and data assimilation replace full estimation error covariance matrices by low-rank approximations. The appropriateness of such approximations depends on the spectrum of the full error covariance matrix, whose calculation is also often impractical. Here we examine the situation where the error covariance is a linear transformation of a forcing error covariance. We use operator norms and adjoints to relate the appropriateness of low-rank representations to the conditioning of this transformation. The analysis is used to investigate low-rank representations of the steady-state response to random forcing of an idealized discrete-time dynamical system.

Anomalous transport from holography. Part I

NASA Astrophysics Data System (ADS)

Bu, Yanyan; Lublinsky, Michael; Sharon, Amir

2016-11-01

We revisit the transport properties induced by the chiral anomaly in a charged plasma holographically dual to anomalous U(1) V ×U(1) A Maxwell theory in Schwarzschild-AdS5. Off-shell constitutive relations for vector and axial currents are derived using various approximations generalising most of known in the literature anomaly-induced phenomena and revealing some new ones. In a weak external field approximation, the constitutive relations have all-order derivatives resummed into six momenta-dependent transport co-efficient functions: the diffusion, the electric/magnetic conductivity, and three anomaly induced functions. The latter generalise the chiral magnetic and chiral separation effects. Nonlinear transport is studied assuming presence of constant background external fields. The chiral magnetic effect, including all order nonlinearity in magnetic field, is proven to be exact when the magnetic field is the only external field that is turned on. Non-linear corrections to the constitutive relations due to electric and axial external fields are computed.

Modeling subharmonic response from contrast microbubbles as a function of ambient static pressure

PubMed Central

Katiyar, Amit; Sarkar, Kausik; Forsberg, Flemming

2011-01-01

Variation of subharmonic response from contrast microbubbles with ambient pressure is numerically investigated for non-invasive monitoring of organ-level blood pressure. Previously, several contrast microbubbles both in vitro and in vivo registered approximately linear (5–15 dB) subharmonic response reduction with 188 mm Hg change in ambient pressure. In contrast, simulated subharmonic response from a single microbubble is seen here to either increase or decrease with ambient pressure. This is shown using the code BUBBLESIM for encapsulated microbubbles, and then the underlying dynamics is investigated using a free bubble model. The ratio of the excitation frequency to the natural frequency of the bubble is the determining parameter—increasing ambient pressure increases natural frequency thereby changing this ratio. For frequency ratio below a lower critical value, increasing ambient pressure monotonically decreases subharmonic response. Above an upper critical value of the same ratio, increasing ambient pressure increases subharmonic response; in between, the subharmonic variation is non-monotonic. The precise values of frequency ratio for these three different trends depend on bubble radius and excitation amplitude. The modeled increase or decrease of subharmonic with ambient pressure, when one happens, is approximately linear only for certain range of excitation levels. Possible reasons for discrepancies between model and previous experiments are discussed. PMID:21476688

ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy

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

Mardirossian, Narbe; Head-Gordon, Martin

2013-12-18

A 10-parameter, range-separated hybrid (RSH), generalized gradient approximation (GGA) density functional with nonlocal correlation (VV10) is presented in this paper. Instead of truncating the B97-type power series inhomogeneity correction factors (ICF) for the exchange, same-spin correlation, and opposite-spin correlation functionals uniformly, all 16 383 combinations of the linear parameters up to fourth order (m = 4) are considered. These functionals are individually fit to a training set and the resulting parameters are validated on a primary test set in order to identify the 3 optimal ICF expansions. Through this procedure, it is discovered that the functional that performs best onmore » the training and primary test sets has 7 linear parameters, with 3 additional nonlinear parameters from range-separation and nonlocal correlation. The resulting density functional, ωB97X-V, is further assessed on a secondary test set, the parallel-displaced coronene dimer, as well as several geometry datasets. Finally and furthermore, the basis set dependence and integration grid sensitivity of ωB97X-V are analyzed and documented in order to facilitate the use of the functional.« less

Quasi-linear diffusion coefficients for highly oblique whistler mode waves

NASA Astrophysics Data System (ADS)

Albert, J. M.

2017-05-01

Quasi-linear diffusion coefficients are considered for highly oblique whistler mode waves, which exhibit a singular "resonance cone" in cold plasma theory. The refractive index becomes both very large and rapidly varying as a function of wave parameters, making the diffusion coefficients difficult to calculate and to characterize. Since such waves have been repeatedly observed both outside and inside the plasmasphere, this problem has received renewed attention. Here the diffusion equations are analytically treated in the limit of large refractive index μ. It is shown that a common approximation to the refractive index allows the associated "normalization integral" to be evaluated in closed form and that this can be exploited in the numerical evaluation of the exact expression. The overall diffusion coefficient formulas for large μ are then reduced to a very simple form, and the remaining integral and sum over resonances are approximated analytically. These formulas are typically written for a modeled distribution of wave magnetic field intensity, but this may not be appropriate for highly oblique whistlers, which become quasi-electrostatic. Thus, the analysis is also presented in terms of wave electric field intensity. The final results depend strongly on the maximum μ (or μ∥) used to model the wave distribution, so realistic determination of these limiting values becomes paramount.

Effects of 3-D clouds on atmospheric transmission of solar radiation: Cloud type dependencies inferred from A-train satellite data

NASA Astrophysics Data System (ADS)

Ham, Seung-Hee; Kato, Seiji; Barker, Howard W.; Rose, Fred G.; Sun-Mack, Sunny

2014-01-01

Three-dimensional (3-D) effects on broadband shortwave top of atmosphere (TOA) nadir radiance, atmospheric absorption, and surface irradiance are examined using 3-D cloud fields obtained from one hour's worth of A-train satellite observations and one-dimensional (1-D) independent column approximation (ICA) and full 3-D radiative transfer simulations. The 3-D minus ICA differences in TOA nadir radiance multiplied by π, atmospheric absorption, and surface downwelling irradiance, denoted as πΔI, ΔA, and ΔT, respectively, are analyzed by cloud type. At the 1 km pixel scale, πΔI, ΔA, and ΔT exhibit poor spatial correlation. Once averaged with a moving window, however, better linear relationships among πΔI, ΔA, and ΔT emerge, especially for moving windows larger than 5 km and large θ0. While cloud properties and solar geometry are shown to influence the relationships amongst πΔI, ΔA, and ΔT, once they are separated by cloud type, their linear relationships become much stronger. This suggests that ICA biases in surface irradiance and atmospheric absorption can be approximated based on ICA biases in nadir radiance as a function of cloud type.

Localized-surface-plasmon enhanced emission from porous silicon by gold nanoparticles.

PubMed

Wang, Hui; An, Zhenghua; Ren, Qijun; Wang, Hengliang; Mao, Feilong; Chen, Zhanghai; Shen, Xuechu

2011-12-01

The porous silicon (PS) samples, decorated by Au nanoparticles (NPs) possessing localized-surface-plasmon (LSP) resonance, are prepared by the conventional anodization method. Photoluminescence (PL) is studied systematically, in particular, its dependence on the excitation power. It is found that undecorated PS samples exhibit a saturation behavior in PL intensity with increasing the pumping laser power, while the luminescence of Au-decorated PS hybrid samples have a purely linear dependence on the excitation power. In the linear response region of PS samples, addition of metal NPs layer moderately suppresses the emission while, in the saturation region, the net emission is enhanced by approximately up to 4-fold. Several possible mechanisms are discussed. We believe that the observed PL enhancement in saturation region is dominantly due to the resonant coupling between the LSP of Au NPs and the electronic excitation of PS, which inhibits the nonradiative Auger recombination process at high excitation power. These results indicate that the plasmon effect could be useful for designing even more efficient optoelectronic devices such as super bright light emitting devices and solar cells with high efficiencies. Despite many challenges, Au NPs can potentially be applied to introduce LSP resonance for the future silicon-based optoelectronics or photonics.

A Preclinical Population Pharmacokinetic Model for Anti‐CD20/CD3 T‐Cell‐Dependent Bispecific Antibodies

PubMed Central

Reyes, Arthur; Sun, Liping L.; Cheu, Melissa; Oldendorp, Amy; Ramanujan, Saroja; Stefanich, Eric G.

2018-01-01

Abstract CD20 is a cell‐surface receptor expressed by healthy and neoplastic B cells and is a well‐established target for biologics used to treat B‐cell malignancies. Pharmacokinetic (PK) and pharmacodynamic (PD) data for the anti‐CD20/CD3 T‐cell‐dependent bispecific antibody BTCT4465A were collected in transgenic mouse and nonhuman primate (NHP) studies. Pronounced nonlinearity in drug elimination was observed in the murine studies, and time‐varying, nonlinear PK was observed in NHPs, where three empirical drug elimination terms were identified using a mixed‐effects modeling approach: i) a constant nonsaturable linear clearance term (7 mL/day/kg); ii) a rapidly decaying time‐varying, linear clearance term (t½ = 1.6 h); and iii) a slowly decaying time‐varying, nonlinear clearance term (t½ = 4.8 days). The two time‐varying drug elimination terms approximately track with time scales of B‐cell depletion and T‐cell migration/expansion within the central blood compartment. The mixed‐effects NHP model was scaled to human and prospective clinical simulations were generated. PMID:29351372

Model for threading dislocations in metamorphic tandem solar cells on GaAs (001) substrates

NASA Astrophysics Data System (ADS)

Song, Yifei; Kujofsa, Tedi; Ayers, John E.

2018-02-01

We present an approximate model for the threading dislocations in III-V heterostructures and have applied this model to study the defect behavior in metamorphic triple-junction solar cells. This model represents a new approach in which the coefficient for second-order threading dislocation annihilation and coalescence reactions is considered to be determined by the length of misfit dislocations, LMD, in the structure, and we therefore refer to it as the LMD model. On the basis of this model we have compared the average threading dislocation densities in the active layers of triple junction solar cells using linearly-graded buffers of varying thicknesses as well as S-graded (complementary error function) buffers with varying thicknesses and standard deviation parameters. We have shown that the threading dislocation densities in the active regions of metamorphic tandem solar cells depend not only on the thicknesses of the buffer layers but on their compositional grading profiles. The use of S-graded buffer layers instead of linear buffers resulted in lower threading dislocation densities. Moreover, the threading dislocation densities depended strongly on the standard deviation parameters used in the S-graded buffers, with smaller values providing lower threading dislocation densities.

Applying Agrep to r-NSA to solve multiple sequences approximate matching.

PubMed

Ni, Bing; Wong, Man-Hon; Lam, Chi-Fai David; Leung, Kwong-Sak

2014-01-01

This paper addresses the approximate matching problem in a database consisting of multiple DNA sequences, where the proposed approach applies Agrep to a new truncated suffix array, r-NSA. The construction time of the structure is linear to the database size, and the computations of indexing a substring in the structure are constant. The number of characters processed in applying Agrep is analysed theoretically, and the theoretical upper-bound can approximate closely the empirical number of characters, which is obtained through enumerating the characters in the actual structure built. Experiments are carried out using (synthetic) random DNA sequences, as well as (real) genome sequences including Hepatitis-B Virus and X-chromosome. Experimental results show that, compared to the straight-forward approach that applies Agrep to multiple sequences individually, the proposed approach solves the matching problem in much shorter time. The speed-up of our approach depends on the sequence patterns, and for highly similar homologous genome sequences, which are the common cases in real-life genomes, it can be up to several orders of magnitude.

Boundary element analysis of corrosion problems for pumps and pipes

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

Miyasaka, M.; Amaya, K.; Kishimoto, K.

1995-12-31

Three-dimensional (3D) and axi-symmetric boundary element methods (BEM) were developed to quantitatively estimate cathodic protection and macro-cell corrosion. For 3D analysis, a multiple-region method (MRM) was developed in addition to a single-region method (SRM). The validity and usefulness of the BEMs were demonstrated by comparing numerical results with experimental data from galvanic corrosion systems of a cylindrical model and a seawater pipe, and from a cathodic protection system of an actual seawater pump. It was shown that a highly accurate analysis could be performed for fluid machines handling seawater with complex 3D fields (e.g. seawater pump) by taking account ofmore » flow rate and time dependencies of polarization curve. Compared to the 3D BEM, the axi-symmetric BEM permitted large reductions in numbers of elements and nodes, which greatly simplified analysis of axi-symmetric fields such as pipes. Computational accuracy and CPU time were compared between analyses using two approximation methods for polarization curves: a logarithmic-approximation method and a linear-approximation method.« less

Discriminant analysis for fast multiclass data classification through regularized kernel function approximation.

PubMed

Ghorai, Santanu; Mukherjee, Anirban; Dutta, Pranab K

2010-06-01

In this brief we have proposed the multiclass data classification by computationally inexpensive discriminant analysis through vector-valued regularized kernel function approximation (VVRKFA). VVRKFA being an extension of fast regularized kernel function approximation (FRKFA), provides the vector-valued response at single step. The VVRKFA finds a linear operator and a bias vector by using a reduced kernel that maps a pattern from feature space into the low dimensional label space. The classification of patterns is carried out in this low dimensional label subspace. A test pattern is classified depending on its proximity to class centroids. The effectiveness of the proposed method is experimentally verified and compared with multiclass support vector machine (SVM) on several benchmark data sets as well as on gene microarray data for multi-category cancer classification. The results indicate the significant improvement in both training and testing time compared to that of multiclass SVM with comparable testing accuracy principally in large data sets. Experiments in this brief also serve as comparison of performance of VVRKFA with stratified random sampling and sub-sampling.

Multichannel dosemeter and Al2O3:C optically stimulated luminescence fibre sensors for use in radiation therapy: evaluation with electron beams.

PubMed

Magne, S; Auger, L; Bordy, J M; de Carlan, L; Isambert, A; Bridier, A; Ferdinand, P; Barthe, J

2008-01-01

This article proposes an innovative multichannel optically stimulated luminescence (OSL) dosemeter for on-line in vivo dose verification in radiation therapy. OSL fibre sensors incorporating small Al(2)O(3):C fibre crystals (TLD(500)) have been tested with an X-ray generator. A reproducible readout procedure should reduce the fading-induced uncertainty ( approximately - 1% per decade). OSL readouts are temperature-dependent [ approximately 0.3% K(-1) when OSL stimulation is performed at the same temperature as irradiation; approximately 0.16% K(-1) after thermalisation (20 degrees C)]. Sensor calibration and depth-dose measurements with electron beams have been performed with a Saturne 43 linear accelerator in reference conditions at CEA-LNHB (ionising radiation reference laboratory in France). Predosed OSL sensors show a good repeatability in multichannel operation and independence versus electron energy in the range (9, 18 MeV). The difference between absorbed doses measured by OSL and an ionisation chamber were within +/-0.9% (for a dose of about 1 Gy) despite a sublinear calibration curve.

Signal dependence of inter-pixel capacitance in hybridized HgCdTe H2RG arrays for use in James Webb space telescope's NIRcam

NASA Astrophysics Data System (ADS)

Donlon, Kevan; Ninkov, Zoran; Baum, Stefi

2016-08-01

Interpixel capacitance (IPC) is a deterministic electronic coupling by which signal generated in one pixel is measured in neighboring pixels. Examination of dark frames from test NIRcam arrays corroborates earlier results and simulations illustrating a signal dependent coupling. When the signal on an individual pixel is larger, the fractional coupling to nearest neighbors is lesser than when the signal is lower. Frames from test arrays indicate a drop in average coupling from approximately 1.0% at low signals down to approximately 0.65% at high signals depending on the particular array in question. The photometric ramifications for this non-uniformity are not fully understood. This non-uniformity intro-duces a non-linearity in the current mathematical model for IPC coupling. IPC coupling has been mathematically formalized as convolution by a blur kernel. Signal dependence requires that the blur kernel be locally defined as a function of signal intensity. Through application of a signal dependent coupling kernel, the IPC coupling can be modeled computationally. This method allows for simultaneous knowledge of the intrinsic parameters of the image scene, the result of applying a constant IPC, and the result of a signal dependent IPC. In the age of sub-pixel precision in astronomy these effects must be properly understood and accounted for in order for the data to accurately represent the object of observation. Implementation of this method is done through python scripted processing of images. The introduction of IPC into simulated frames is accomplished through convolution of the image with a blur kernel whose parameters are themselves locally defined functions of the image. These techniques can be used to enhance the data processing pipeline for NIRcam.

Fourier Transform Infrared Spectroscopy of CF4 on the GEC Reference Cell

NASA Technical Reports Server (NTRS)

Rao, M. V. V. S.; Sharma, S. P.; Meyyappan, M.; Cruden, Brett A.; Arnold, Jim (Technical Monitor)

2001-01-01

Fourier Transform Infrared Spectroscopy (FTIR) has been used to characterize inductively coupled CF4 plasmas in a GEC Reference Cell in-situ In examining these FTIR spectra, several assumptions and approximations of FTIR analysis are addressed. This includes the density dependence of cross-sections, non-linear effects in the addition of overlapping bands and the effect of spatial variations in density and temperature, This analysis demonstrates that temperatures extracted from MR spectra may provide a poor estimate of the true neutral plasma temperature. The FTIR spectra are dominated by unreacted CF, accounting for 40-60% of the gas products. The amount of CF4 consumption is found to have a marked dependence on power, and is nearly independent of pressure in the range of 10-50 mtorr. Small amounts of C2F6 are observed at low power. Also observed are etching products from the quartz window SiF4 COF2 and CO which occur in approximately equal ratios and together account for less than 10% of the gas. The concentrations of these species are nearly independent of pressure. CFx radicals are below the detection limit of this apparatus (approx. 1012/cc).

Polarizabilities and van der Waals C{sub 6} coefficients of fullerenes from an atomistic electrodynamics model: Anomalous scaling with number of carbon atoms

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

Saidi, Wissam A., E-mail: alsaidi@pitt.edu; Norman, Patrick

2016-07-14

The van der Waals C{sub 6} coefficients of fullerenes are shown to exhibit an anomalous dependence on the number of carbon atoms N such that C{sub 6} ∝ N{sup 2.2} as predicted using state-of-the-art quantum mechanical calculations based on fullerenes with small sizes, and N{sup 2.75} as predicted using a classical-metallic spherical-shell approximation of the fullerenes. We use an atomistic electrodynamics model where each carbon atom is described by a polarizable object to extend the quantum mechanical calculations to larger fullerenes. The parameters of this model are optimized to describe accurately the static and complex polarizabilities of the fullerenes bymore » fitting against accurate ab initio calculations. This model shows that C{sub 6} ∝ N{sup 2.8}, which is supportive of the classical-metallic spherical-shell approximation. Additionally, we show that the anomalous dependence of the polarizability on N is attributed to the electric charge term, while the dipole–dipole term scales almost linearly with the number of carbon atoms.« less

Influence of the aggregate state on band structure and optical properties of C60 computed with different methods

NASA Astrophysics Data System (ADS)

Pal, Amrita; Arabnejad, Saeid; Yamashita, Koichi; Manzhos, Sergei

2018-05-01

C60 and C60 based molecules are efficient acceptors and electron transport layers for planar perovskite solar cells. While properties of these molecules are well studied by ab initio methods, those of solid C60, specifically its optical absorption properties, are not. We present a combined density functional theory-Density Functional Tight Binding (DFTB) study of the effect of solid state packing on the band structure and optical absorption of C60. The valence and conduction band edge energies of solid C60 differ on the order of 0.1 eV from single molecule frontier orbital energies. We show that calculations of optical properties using linear response time dependent-DFT(B) or the imaginary part of the dielectric constant (dipole approximation) can result in unrealistically large redshifts in the presence of intermolecular interactions compared to available experimental data. We show that optical spectra computed from the frequency-dependent real polarizability can better reproduce the effect of C60 aggregation on optical absorption, specifically with a generalized gradient approximation functional, and may be more suited to study effects of molecular aggregation.

Stochastic Swift-Hohenberg Equation with Degenerate Linear Multiplicative Noise

NASA Astrophysics Data System (ADS)

Hernández, Marco; Ong, Kiah Wah

2018-03-01

We study the dynamic transition of the Swift-Hohenberg equation (SHE) when linear multiplicative noise acting on a finite set of modes of the dominant linear flow is introduced. Existence of a stochastic flow and a local stochastic invariant manifold for this stochastic form of SHE are both addressed in this work. We show that the approximate reduced system corresponding to the invariant manifold undergoes a stochastic pitchfork bifurcation, and obtain numerical evidence suggesting that this picture is a good approximation for the full system as well.

Finite-dimensional linear approximations of solutions to general irregular nonlinear operator equations and equations with quadratic operators

NASA Astrophysics Data System (ADS)

Kokurin, M. Yu.

2010-11-01

A general scheme for improving approximate solutions to irregular nonlinear operator equations in Hilbert spaces is proposed and analyzed in the presence of errors. A modification of this scheme designed for equations with quadratic operators is also examined. The technique of universal linear approximations of irregular equations is combined with the projection onto finite-dimensional subspaces of a special form. It is shown that, for finite-dimensional quadratic problems, the proposed scheme provides information about the global geometric properties of the intersections of quadrics.

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.

Simulation of water-table aquifers using specified saturated thickness

USGS Publications Warehouse

Sheets, Rodney A.; Hill, Mary C.; Haitjema, Henk M.; Provost, Alden M.; Masterson, John P.

2014-01-01

Simulating groundwater flow in a water-table (unconfined) aquifer can be difficult because the saturated thickness available for flow depends on model-calculated hydraulic heads. It is often possible to realize substantial time savings and still obtain accurate head and flow solutions by specifying an approximate saturated thickness a priori, thus linearizing this aspect of the model. This specified-thickness approximation often relies on the use of the “confined” option in numerical models, which has led to confusion and criticism of the method. This article reviews the theoretical basis for the specified-thickness approximation, derives an error analysis for relatively ideal problems, and illustrates the utility of the approximation with a complex test problem. In the transient version of our complex test problem, the specified-thickness approximation produced maximum errors in computed drawdown of about 4% of initial aquifer saturated thickness even when maximum drawdowns were nearly 20% of initial saturated thickness. In the final steady-state version, the approximation produced maximum errors in computed drawdown of about 20% of initial aquifer saturated thickness (mean errors of about 5%) when maximum drawdowns were about 35% of initial saturated thickness. In early phases of model development, such as during initial model calibration efforts, the specified-thickness approximation can be a very effective tool to facilitate convergence. The reduced execution time and increased stability obtained through the approximation can be especially useful when many model runs are required, such as during inverse model calibration, sensitivity and uncertainty analyses, multimodel analysis, and development of optimal resource management scenarios.

Evaluation of linear array MOSFET detectors for in vivo dosimetry to measure rectal dose in HDR brachytherapy.

PubMed

Haughey, Aisling; Coalter, George; Mugabe, Koki

2011-09-01

The study aimed to assess the suitability of linear array metal oxide semiconductor field effect transistor detectors (MOSFETs) as in vivo dosimeters to measure rectal dose in high dose rate brachytherapy treatments. The MOSFET arrays were calibrated with an Ir192 source and phantom measurements were performed to check agreement with the treatment planning system. The angular dependence, linearity and constancy of the detectors were evaluated. For in vivo measurements two sites were investigated, transperineal needle implants for prostate cancer and Fletcher suites for cervical cancer. The MOSFETs were inserted into the patients' rectum in theatre inside a modified flatus tube. The patients were then CT scanned for treatment planning. Measured rectal doses during treatment were compared with point dose measurements predicted by the TPS. The MOSFETs were found to require individual calibration factors. The calibration was found to drift by approximately 1% ±0.8 per 500 mV accumulated and varies with distance from source due to energy dependence. In vivo results for prostate patients found only 33% of measured doses agreed with the TPS within ±10%. For cervix cases 42% of measured doses agreed with the TPS within ±10%, however of those not agreeing variations of up to 70% were observed. One of the most limiting factors in this study was found to be the inability to prevent the MOSFET moving internally between the time of CT and treatment. Due to the many uncertainties associated with MOSFETs including calibration drift, angular dependence and the inability to know their exact position at the time of treatment, we consider them to be unsuitable for in vivo dosimetry in rectum for HDR brachytherapy.

A modular finite-element model (MODFE) for areal and axisymmetric ground-water-flow problems, Part 2: Derivation of finite-element equations and comparisons with analytical solutions

USGS Publications Warehouse

Cooley, Richard L.

1992-01-01

MODFE, a modular finite-element model for simulating steady- or unsteady-state, area1 or axisymmetric flow of ground water in a heterogeneous anisotropic aquifer is documented in a three-part series of reports. In this report, part 2, the finite-element equations are derived by minimizing a functional of the difference between the true and approximate hydraulic head, which produces equations that are equivalent to those obtained by either classical variational or Galerkin techniques. Spatial finite elements are triangular with linear basis functions, and temporal finite elements are one dimensional with linear basis functions. Physical processes that can be represented by the model include (1) confined flow, unconfined flow (using the Dupuit approximation), or a combination of both; (2) leakage through either rigid or elastic confining units; (3) specified recharge or discharge at points, along lines, or areally; (4) flow across specified-flow, specified-head, or head-dependent boundaries; (5) decrease of aquifer thickness to zero under extreme water-table decline and increase of aquifer thickness from zero as the water table rises; and (6) head-dependent fluxes from springs, drainage wells, leakage across riverbeds or confining units combined with aquifer dewatering, and evapotranspiration. The matrix equations produced by the finite-element method are solved by the direct symmetric-Doolittle method or the iterative modified incomplete-Cholesky conjugate-gradient method. The direct method can be efficient for small- to medium-sized problems (less than about 500 nodes), and the iterative method is generally more efficient for larger-sized problems. Comparison of finite-element solutions with analytical solutions for five example problems demonstrates that the finite-element model can yield accurate solutions to ground-water flow problems.

The temperature dependence of vibronic lineshapes: Linear electron-phonon coupling

NASA Astrophysics Data System (ADS)

Roos, Claudia; Köhn, Andreas; Gauss, Jürgen; Diezemann, Gregor

2014-10-01

We calculate the effect of a linear electron-phonon coupling on vibronic transitions of dye molecules of arbitrary complexity. With the assumption of known vibronic frequencies (for instance from quantum-chemical calculations), we give expressions for the absorption or emission lineshapes in a second-order cumulant expansion. We show that the results coincide with those obtained from generalized Redfield theory if one uses the time-local version of the theory and applies the secular approximation. Furthermore, the theory allows to go beyond the Huang-Rhys approximation and can be used to incorporate Dushinsky effects in the treatment of the temperature dependence of optical spectra. We consider both, a pure electron-phonon coupling independent of the molecular vibrations and a coupling bilinear in the molecular vibrational modes and the phonon coordinates. We discuss the behavior of the vibronic density of states for various models for the spectral density representing the coupling of the vibronic system to the harmonic bath. We recover some of the results that have been derived earlier for the spin-boson model and we show that the behavior of the spectral density at low frequencies determines the dominant features of the spectra. In case of the bilinear coupling between the molecular vibrations and the phonons we give analytical expressions for different spectral densities. The spectra are reminiscent of those obtained from the well known Brownian oscillator model and one finds a zero-phonon line and phonon-side bands located at vibrational frequencies of the dye. The intensity of the phonon-side bands diminishes with increasing vibrational frequencies and with decreasing coupling strength (Huang-Rhys factor). It vanishes completely in the Markovian limit where only a Lorentzian zero-phonon line is observed.

A capacitive power sensor based on the MEMS cantilever beam fabricated by GaAs MMIC technology

NASA Astrophysics Data System (ADS)

Yi, Zhenxiang; Liao, Xiaoping

2013-03-01

In this paper, a novel capacitive power sensor based on the microelectromechanical systems (MEMS) cantilever beam at 8-12 GHz is proposed, fabricated and tested. The presented design can not only realize a cantilever beam instead of the conventional fixed-fixed beam, but also provide fine compatibility with the GaAs monolithic microwave integrated circuit (MMIC) process. When the displacement of the cantilever beam is very small compared with the initial height of the air gap, the capacitance change between the measuring electrode and the cantilever beam has an approximately linear dependence on the incident radio frequency (RF) power. Impedance compensating technology, by modifying the slot width of the coplanar waveguide transmission line, is adopted to minimize the effect of the cantilever beam on the power sensor; its validity is verified by the simulation of high frequency structure simulator software. The power sensor has been fabricated successfully by Au surface micromachining using polyimide as the sacrificial layer on the GaAs substrate. Optimization of the design with impedance compensating technology has resulted in a measured return loss of less than -25 dB and an insertion loss of around 0.1 dB at 8-12 GHz, which shows the slight effect of the cantilever beam on the microwave performance of this power sensor. The measured capacitance change starts from 0.7 fF to 1.3 fF when the incident RF power increases from 100 to 200 mW and an approximate linear dependence has been obtained. The measured sensitivities of the sensor are about 6.16, 6.27 and 6.03 aF mW-1 at 8, 10 and 12 GHz, respectively.

Thomson scattering diagnostics of thermal plasmas: Laser heating of electrons and the existence of local thermodynamic equilibrium.

PubMed

Murphy, A B

2004-01-01

A number of assessments of electron temperatures in atmospheric-pressure arc plasmas using Thomson scattering of laser light have recently been published. However, in this method, the electron temperature is perturbed due to strong heating of the electrons by the incident laser beam. This heating was taken into account by measuring the electron temperature as a function of the laser pulse energy, and linearly extrapolating the results to zero pulse energy to obtain an unperturbed electron temperature. In the present paper, calculations show that the laser heating process has a highly nonlinear dependence on laser power, and that the usual linear extrapolation leads to an overestimate of the electron temperature, typically by 5000 K. The nonlinearity occurs due to the strong dependence on electron temperature of the absorption of laser energy and of the collisional and radiative cooling of the heated electrons. There are further problems in deriving accurate electron temperatures from laser scattering due to necessary averages that have to be made over the duration of the laser pulse and over the finite volume from which laser light is scattered. These problems are particularly acute in measurements in which the laser beam is defocused in order to minimize laser heating; this can lead to the derivation of electron temperatures that are significantly greater than those existing anywhere in the scattering volume. It was concluded from the earlier Thomson scattering measurements that there were significant deviations from equilibrium between the electron and heavy-particle temperatures at the center of arc plasmas of industrial interest. The present calculations indicate that such deviations are only of the order of 1000 K in 20 000 K, so that the usual approximation that arc plasmas are approximately in local thermodynamic equilibrium still applies.

Non-parametric estimation of low-concentration benzene metabolism.

PubMed

Cox, Louis A; Schnatter, A Robert; Boogaard, Peter J; Banton, Marcy; Ketelslegers, Hans B

2017-12-25

Two apparently contradictory findings in the literature on low-dose human metabolism of benzene are as follows. First, metabolism is approximately linear at low concentrations, e.g., below 10 ppm. This is consistent with decades of quantitative modeling of benzene pharmacokinetics and dose-dependent metabolism. Second, measured benzene exposure and metabolite concentrations for occupationally exposed benzene workers in Tianjin, China show that dose-specific metabolism (DSM) ratios of metabolite concentrations per ppm of benzene in air decrease steadily with benzene concentration, with the steepest decreases below 3 ppm. This has been interpreted as indicating that metabolism at low concentrations of benzene is highly nonlinear. We reexamine the data using non-parametric methods. Our main conclusion is that both findings are correct; they are not contradictory. Low-concentration metabolism can be linear, with metabolite concentrations proportional to benzene concentrations in air, and yet DSM ratios can still decrease with benzene concentrations. This is because a ratio of random variables can be negatively correlated with its own denominator even if the mean of the numerator is proportional to the denominator. Interpreting DSM ratios that decrease with air benzene concentrations as evidence of nonlinear metabolism is therefore unwarranted when plots of metabolite concentrations against benzene ppm in air show approximately straight-line relationships between them, as in the Tianjin data. Thus, an apparent contradiction that has fueled heated discussions in the recent literature can be resolved by recognizing that highly nonlinear, decreasing DSM ratios are consistent with linear metabolism. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

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.

Strong convergence and convergence rates of approximating solutions for algebraic Riccati equations in Hilbert spaces

NASA Technical Reports Server (NTRS)

Ito, Kazufumi

1987-01-01

The linear quadratic optimal control problem on infinite time interval for linear time-invariant systems defined on Hilbert spaces is considered. The optimal control is given by a feedback form in terms of solution pi to the associated algebraic Riccati equation (ARE). A Ritz type approximation is used to obtain a sequence pi sup N of finite dimensional approximations of the solution to ARE. A sufficient condition that shows pi sup N converges strongly to pi is obtained. Under this condition, a formula is derived which can be used to obtain a rate of convergence of pi sup N to pi. The results of the Galerkin approximation is demonstrated and applied for parabolic systems and the averaging approximation for hereditary differential systems.

Bounded Linear Stability Analysis - A Time Delay Margin Estimation Approach for Adaptive Control

NASA Technical Reports Server (NTRS)

Nguyen, Nhan T.; Ishihara, Abraham K.; Krishnakumar, Kalmanje Srinlvas; Bakhtiari-Nejad, Maryam

2009-01-01

This paper presents a method for estimating time delay margin for model-reference adaptive control of systems with almost linear structured uncertainty. The bounded linear stability analysis method seeks to represent the conventional model-reference adaptive law by a locally bounded linear approximation within a small time window using the comparison lemma. The locally bounded linear approximation of the combined adaptive system is cast in a form of an input-time-delay differential equation over a small time window. The time delay margin of this system represents a local stability measure and is computed analytically by a matrix measure method, which provides a simple analytical technique for estimating an upper bound of time delay margin. Based on simulation results for a scalar model-reference adaptive control system, both the bounded linear stability method and the matrix measure method are seen to provide a reasonably accurate and yet not too conservative time delay margin estimation.

Turbulent kinetic energy and a possible hierarchy of length scales in a generalization of the Navier-Stokes alpha theory.

PubMed

Fried, Eliot; Gurtin, Morton E

2007-05-01

We present a continuum-mechanical formulation and generalization of the Navier-Stokes alpha theory based on a general framework for fluid-dynamical theories with gradient dependencies. Our flow equation involves two additional problem-dependent length scales alpha and beta. The first of these scales enters the theory through the internal kinetic energy, per unit mass, alpha2|D|2, where D is the symmetric part of the gradient of the filtered velocity. The remaining scale is associated with a dissipative hyperstress which depends linearly on the gradient of the filtered vorticity. When alpha and beta are equal, our flow equation reduces to the Navier-Stokes alpha equation. In contrast to the original derivation of the Navier-Stokes alpha equation, which relies on Lagrangian averaging, our formulation delivers boundary conditions. For a confined flow, our boundary conditions involve an additional length scale l characteristic of the eddies found near walls. Based on a comparison with direct numerical simulations for fully developed turbulent flow in a rectangular channel of height 2h, we find that alphabeta approximately Re(0.470) and lh approximately Re(-0.772), where Re is the Reynolds number. The first result, which arises as a consequence of identifying the internal kinetic energy with the turbulent kinetic energy, indicates that the choice alpha=beta required to reduce our flow equation to the Navier-Stokes alpha equation is likely to be problematic. The second result evinces the classical scaling relation eta/L approximately Re(-3/4) for the ratio of the Kolmogorov microscale eta to the integral length scale L . The numerical data also suggests that l < or = beta . We are therefore led to conjecture a tentative hierarchy, l < or = beta < alpha , involving the three length scales entering our theory.

Non-linear continuous time random walk models★

NASA Astrophysics Data System (ADS)

Stage, Helena; Fedotov, Sergei

2017-11-01

A standard assumption of continuous time random walk (CTRW) processes is that there are no interactions between the random walkers, such that we obtain the celebrated linear fractional equation either for the probability density function of the walker at a certain position and time, or the mean number of walkers. The question arises how one can extend this equation to the non-linear case, where the random walkers interact. The aim of this work is to take into account this interaction under a mean-field approximation where the statistical properties of the random walker depend on the mean number of walkers. The implementation of these non-linear effects within the CTRW integral equations or fractional equations poses difficulties, leading to the alternative methodology we present in this work. We are concerned with non-linear effects which may either inhibit anomalous effects or induce them where they otherwise would not arise. Inhibition of these effects corresponds to a decrease in the waiting times of the random walkers, be this due to overcrowding, competition between walkers or an inherent carrying capacity of the system. Conversely, induced anomalous effects present longer waiting times and are consistent with symbiotic, collaborative or social walkers, or indirect pinpointing of favourable regions by their attractiveness. Contribution to the Topical Issue "Continuous Time Random Walk Still Trendy: Fifty-year History, Current State and Outlook", edited by Ryszard Kutner and Jaume Masoliver.

Comparison of all atom, continuum, and linear fitting empirical models for charge screening effect of aqueous medium surrounding a protein molecule

NASA Astrophysics Data System (ADS)

Takahashi, Takuya; Sugiura, Junnnosuke; Nagayama, Kuniaki

2002-05-01

To investigate the role hydration plays in the electrostatic interactions of proteins, the time-averaged electrostatic potential of the B1 domain of protein G in an aqueous solution was calculated with full atomic molecular dynamics simulations that explicitly considers every atom (i.e., an all atom model). This all atom calculated potential was compared with the potential obtained from an electrostatic continuum model calculation. In both cases, the charge-screening effect was fairly well formulated with an effective relative dielectric constant which increased linearly with increasing charge-charge distance. This simulated linear dependence agrees with the experimentally determined linear relation proposed by Pickersgill. Cut-off approximations for Coulomb interactions failed to reproduce this linear relation. Correlation between the all atom model and the continuum models was found to be better than the respective correlation calculated for linear fitting to the two models. This confirms that the continuum model is better at treating the complicated shapes of protein conformations than the simple linear fitting empirical model. We have tried a sigmoid fitting empirical model in addition to the linear one. When weights of all data were treated equally, the sigmoid model, which requires two fitting parameters, fits results of both the all atom and the continuum models less accurately than the linear model which requires only one fitting parameter. When potential values are chosen as weighting factors, the fitting error of the sigmoid model became smaller, and the slope of both linear fitting curves became smaller. This suggests the screening effect of an aqueous medium within a short range, where potential values are relatively large, is smaller than that expected from the linear fitting curve whose slope is almost 4. To investigate the linear increase of the effective relative dielectric constant, the Poisson equation of a low-dielectric sphere in a high-dielectric medium was solved and charges distributed near the molecular surface were indicated as leading to the apparent linearity.

Linearization of Positional Response Curve of a Fiber-optic Displacement Sensor

NASA Astrophysics Data System (ADS)

Babaev, O. G.; Matyunin, S. A.; Paranin, V. D.

2018-01-01

Currently, the creation of optical measuring instruments and sensors for measuring linear displacement is one of the most relevant problems in the area of instrumentation. Fiber-optic contactless sensors based on the magneto-optical effect are of special interest. They are essentially contactless, non-electrical and have a closed optical channel not subject to contamination. The main problem of this type of sensors is the non-linearity of their positional response curve due to the hyperbolic nature of the magnetic field intensity variation induced by moving the magnetic source mounted on the controlled object relative to the sensing element. This paper discusses an algorithmic method of linearizing the positional response curve of fiber-optic displacement sensors in any selected range of the displacements to be measured. The method is divided into two stages: 1 - definition of the calibration function, 2 - measurement and linearization of the positional response curve (including its temperature stabilization). The algorithm under consideration significantly reduces the number of points of the calibration function, which is essential for the calibration of temperature dependence, due to the use of the points that randomly deviate from the grid points with uniform spacing. Subsequent interpolation of the deviating points and piecewise linear-plane approximation of the calibration function reduces the microcontroller storage capacity for storing the calibration function and the time required to process the measurement results. The paper also presents experimental results of testing real samples of fiber-optic displacement sensors.

Theoretical study of the influence of the electric field on the electronic properties of armchair boron nitride nanoribbon

NASA Astrophysics Data System (ADS)

Chegel, Raad; Behzad, Somayeh

2014-11-01

We have investigated the electronic properties of A-BNNRs in the external electric field using third nearest neighbor tight binding approximation including edge effects. We found that the dependence of on-site energy to the external electric field for edge atoms and center part atoms is different. By comparing the band structure in the different fields, several differences are clearly seen such as modification of energy dispersions, creation of additional band edge states and band gap reduction. By increasing the electric field the band gap reduces linearly until reaches zero and BNNRs with larger width are more sensitive than small ones. All changes in the band structure are directly reflected in the DOS spectrum. The numbers and the energies of the DOS peaks are dependent on the electric field strength.

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

Bellomo, Nicola; Bellini, Emilio; Hu, Bin

Cosmological observables show a dependence with the neutrino mass, which is partially degenerate with parameters of extended models of gravity. We study and explore this degeneracy in Horndeski generalized scalar-tensor theories of gravity. Using forecasted cosmic microwave background and galaxy power spectrum datasets, we find that a single parameter in the linear regime of the effective theory dominates the correlation with the total neutrino mass. For any given mass, a particular value of this parameter approximately cancels the power suppression due to the neutrino mass at a given redshift. The extent of the cancellation of this degeneracy depends on themore » cosmological large-scale structure data used at different redshifts. We constrain the parameters and functions of the effective gravity theory and determine the influence of gravity on the determination of the neutrino mass from present and future surveys.« less

Impact of Many-Body Effects on Landau Levels in Graphene

NASA Astrophysics Data System (ADS)

Sonntag, J.; Reichardt, S.; Wirtz, L.; Beschoten, B.; Katsnelson, M. I.; Libisch, F.; Stampfer, C.

2018-05-01

We present magneto-Raman spectroscopy measurements on suspended graphene to investigate the charge carrier density-dependent electron-electron interaction in the presence of Landau levels. Utilizing gate-tunable magnetophonon resonances, we extract the charge carrier density dependence of the Landau level transition energies and the associated effective Fermi velocity vF. In contrast to the logarithmic divergence of vF at zero magnetic field, we find a piecewise linear scaling of vF as a function of the charge carrier density, due to a magnetic-field-induced suppression of the long-range Coulomb interaction. We quantitatively confirm our experimental findings by performing tight-binding calculations on the level of the Hartree-Fock approximation, which also allow us to estimate an excitonic binding energy of ≈6 meV contained in the experimentally extracted Landau level transitions energies.

Phase space explorations in time dependent density functional theory

NASA Astrophysics Data System (ADS)

Rajam, Aruna K.

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

Fall with Linear Drag and Wien's Displacement Law: Approximate Solution and Lambert Function

ERIC Educational Resources Information Center

Vial, Alexandre

2012-01-01

We present an approximate solution for the downward time of travel in the case of a mass falling with a linear drag force. We show how a quasi-analytical solution implying the Lambert function can be found. We also show that solving the previous problem is equivalent to the search for Wien's displacement law. These results can be of interest for…

A Galerkin approximation for linear elastic shallow shells

NASA Astrophysics Data System (ADS)

Figueiredo, I. N.; Trabucho, L.

1992-03-01

This work is a generalization to shallow shell models of previous results for plates by B. Miara (1989). Using the same basis functions as in the plate case, we construct a Galerkin approximation of the three-dimensional linearized elasticity problem, and establish some error estimates as a function of the thickness, the curvature, the geometry of the shell, the forces and the Lamé costants.

Approximating a nonlinear advanced-delayed equation from acoustics

NASA Astrophysics Data System (ADS)

Teodoro, M. Filomena

2016-10-01

We approximate the solution of a particular non-linear mixed type functional differential equation from physiology, the mucosal wave model of the vocal oscillation during phonation. The mathematical equation models a superficial wave propagating through the tissues. The numerical scheme is adapted from the work presented in [1, 2, 3], using homotopy analysis method (HAM) to solve the non linear mixed type equation under study.

Excess entropy scaling for the segmental and global dynamics of polyethylene melts.

PubMed

Voyiatzis, Evangelos; Müller-Plathe, Florian; Böhm, Michael C

2014-11-28

The range of validity of the Rosenfeld and Dzugutov excess entropy scaling laws is analyzed for unentangled linear polyethylene chains. We consider two segmental dynamical quantities, i.e. the bond and the torsional relaxation times, and two global ones, i.e. the chain diffusion coefficient and the viscosity. The excess entropy is approximated by either a series expansion of the entropy in terms of the pair correlation function or by an equation of state for polymers developed in the context of the self associating fluid theory. For the whole range of temperatures and chain lengths considered, the two estimates of the excess entropy are linearly correlated. The scaled bond and torsional relaxation times fall into a master curve irrespective of the chain length and the employed scaling scheme. Both quantities depend non-linearly on the excess entropy. For a fixed chain length, the reduced diffusion coefficient and viscosity scale linearly with the excess entropy. An empirical reduction to a chain length-independent master curve is accessible for both dynamic quantities. The Dzugutov scheme predicts an increased value of the scaled diffusion coefficient with increasing chain length which contrasts physical expectations. The origin of this trend can be traced back to the density dependence of the scaling factors. This finding has not been observed previously for Lennard-Jones chain systems (Macromolecules, 2013, 46, 8710-8723). Thus, it limits the applicability of the Dzugutov approach to polymers. In connection with diffusion coefficients and viscosities, the Rosenfeld scaling law appears to be of higher quality than the Dzugutov approach. An empirical excess entropy scaling is also proposed which leads to a chain length-independent correlation. It is expected to be valid for polymers in the Rouse regime.

Application of porous titanium in prosthesis production using a moldless process: Evaluation of physical and mechanical properties with various particle sizes, shapes, and mixing ratios.

PubMed

Prananingrum, Widyasri; Tomotake, Yoritoki; Naito, Yoshihito; Bae, Jiyoung; Sekine, Kazumitsu; Hamada, Kenichi; Ichikawa, Tetsuo

2016-08-01

The prosthetic applications of titanium have been challenging because titanium does not possess suitable properties for the conventional casting method using the lost wax technique. We have developed a production method for biomedical application of porous titanium using a moldless process. This study aimed to evaluate the physical and mechanical properties of porous titanium using various particle sizes, shapes, and mixing ratio of titanium powder to wax binder for use in prosthesis production. CP Ti powders with different particle sizes, shapes, and mixing ratios were divided into five groups. A 90:10wt% mixture of titanium powder and wax binder was prepared manually at 70°C. After debinding at 380°C, the specimen was sintered in Ar at 1100°C without a mold for 1h. The linear shrinkage ratio of sintered specimens ranged from 2.5% to 14.2%. The linear shrinkage ratio increased with decreasing particle size. While the linear shrinkage ratio of Groups 3, 4, and 5 were approximately 2%, Group 1 showed the highest shrinkage of all. The bending strength ranged from 106 to 428MPa under the influence of porosity. Groups 1 and 2 presented low porosity followed by higher strength. The shear bond strength ranged from 32 to 100MPa. The shear bond strength was also particle-size dependent. The decrease in the porosity increased the linear shrinkage ratio and bending strength. Shrinkage and mechanical strength required for prostheses were dependent on the particle size and shape of titanium powders. These findings suggested that this production method can be applied to the prosthetic framework by selecting the material design. Copyright © 2016 Elsevier Ltd. All rights reserved.

Meta-Regression Approximations to Reduce Publication Selection Bias

ERIC Educational Resources Information Center

Stanley, T. D.; Doucouliagos, Hristos

2014-01-01

Publication selection bias is a serious challenge to the integrity of all empirical sciences. We derive meta-regression approximations to reduce this bias. Our approach employs Taylor polynomial approximations to the conditional mean of a truncated distribution. A quadratic approximation without a linear term, precision-effect estimate with…

Linear and nonlinear thermodynamics of a kinetic heat engine with fast transformations

NASA Astrophysics Data System (ADS)

Cerino, Luca; Puglisi, Andrea; Vulpiani, Angelo

2016-04-01

We investigate a kinetic heat engine model composed of particles enclosed in a box where one side acts as a thermostat and the opposite side is a piston exerting a given pressure. Pressure and temperature are varied in a cyclical protocol of period τ : their relative excursions, δ and ɛ , respectively, constitute the thermodynamic forces dragging the system out of equilibrium. The analysis of the entropy production of the system allows us to define the conjugated fluxes, which are proportional to the extracted work and the consumed heat. In the limit of small δ and ɛ the fluxes are linear in the forces through a τ -dependent Onsager matrix whose off-diagonal elements satisfy a reciprocal relation. The dynamics of the piston can be approximated, through a coarse-graining procedure, by a Klein-Kramers equation which—in the linear regime—yields analytic expressions for the Onsager coefficients and the entropy production. A study of the efficiency at maximum power shows that the Curzon-Ahlborn formula is always an upper limit which is approached at increasing values of the thermodynamic forces, i.e., outside of the linear regime. In all our analysis the adiabatic limit τ →∞ and the the small-force limit δ ,ɛ →0 are not directly related.

Low-dimensional Representation of Error Covariance

NASA Technical Reports Server (NTRS)

Tippett, Michael K.; Cohn, Stephen E.; Todling, Ricardo; Marchesin, Dan

2000-01-01

Ensemble and reduced-rank approaches to prediction and assimilation rely on low-dimensional approximations of the estimation error covariances. Here stability properties of the forecast/analysis cycle for linear, time-independent systems are used to identify factors that cause the steady-state analysis error covariance to admit a low-dimensional representation. A useful measure of forecast/analysis cycle stability is the bound matrix, a function of the dynamics, observation operator and assimilation method. Upper and lower estimates for the steady-state analysis error covariance matrix eigenvalues are derived from the bound matrix. The estimates generalize to time-dependent systems. If much of the steady-state analysis error variance is due to a few dominant modes, the leading eigenvectors of the bound matrix approximate those of the steady-state analysis error covariance matrix. The analytical results are illustrated in two numerical examples where the Kalman filter is carried to steady state. The first example uses the dynamics of a generalized advection equation exhibiting nonmodal transient growth. Failure to observe growing modes leads to increased steady-state analysis error variances. Leading eigenvectors of the steady-state analysis error covariance matrix are well approximated by leading eigenvectors of the bound matrix. The second example uses the dynamics of a damped baroclinic wave model. The leading eigenvectors of a lowest-order approximation of the bound matrix are shown to approximate well the leading eigenvectors of the steady-state analysis error covariance matrix.

Accurate initial conditions in mixed dark matter-baryon simulations

NASA Astrophysics Data System (ADS)

Valkenburg, Wessel; Villaescusa-Navarro, Francisco

2017-06-01

We quantify the error in the results of mixed baryon-dark-matter hydrodynamic simulations, stemming from outdated approximations for the generation of initial conditions. The error at redshift 0 in contemporary large simulations is of the order of few to 10 per cent in the power spectra of baryons and dark matter, and their combined total-matter power spectrum. After describing how to properly assign initial displacements and peculiar velocities to multiple species, we review several approximations: (1) using the total-matter power spectrum to compute displacements and peculiar velocities of both fluids, (2) scaling the linear redshift-zero power spectrum back to the initial power spectrum using the Newtonian growth factor ignoring homogeneous radiation, (3) using a mix of general-relativistic gauges so as to approximate Newtonian gravity, namely longitudinal-gauge velocities with synchronous-gauge densities and (4) ignoring the phase-difference in the Fourier modes for the offset baryon grid, relative to the dark-matter grid. Three of these approximations do not take into account that dark matter and baryons experience a scale-dependent growth after photon decoupling, which results in directions of velocity that are not the same as their direction of displacement. We compare the outcome of hydrodynamic simulations with these four approximations to our reference simulation, all setup with the same random seed and simulated using gadget-III.

Flow in linearly sheared two-dimensional foams: From bubble to bulk scale.

PubMed

Katgert, Gijs; Latka, Andrzej; Möbius, Matthias E; van Hecke, Martin

2009-06-01

We probe the flow of two-dimensional (2D) foams, consisting of a monolayer of bubbles sandwiched between a liquid bath and glass plate, as a function of driving rate, packing fraction, and degree of disorder. First, we find that bidisperse, disordered foams exhibit strongly rate-dependent and inhomogeneous (shear-banded) velocity profiles, while monodisperse ordered foams are also shear banded but essentially rate independent. Second, we adapt a simple model [E. Janiaud, D. Weaire, and S. Hutzler, Phys. Rev. Lett. 97, 038302 (2006)] based on balancing the averaged drag forces between the bubbles and the top plate F[over ]_{bw} and the averaged bubble-bubble drag forces F[over ]_{bb} by assuming that F[over ]_{bw} approximately v;{2/3} and F[over ]_{bb} approximately ( partial differential_{y}v);{beta} , where v and ( partial differential_{y}v) denote average bubble velocities and gradients. This model captures the observed rate-dependent flows for beta approximately 0.36 , and the rate independent flows for beta approximately 0.67 . Third, we perform independent rheological measurements of F[over ]_{bw} and F[over ]_{bb} , both for ordered and disordered systems, and find these to be fully consistent with the forms assumed in the simple model. Disorder thus leads to a modified effective exponent beta . Fourth, we vary the packing fraction phi of the foam over a substantial range and find that the flow profiles become increasingly shear banded when the foam is made wetter. Surprisingly, the model describes flow profiles and rate dependence over the whole range of packing fractions with the same power-law exponents-only a dimensionless number k that measures the ratio of the prefactors of the viscous drag laws is seen to vary with packing fraction. We find that k approximately (phi-phi_{c});{-1} , where phi_{c} approximately 0.84 corresponds to the 2D jamming density, and suggest that this scaling follows from the geometry of the deformed facets between bubbles in contact. Overall, our work shows that the presence of disorder qualitatively changes the effective bubble-bubble drag forces and suggests a route to rationalize aspects of the ubiquitous Herschel-Bulkley (power-law) rheology observed in a wide range of disordered materials.

Energy dependence of lithium fluoride dosemeter for high energy electrons

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

Antoku, S.; Sunayashiki, T.; Takeoka, S.

1973-11-01

A lithium fluoride and a Fricke dosemeter have been exposed simultaneously to /sup 60/Co gamma -rays and 10, 20, and 30 MeV electrons to study the energy dependence of the lithium fluoride dosemeter for high-energy electrons, with particular reference to possible significant reductions in the sensitivity of LiF phosphors for electrons as compared with /sup 60/Co gamma - rays. In the present study, the direct comparison excluded errors resulting from uncertainties about ion recombination and conversion factors from roentgens to rads for ionization chambers. The dosemeters were exposed to approximately 5000 rads of each radiation at the appropriate peak depthmore » in a water phantom. Corrections for the supra-linear response for LiF were made using a dose response curve for /sup 60/Co gamma -rays. The three types of LiF phosphor examined did not exhibit any energy dependence for electrons compared with /sup 60/Co gamma - rays. Within the statistical uncertainty (~3%) for the experiment. (UK)« less

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

Trang Nghiêm, T. T.; Chapuis, Pierre-Olivier

The wave property of phonons is employed to explore the thermal transport across a finite periodic array of nano-scatterers such as circular and triangular holes. As thermal phonons are generated in all directions, we study their transmission through a single array for both normal and oblique incidences, using a linear dispersionless time-dependent acoustic frame in a two-dimensional system. Roughness effects can be directly considered within the computations without relying on approximate analytical formulae. Analysis by spatio-temporal Fourier transform allows us to observe the diffraction effects and the conversion of polarization. Frequency-dependent energy transmission coefficients are computed for symmetric and asymmetricmore » objects that are both subject to reciprocity. We demonstrate that the phononic array acts as an efficient thermal barrier by applying the theory of thermal boundary (Kapitza) resistances to arrays of smooth scattering holes in silicon for an exemplifying periodicity of 10 nm in the 5–100 K temperature range. It is observed that the associated thermal conductance has the same temperature dependence as that without phononic filtering.« less

Kinetic Monte Carlo simulations of ion-induced ripple formation: Dependence on flux, temperature, and defect concentration in the linear regime

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

Chason, E.; Chan, W. L.; Bharathi, M. S.

Low-energy ion bombardment produces spontaneous periodic structures (sputter ripples) on many surfaces. Continuum theories describe the pattern formation in terms of ion-surface interactions and surface relaxation kinetics, but many features of these models (such as defect concentration) are unknown or difficult to determine. In this work, we present results of kinetic Monte Carlo simulations that model surface evolution using discrete atomistic versions of the physical processes included in the continuum theories. From simulations over a range of parameters, we obtain the dependence of the ripple growth rate, wavelength, and velocity on the ion flux and temperature. The results are discussedmore » in terms of the thermally dependent concentration and diffusivity of ion-induced surface defects. We find that in the early stages of ripple formation the simulation results are surprisingly well described by the predictions of the continuum theory, in spite of simplifying approximations used in the continuum model.« less

Solving the Problem of Linear Viscoelasticity for Piecewise-Homogeneous Anisotropic Plates

NASA Astrophysics Data System (ADS)

Kaloerov, S. A.; Koshkin, A. A.

2017-11-01

An approximate method for solving the problem of linear viscoelasticity for thin anisotropic plates subject to transverse bending is proposed. The method of small parameter is used to reduce the problem to a sequence of boundary problems of applied theory of bending of plates solved using complex potentials. The general form of complex potentials in approximations and the boundary conditions for determining them are obtained. Problems for a plate with elliptic elastic inclusions are solved as an example. The numerical results for a plate with one, two elliptical (circular), and linear inclusions are analyzed.

Conduction cooling systems for linear accelerator cavities

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

Kephart, Robert

A conduction cooling system for linear accelerator cavities. The system conducts heat from the cavities to a refrigeration unit using at least one cavity cooler interconnected with a cooling connector. The cavity cooler and cooling connector are both made from solid material having a very high thermal conductivity of approximately 1.times.10.sup.4 W m.sup.-1 K.sup.-1 at temperatures of approximately 4 degrees K. This allows for very simple and effective conduction of waste heat from the linear accelerator cavities to the cavity cooler, along the cooling connector, and thence to the refrigeration unit.

Linear approximations of global behaviors in nonlinear systems with moderate or strong noise

NASA Astrophysics Data System (ADS)

Liang, Junhao; Din, Anwarud; Zhou, Tianshou

2018-03-01

While many physical or chemical systems can be modeled by nonlinear Langevin equations (LEs), dynamical analysis of these systems is challenging in the cases of moderate and strong noise. Here we develop a linear approximation scheme, which can transform an often intractable LE into a linear set of binomial moment equations (BMEs). This scheme provides a feasible way to capture nonlinear behaviors in the sense of probability distribution and is effective even when the noise is moderate or big. Based on BMEs, we further develop a noise reduction technique, which can effectively handle tough cases where traditional small-noise theories are inapplicable. The overall method not only provides an approximation-based paradigm to analysis of the local and global behaviors of nonlinear noisy systems but also has a wide range of applications.

An approximation of herd effect due to vaccinating children against seasonal influenza - a potential solution to the incorporation of indirect effects into static models.

PubMed

Van Vlaenderen, Ilse; Van Bellinghen, Laure-Anne; Meier, Genevieve; Nautrup, Barbara Poulsen

2013-01-22

Indirect herd effect from vaccination of children offers potential for improving the effectiveness of influenza prevention in the remaining unvaccinated population. Static models used in cost-effectiveness analyses cannot dynamically capture herd effects. The objective of this study was to develop a methodology to allow herd effect associated with vaccinating children against seasonal influenza to be incorporated into static models evaluating the cost-effectiveness of influenza vaccination. Two previously published linear equations for approximation of herd effects in general were compared with the results of a structured literature review undertaken using PubMed searches to identify data on herd effects specific to influenza vaccination. A linear function was fitted to point estimates from the literature using the sum of squared residuals. The literature review identified 21 publications on 20 studies for inclusion. Six studies provided data on a mathematical relationship between effective vaccine coverage in subgroups and reduction of influenza infection in a larger unvaccinated population. These supported a linear relationship when effective vaccine coverage in a subgroup population was between 20% and 80%. Three studies evaluating herd effect at a community level, specifically induced by vaccinating children, provided point estimates for fitting linear equations. The fitted linear equation for herd protection in the target population for vaccination (children) was slightly less conservative than a previously published equation for herd effects in general. The fitted linear equation for herd protection in the non-target population was considerably less conservative than the previously published equation. This method of approximating herd effect requires simple adjustments to the annual baseline risk of influenza in static models: (1) for the age group targeted by the childhood vaccination strategy (i.e. children); and (2) for other age groups not targeted (e.g. adults and/or elderly). Two approximations provide a linear relationship between effective coverage and reduction in the risk of infection. The first is a conservative approximation, recommended as a base-case for cost-effectiveness evaluations. The second, fitted to data extracted from a structured literature review, provides a less conservative estimate of herd effect, recommended for sensitivity analyses.

Applications of nonlinear systems theory to control design

NASA Technical Reports Server (NTRS)

Hunt, L. R.; Villarreal, Ramiro

1988-01-01

For most applications in the control area, the standard practice is to approximate a nonlinear mathematical model by a linear system. Since the feedback linearizable systems contain linear systems as a subclass, the procedure of approximating a nonlinear system by a feedback linearizable one is examined. Because many physical plants (e.g., aircraft at the NASA Ames Research Center) have mathematical models which are close to feedback linearizable systems, such approximations are certainly justified. Results and techniques are introduced for measuring the gap between the model and its truncated linearizable part. The topic of pure feedback systems is important to the study.

Triangle based TVD schemes for hyperbolic conservation laws

NASA Technical Reports Server (NTRS)

Durlofsky, Louis J.; Osher, Stanley; Engquist, Bjorn

1990-01-01

A triangle based total variation diminishing (TVD) scheme for the numerical approximation of hyperbolic conservation laws in two space dimensions is constructed. The novelty of the scheme lies in the nature of the preprocessing of the cell averaged data, which is accomplished via a nearest neighbor linear interpolation followed by a slope limiting procedures. Two such limiting procedures are suggested. The resulting method is considerably more simple than other triangle based non-oscillatory approximations which, like this scheme, approximate the flux up to second order accuracy. Numerical results for linear advection and Burgers' equation are presented.

Congruence Approximations for Entrophy Endowed Hyperbolic Systems

NASA Technical Reports Server (NTRS)

Barth, Timothy J.; Saini, Subhash (Technical Monitor)

1998-01-01

Building upon the standard symmetrization theory for hyperbolic systems of conservation laws, congruence properties of the symmetrized system are explored. These congruence properties suggest variants of several stabilized numerical discretization procedures for hyperbolic equations (upwind finite-volume, Galerkin least-squares, discontinuous Galerkin) that benefit computationally from congruence approximation. Specifically, it becomes straightforward to construct the spatial discretization and Jacobian linearization for these schemes (given a small amount of derivative information) for possible use in Newton's method, discrete optimization, homotopy algorithms, etc. Some examples will be given for the compressible Euler equations and the nonrelativistic MHD equations using linear and quadratic spatial approximation.

Mass-improvement of the vector current in three-flavor QCD

NASA Astrophysics Data System (ADS)

Fritzsch, P.

2018-06-01

We determine two improvement coefficients which are relevant to cancel mass-dependent cutoff effects in correlation functions with operator insertions of the non-singlet local QCD vector current. This determination is based on degenerate three-flavor QCD simulations of non-perturbatively O( a) improved Wilson fermions with tree-level improved gauge action. Employing a very robust strategy that has been pioneered in the quenched approximation leads to an accurate estimate of a counterterm cancelling dynamical quark cutoff effects linear in the trace of the quark mass matrix. To our knowledge this is the first time that such an effect has been determined systematically with large significance.

Propagation-invariant beams with quantum pendulum spectra: from Bessel beams to Gaussian beam-beams.

PubMed

Dennis, Mark R; Ring, James D

2013-09-01

We describe a new class of propagation-invariant light beams with Fourier transform given by an eigenfunction of the quantum mechanical pendulum. These beams, whose spectra (restricted to a circle) are doubly periodic Mathieu functions in azimuth, depend on a field strength parameter. When the parameter is zero, pendulum beams are Bessel beams, and as the parameter approaches infinity, they resemble transversely propagating one-dimensional Gaussian wave packets (Gaussian beam-beams). Pendulum beams are the eigenfunctions of an operator that interpolates between the squared angular momentum operator and the linear momentum operator. The analysis reveals connections with Mathieu beams, and insight into the paraxial approximation.

Instabilities in rapid solidification of multi-component alloys

NASA Astrophysics Data System (ADS)

Altieri, Anthony L.; Davis, Stephen H.

2017-10-01

Rapid solidification of multi-component liquids occurs in many modern applications such as additive manufacturing. In the present work the interface departures from equilibrium consist of the segregation coefficient and liquidus slope depending on front speed, the one-sided, frozen-temperature approximation, and the alloy behaving as the superposition of individual components. Linear-stability theory is applied, showing that the cellular and oscillatory instabilities of the binary case are modified. The addition of components tends to destabilize the interface while the addition of a single large-diffusivity material can entirely suppress the oscillatory mode. Multiple minima in the neutral curve for the cellular mode occur.

Solution of non-steady-state substrate concentration in the action of biosensor response at mixed enzyme kinetics

NASA Astrophysics Data System (ADS)

Senthamarai, R.; Jana Ranjani, R.

2018-04-01

In this paper, a mathematical model of an amperometric biosensor at mixed enzyme kinetics and diffusion limitation in the case of substrate inhibition has been developed. The model is based on time dependent reaction diffusion equation containing a non -linear term related to non -Michaelis - Menten kinetics of the enzymatic reaction. Solution for the concentration of the substrate has been derived for all values of parameters using the homotopy perturbation method. All the approximate analytic expressions of substrate concentration are compared with simulation results using Scilab/Matlab program. Finally, we have given a satisfactory agreement between them.

A Gaussian measure of quantum phase noise

NASA Technical Reports Server (NTRS)

Schleich, Wolfgang P.; Dowling, Jonathan P.

1992-01-01

We study the width of the semiclassical phase distribution of a quantum state in its dependence on the average number of photons (m) in this state. As a measure of phase noise, we choose the width, delta phi, of the best Gaussian approximation to the dominant peak of this probability curve. For a coherent state, this width decreases with the square root of (m), whereas for a truncated phase state it decreases linearly with increasing (m). For an optimal phase state, delta phi decreases exponentially but so does the area caught underneath the peak: all the probability is stored in the broad wings of the distribution.

High resolution eddy current microscopy

NASA Astrophysics Data System (ADS)

Lantz, M. A.; Jarvis, S. P.; Tokumoto, H.

2001-01-01

We describe a sensitive scanning force microscope based technique for measuring local variations in resistivity by monitoring changes in the eddy current induced damping of a cantilever with a magnetic tip oscillating above a conducting sample. To achieve a high sensitivity, we used a cantilever with an FeNdBLa particle mounted on the tip. Resistivity measurements are demonstrated on a silicon test structure with a staircase doping profile. Regions with resistivities of 0.0013, 0.0041, and 0.022 Ω cm are clearly resolved with a lateral resolution of approximately 180 nm. For this range of resistivities, the eddy current induced damping is found to depend linearly on the sample resistivity.

Correlated sequential tunneling through a double barrier for interacting one-dimensional electrons

NASA Astrophysics Data System (ADS)

Thorwart, M.; Egger, R.; Grifoni, M.

2005-07-01

The problem of resonant tunneling through a quantum dot weakly coupled to spinless Tomonaga-Luttinger liquids has been studied. We compute the linear conductance due to sequential tunneling processes upon employing a master equation approach. Besides the previously used lowest-order golden rule rates describing uncorrelated sequential tunneling processes, we systematically include higher-order correlated sequential tunneling (CST) diagrams within the standard Weisskopf-Wigner approximation. We provide estimates for the parameter regions where CST effects can be important. Focusing mainly on the temperature dependence of the peak conductance, we discuss the relation of these findings to previous theoretical and experimental results.

Correlated sequential tunneling in Tomonaga-Luttinger liquid quantum dots

NASA Astrophysics Data System (ADS)

Thorwart, M.; Egger, R.; Grifoni, M.

2005-02-01

We investigate tunneling through a quantum dot formed by two strong impurites in a spinless Tomonaga-Luttinger liquid. Upon employing a Markovian master equation approach, we compute the linear conductance due to sequential tunneling processes. Besides the previously used lowest-order Golden Rule rates describing uncorrelated sequential tunneling (UST) processes, we systematically include higher-order correlated sequential tunneling (CST) diagrams within the standard Weisskopf-Wigner approximation. We provide estimates for the parameter regions where CST effects are shown to dominate over UST. Focusing mainly on the temperature dependence of the conductance maximum, we discuss the relation of our results to previous theoretical and experimental results.

Effective Methods for Solving Band SLEs after Parabolic Nonlinear PDEs

NASA Astrophysics Data System (ADS)

Veneva, Milena; Ayriyan, Alexander

2018-04-01

A class of models of heat transfer processes in a multilayer domain is considered. The governing equation is a nonlinear heat-transfer equation with different temperature-dependent densities and thermal coefficients in each layer. Homogeneous Neumann boundary conditions and ideal contact ones are applied. A finite difference scheme on a special uneven mesh with a second-order approximation in the case of a piecewise constant spatial step is built. This discretization leads to a pentadiagonal system of linear equations (SLEs) with a matrix which is neither diagonally dominant, nor positive definite. Two different methods for solving such a SLE are developed - diagonal dominantization and symbolic algorithms.

X-ray observations of the burst source MXB 1728 - 34

NASA Technical Reports Server (NTRS)

Basinska, E. M.; Lewin, W. H. G.; Sztajno, M.; Cominsky, L. R.; Marshall, F. J.

1984-01-01

Where sufficient information has been obtained, attention is given to the maximum burst flux, integrated burst flux, spectral hardness, rise time, etc., of 96 X-ray bursts observed from March 1976 to March 1979. The integrated burst flux and the burst frequency appear to be correlated; the longer the burst interval, the larger the integrated burst flux, as expected on the basis of simple thermonuclear flash models. The maximum burst flux and the integrated burst flux are strongly correlated; for low flux levels their dependence is approximately linear, while for increasing values of the integrated burst flux, the flux at burst maximum saturates and reaches a plateau.

Application of the superposition principle to solar-cell analysis

NASA Technical Reports Server (NTRS)

Lindholm, F. A.; Fossum, J. G.; Burgess, E. L.

1979-01-01

The superposition principle of differential-equation theory - which applies if and only if the relevant boundary-value problems are linear - is used to derive the widely used shifting approximation that the current-voltage characteristic of an illuminated solar cell is the dark current-voltage characteristic shifted by the short-circuit photocurrent. Analytical methods are presented to treat cases where shifting is not strictly valid. Well-defined conditions necessary for superposition to apply are established. For high injection in the base region, the method of analysis accurately yields the dependence of the open-circuit voltage on the short-circuit current (or the illumination level).

A model of regional primary production for use with coarse resolution satellite data

NASA Technical Reports Server (NTRS)

Prince, S. D.

1991-01-01

A model of crop primary production, which was originally developed to relate the amount of absorbed photosynthetically active radiation (APAR) to net production in field studies, is discussed in the context of coarse resolution regional remote sensing of primary production. The model depends on an approximately linear relationship between APAR and the normalized difference vegetation index. A more comprehensive form of the conventional model is shown to be necessary when different physiological types of plants or heterogeneous vegetation types occur within the study area. The predicted variable in the new model is total assimilation (net production plus respiration) rather than net production alone or harvest yield.

Least-dependent-component analysis based on mutual information

NASA Astrophysics Data System (ADS)

Stögbauer, Harald; Kraskov, Alexander; Astakhov, Sergey A.; Grassberger, Peter

2004-12-01

We propose to use precise estimators of mutual information (MI) to find the least dependent components in a linearly mixed signal. On the one hand, this seems to lead to better blind source separation than with any other presently available algorithm. On the other hand, it has the advantage, compared to other implementations of “independent” component analysis (ICA), some of which are based on crude approximations for MI, that the numerical values of the MI can be used for (i) estimating residual dependencies between the output components; (ii) estimating the reliability of the output by comparing the pairwise MIs with those of remixed components; and (iii) clustering the output according to the residual interdependencies. For the MI estimator, we use a recently proposed k -nearest-neighbor-based algorithm. For time sequences, we combine this with delay embedding, in order to take into account nontrivial time correlations. After several tests with artificial data, we apply the resulting MILCA (mutual-information-based least dependent component analysis) algorithm to a real-world dataset, the ECG of a pregnant woman.

ASP: Automated symbolic computation of approximate symmetries of differential equations

NASA Astrophysics Data System (ADS)

Jefferson, G. F.; Carminati, J.

2013-03-01

A recent paper (Pakdemirli et al. (2004) [12]) compared three methods of determining approximate symmetries of differential equations. Two of these methods are well known and involve either a perturbation of the classical Lie symmetry generator of the differential system (Baikov, Gazizov and Ibragimov (1988) [7], Ibragimov (1996) [6]) or a perturbation of the dependent variable/s and subsequent determination of the classical Lie point symmetries of the resulting coupled system (Fushchych and Shtelen (1989) [11]), both up to a specified order in the perturbation parameter. The third method, proposed by Pakdemirli, Yürüsoy and Dolapçi (2004) [12], simplifies the calculations required by Fushchych and Shtelen's method through the assignment of arbitrary functions to the non-linear components prior to computing symmetries. All three methods have been implemented in the new MAPLE package ASP (Automated Symmetry Package) which is an add-on to the MAPLE symmetry package DESOLVII (Vu, Jefferson and Carminati (2012) [25]). To our knowledge, this is the first computer package to automate all three methods of determining approximate symmetries for differential systems. Extensions to the theory have also been suggested for the third method and which generalise the first method to systems of differential equations. Finally, a number of approximate symmetries and corresponding solutions are compared with results in the literature.

Band-filling of solution-synthesized CdS nanowires.

PubMed

Puthussery, James; Lan, Aidong; Kosel, Thomas H; Kuno, Masaru

2008-02-01

The band edge optical characterization of solution-synthesized CdS nanowires (NWs) is described. Investigated wires are made through a solution-liquid-solid approach that entails the use of low-melting bimetallic catalyst particles to seed NW growth. Resulting diameters are approximately 14 nm, and lengths exceed 1 microm. Ensemble diameter distributions are approximately 13%, with corresponding intrawire diameter variations of approximately 5%. High-resolution transmission electron micrographs show that the wires are highly crystalline and have the wurtzite structure with growth along at least two directions: [0001] and [1010]. Band edge emission is observed with estimated quantum yields between approximately 0.05% and 1%. Complementary photoluminescence excitation spectra show structure consistent with the linear absorption. Carrier cooling dynamics are subsequently examined through ensemble lifetime and transient differential absorption measurements. The former reveals unexpectedly long band edge decays that extend beyond tens of nanoseconds. The latter indicates rapid intraband carrier cooling on time scales of 300-400 fs. Subsequent recovery at the band edge contains significant Auger contributions at high intensities which are usurped by other, possibly surface-related, carrier relaxation pathways at lower intensities. Furthermore, an unusual intensity-dependent transient broadening is seen, connected with these long decays. The effect likely stems from band-filling on the basis of an analysis of observed spectral shifts and line widths.

Weber's gravitational force as static weak field approximation

NASA Astrophysics Data System (ADS)

Tiandho, Yuant

2016-02-01

Weber's gravitational force (WGF) is one of gravitational model that can accommodate a non-static system because it depends not only on the distance but also on the velocity and the acceleration. Unlike Newton's law of gravitation, WGF can predict the anomalous of Mercury and gravitational bending of light near massive object very well. Then, some researchers use WGF as an alternative model of gravitation and propose a new mechanics theory namely the relational mechanics theory. However, currently we have known that the theory of general relativity which proposed by Einstein can explain gravity with very accurate. Through the static weak field approximation for the non-relativistic object, we also have known that the theory of general relativity will reduce to Newton's law of gravity. In this work, we expand the static weak field approximation that compatible with relativistic object and we obtain a force equation which correspond to WGF. Therefore, WGF is more precise than Newton's gravitational law. The static-weak gravitational field that we used is a solution of the Einstein's equation in the vacuum that satisfy the linear field approximation. The expression of WGF with ξ = 1 and satisfy the requirement of energy conservation are obtained after resolving the geodesic equation. By this result, we can conclude that WGF can be derived from the general relativity.

A hybrid continuous-discrete method for stochastic reaction–diffusion processes

PubMed Central

Zheng, Likun; Nie, Qing

2016-01-01

Stochastic fluctuations in reaction–diffusion processes often have substantial effect on spatial and temporal dynamics of signal transductions in complex biological systems. One popular approach for simulating these processes is to divide the system into small spatial compartments assuming that molecules react only within the same compartment and jump between adjacent compartments driven by the diffusion. While the approach is convenient in terms of its implementation, its computational cost may become prohibitive when diffusive jumps occur significantly more frequently than reactions, as in the case of rapid diffusion. Here, we present a hybrid continuous-discrete method in which diffusion is simulated using continuous approximation while reactions are based on the Gillespie algorithm. Specifically, the diffusive jumps are approximated as continuous Gaussian random vectors with time-dependent means and covariances, allowing use of a large time step, even for rapid diffusion. By considering the correlation among diffusive jumps, the approximation is accurate for the second moment of the diffusion process. In addition, a criterion is obtained for identifying the region in which such diffusion approximation is required to enable adaptive calculations for better accuracy. Applications to a linear diffusion system and two nonlinear systems of morphogens demonstrate the effectiveness and benefits of the new hybrid method. PMID:27703710

Evolution of stochastic demography with life history tradeoffs in density-dependent age-structured populations.

PubMed

Lande, Russell; Engen, Steinar; Sæther, Bernt-Erik

2017-10-31

We analyze the stochastic demography and evolution of a density-dependent age- (or stage-) structured population in a fluctuating environment. A positive linear combination of age classes (e.g., weighted by body mass) is assumed to act as the single variable of population size, [Formula: see text], exerting density dependence on age-specific vital rates through an increasing function of population size. The environment fluctuates in a stationary distribution with no autocorrelation. We show by analysis and simulation of age structure, under assumptions often met by vertebrate populations, that the stochastic dynamics of population size can be accurately approximated by a univariate model governed by three key demographic parameters: the intrinsic rate of increase and carrying capacity in the average environment, [Formula: see text] and [Formula: see text], and the environmental variance in population growth rate, [Formula: see text] Allowing these parameters to be genetically variable and to evolve, but assuming that a fourth parameter, [Formula: see text], measuring the nonlinearity of density dependence, remains constant, the expected evolution maximizes [Formula: see text] This shows that the magnitude of environmental stochasticity governs the classical trade-off between selection for higher [Formula: see text] versus higher [Formula: see text] However, selection also acts to decrease [Formula: see text], so the simple life-history trade-off between [Formula: see text]- and [Formula: see text]-selection may be obscured by additional trade-offs between them and [Formula: see text] Under the classical logistic model of population growth with linear density dependence ([Formula: see text]), life-history evolution in a fluctuating environment tends to maximize the average population size. Published under the PNAS license.

Effects of isobutyrate supplementation on ruminal microflora, rumen enzyme activities and methane emissions in Simmental steers.

PubMed

Wang, C; Liu, Q; Zhang, Y L; Pei, C X; Zhang, S L; Wang, Y X; Yang, W Z; Bai, Y S; Shi, Z G; Liu, X N

2015-02-01

The objective of this study was to evaluate the effects of isobutyrate supplementation on rumen microflora, enzyme activities and methane emissions in Simmental steers consuming a corn stover-based diet. Eight ruminally cannulated Simmental steers were used in a replicated 4 × 4 Latin square experiment. The treatments were control (without isobutyrate), low isobutyrate (LIB), moderate isobutyrate (MIB) and high isobutyrate (HIB) with 8.4, 16.8 and 25.2 g isobutyrate per steer per day respectively. Isobutyrate was hand-mixed into the concentrate portion. Diet consisted of 60% corn stover and 40% concentrate [dry matter (DM) basis]. Dry matter intake (averaged 9 kg/day) was restricted to a maximum of 90% of ad libitum intake. Population of total bacteria, cellulolytic bacteria and anaerobic fungi were linearly increased, whereas that of protozoa and total methanogens was linearly reduced with increasing isobutyrate supplementation. Real-time PCR quantification of population of Ruminococcus albus, Ruminococcus flavefaciens, Butyrivibrio fibrisolvens and Fibrobacter succinogenes was linearly increased with increasing isobutyrate supplementation. Activities of carboxymethyl cellulase, xylanase and β-glucosidase were linearly increased, whereas that of protease was linearly reduced. Methane production was linearly decreased with increasing isobutyrate supplementation. Effective degradabilities of cellulose and hemicellulose of corn stover were linearly increased, whereas that of crude protein in diet was linearly decreased with increasing isobutyrate supplementation. The present results indicate that isobutyrate supplemented improved microflora, rumen enzyme activities and methane emissions in steers. It was suggested that the isobutyrate stimulated the digestive micro-organisms or enzymes in a dose-dependent manner. In the experimental conditions of this trial, the optimum isobutyrate dose was approximately 16.8 g isobutyrate per steer per day. Journal of Animal Physiology and Animal Nutrition © 2014 Blackwell Verlag GmbH.

Algorithms for sorting unsigned linear genomes by the DCJ operations.

PubMed

Jiang, Haitao; Zhu, Binhai; Zhu, Daming

2011-02-01

The double cut and join operation (abbreviated as DCJ) has been extensively used for genomic rearrangement. Although the DCJ distance between signed genomes with both linear and circular (uni- and multi-) chromosomes is well studied, the only known result for the NP-complete unsigned DCJ distance problem is an approximation algorithm for unsigned linear unichromosomal genomes. In this article, we study the problem of computing the DCJ distance on two unsigned linear multichromosomal genomes (abbreviated as UDCJ). We devise a 1.5-approximation algorithm for UDCJ by exploiting the distance formula for signed genomes. In addition, we show that UDCJ admits a weak kernel of size 2k and hence an FPT algorithm running in O(2(2k)n) time.

Prediction of the Main Engine Power of a New Container Ship at the Preliminary Design Stage

NASA Astrophysics Data System (ADS)

Cepowski, Tomasz

2017-06-01

The paper presents mathematical relationships that allow us to forecast the estimated main engine power of new container ships, based on data concerning vessels built in 2005-2015. The presented approximations allow us to estimate the engine power based on the length between perpendiculars and the number of containers the ship will carry. The approximations were developed using simple linear regression and multivariate linear regression analysis. The presented relations have practical application for estimation of container ship engine power needed in preliminary parametric design of the ship. It follows from the above that the use of multiple linear regression to predict the main engine power of a container ship brings more accurate solutions than simple linear regression.

Linear and non-linear dynamic models of a geared rotor-bearing system

NASA Technical Reports Server (NTRS)

Kahraman, Ahmet; Singh, Rajendra

1990-01-01

A three degree of freedom non-linear model of a geared rotor-bearing system with gear backlash and radial clearances in rolling element bearings is proposed here. This reduced order model can be used to describe the transverse-torsional motion of the system. It is justified by comparing the eigen solutions yielded by corresponding linear model with the finite element method results. Nature of nonlinearities in bearings is examined and two approximate nonlinear stiffness functions are proposed. These approximate bearing models are verified by comparing their frequency responses with the results given by the exact form of nonlinearity. The proposed nonlinear dynamic model of the geared rotor-bearing system can be used to investigate the dynamic behavior and chaos.

Exploring inductive linearization for pharmacokinetic-pharmacodynamic systems of nonlinear ordinary differential equations.

PubMed

Hasegawa, Chihiro; Duffull, Stephen B

2018-02-01

Pharmacokinetic-pharmacodynamic systems are often expressed with nonlinear ordinary differential equations (ODEs). While there are numerous methods to solve such ODEs these methods generally rely on time-stepping solutions (e.g. Runge-Kutta) which need to be matched to the characteristics of the problem at hand. The primary aim of this study was to explore the performance of an inductive approximation which iteratively converts nonlinear ODEs to linear time-varying systems which can then be solved algebraically or numerically. The inductive approximation is applied to three examples, a simple nonlinear pharmacokinetic model with Michaelis-Menten elimination (E1), an integrated glucose-insulin model and an HIV viral load model with recursive feedback systems (E2 and E3, respectively). The secondary aim of this study was to explore the potential advantages of analytically solving linearized ODEs with two examples, again E3 with stiff differential equations and a turnover model of luteinizing hormone with a surge function (E4). The inductive linearization coupled with a matrix exponential solution provided accurate predictions for all examples with comparable solution time to the matched time-stepping solutions for nonlinear ODEs. The time-stepping solutions however did not perform well for E4, particularly when the surge was approximated by a square wave. In circumstances when either a linear ODE is particularly desirable or the uncertainty in matching the integrator to the ODE system is of potential risk, then the inductive approximation method coupled with an analytical integration method would be an appropriate alternative.

Criterion for estimation of stress-deformed state of SD-materials

NASA Astrophysics Data System (ADS)

Orekhov, Andrey V.

2018-05-01

A criterion is proposed that determines the moment when the growth pattern of the monotonic numerical sequence varies from the linear to the parabolic one. The criterion is based on the comparison of squares of errors for the linear and the incomplete quadratic approximation. The approximating functions are constructed locally, only at those points that are located near a possible change in nature of the increase in the sequence.

Photogrammetric Processing of Planetary Linear Pushbroom Images Based on Approximate Orthophotos

NASA Astrophysics Data System (ADS)

Geng, X.; Xu, Q.; Xing, S.; Hou, Y. F.; Lan, C. Z.; Zhang, J. J.

2018-04-01

It is still a great challenging task to efficiently produce planetary mapping products from orbital remote sensing images. There are many disadvantages in photogrammetric processing of planetary stereo images, such as lacking ground control information and informative features. Among which, image matching is the most difficult job in planetary photogrammetry. This paper designs a photogrammetric processing framework for planetary remote sensing images based on approximate orthophotos. Both tie points extraction for bundle adjustment and dense image matching for generating digital terrain model (DTM) are performed on approximate orthophotos. Since most of planetary remote sensing images are acquired by linear scanner cameras, we mainly deal with linear pushbroom images. In order to improve the computational efficiency of orthophotos generation and coordinates transformation, a fast back-projection algorithm of linear pushbroom images is introduced. Moreover, an iteratively refined DTM and orthophotos scheme was adopted in the DTM generation process, which is helpful to reduce search space of image matching and improve matching accuracy of conjugate points. With the advantages of approximate orthophotos, the matching results of planetary remote sensing images can be greatly improved. We tested the proposed approach with Mars Express (MEX) High Resolution Stereo Camera (HRSC) and Lunar Reconnaissance Orbiter (LRO) Narrow Angle Camera (NAC) images. The preliminary experimental results demonstrate the feasibility of the proposed approach.

Approximate reduction of linear population models governed by stochastic differential equations: application to multiregional models.

PubMed

Sanz, Luis; Alonso, Juan Antonio

2017-12-01

In this work we develop approximate aggregation techniques in the context of slow-fast linear population models governed by stochastic differential equations and apply the results to the treatment of populations with spatial heterogeneity. Approximate aggregation techniques allow one to transform a complex system involving many coupled variables and in which there are processes with different time scales, by a simpler reduced model with a fewer number of 'global' variables, in such a way that the dynamics of the former can be approximated by that of the latter. In our model we contemplate a linear fast deterministic process together with a linear slow process in which the parameters are affected by additive noise, and give conditions for the solutions corresponding to positive initial conditions to remain positive for all times. By letting the fast process reach equilibrium we build a reduced system with a lesser number of variables, and provide results relating the asymptotic behaviour of the first- and second-order moments of the population vector for the original and the reduced system. The general technique is illustrated by analysing a multiregional stochastic system in which dispersal is deterministic and the rate growth of the populations in each patch is affected by additive noise.

Measures of GCM Performance as Functions of Model Parameters Affecting Clouds and Radiation

NASA Astrophysics Data System (ADS)

Jackson, C.; Mu, Q.; Sen, M.; Stoffa, P.

2002-05-01

This abstract is one of three related presentations at this meeting dealing with several issues surrounding optimal parameter and uncertainty estimation of model predictions of climate. Uncertainty in model predictions of climate depends in part on the uncertainty produced by model approximations or parameterizations of unresolved physics. Evaluating these uncertainties is computationally expensive because one needs to evaluate how arbitrary choices for any given combination of model parameters affects model performance. Because the computational effort grows exponentially with the number of parameters being investigated, it is important to choose parameters carefully. Evaluating whether a parameter is worth investigating depends on two considerations: 1) does reasonable choices of parameter values produce a large range in model response relative to observational uncertainty? and 2) does the model response depend non-linearly on various combinations of model parameters? We have decided to narrow our attention to selecting parameters that affect clouds and radiation, as it is likely that these parameters will dominate uncertainties in model predictions of future climate. We present preliminary results of ~20 to 30 AMIPII style climate model integrations using NCAR's CCM3.10 that show model performance as functions of individual parameters controlling 1) critical relative humidity for cloud formation (RHMIN), and 2) boundary layer critical Richardson number (RICR). We also explore various definitions of model performance that include some or all observational data sources (surface air temperature and pressure, meridional and zonal winds, clouds, long and short-wave cloud forcings, etc...) and evaluate in a few select cases whether the model's response depends non-linearly on the parameter values we have selected.

A structure-preserving split finite element discretization of the split 1D linear shallow-water equations

NASA Astrophysics Data System (ADS)

Bauer, Werner; Behrens, Jörn

2017-04-01

We present a locally conservative, low-order finite element (FE) discretization of the covariant 1D linear shallow-water equations written in split form (cf. tet{[1]}). The introduction of additional differential forms (DF) that build pairs with the original ones permits a splitting of these equations into topological momentum and continuity equations and metric-dependent closure equations that apply the Hodge-star. Our novel discretization framework conserves this geometrical structure, in particular it provides for all DFs proper FE spaces such that the differential operators (here gradient and divergence) hold in strong form. The discrete topological equations simply follow by trivial projections onto piecewise constant FE spaces without need to partially integrate. The discrete Hodge-stars operators, representing the discretized metric equations, are realized by nontrivial Galerkin projections (GP). Here they follow by projections onto either a piecewise constant (GP0) or a piecewise linear (GP1) space. Our framework thus provides essentially three different schemes with significantly different behavior. The split scheme using twice GP1 is unstable and shares the same discrete dispersion relation and similar second-order convergence rates as the conventional P1-P1 FE scheme that approximates both velocity and height variables by piecewise linear spaces. The split scheme that applies both GP1 and GP0 is stable and shares the dispersion relation of the conventional P1-P0 FE scheme that approximates the velocity by a piecewise linear and the height by a piecewise constant space with corresponding second- and first-order convergence rates. Exhibiting for both velocity and height fields second-order convergence rates, we might consider the split GP1-GP0 scheme though as stable versions of the conventional P1-P1 FE scheme. For the split scheme applying twice GP0, we are not aware of a corresponding conventional formulation to compare with. Though exhibiting larger absolute error values, it shows similar convergence rates as the other split schemes, but does not provide a satisfactory approximation of the dispersion relation as short waves are propagated much to fast. Despite this, the finding of this new scheme illustrates the potential of our discretization framework as a toolbox to find and to study new FE schemes based on new combinations of FE spaces. [1] Bauer, W. [2016], A new hierarchically-structured n-dimensional covariant form of rotating equations of geophysical fluid dynamics, GEM - International Journal on Geomathematics, 7(1), 31-101.

Physicochemical controls on absorbed water film thickness in unsaturated geological media

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

Tokunaga, T.

2011-06-14

Adsorbed water films commonly coat mineral surfaces in unsaturated soils and rocks, reducing flow and transport rates. Therefore, it is important to understand how adsorbed film thickness depends on matric potential, surface chemistry, and solution chemistry. Here, the problem of adsorbed water film thickness is examined through combining capillary scaling with the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. Novel aspects of this analysis include determining capillary influences on film thicknesses, and incorporating solution chemistry-dependent electrostatic potential at air-water interfaces. Capillary analysis of monodisperse packings of spherical grains provided estimated ranges of matric potentials where adsorbed films are stable, and showed that pendular ringsmore » within drained porous media retain most of the 'residual' water except under very low matric potentials. Within drained pores, capillary contributions to thinning of adsorbed films on spherical grains are shown to be small, such that DLVO calculations for flat surfaces are suitable approximations. Hamaker constants of common soil minerals were obtained to determine ranges of the dispersion component to matric potential-dependent film thickness. The pressure component associated with electrical double layer forces was estimated using the compression and linear superposition approximations. The pH-dependent electrical double layer pressure component is the dominant contribution to film thicknesses at intermediate values of matric potential, especially in lower ionic strength solutions (< 10 mol m{sup -3}) on surfaces with higher magnitude electrostatic potentials (more negative than - 50 mV). Adsorbed water films are predicted to usually range in thickness from 1 to 20 nm in drained pores and fractures of unsaturated environments.« less

Physicochemical controls on adsorbed water film thickness in unsaturated geological media

NASA Astrophysics Data System (ADS)

Tokunaga, Tetsu K.

2011-08-01

Adsorbed water films commonly coat mineral surfaces in unsaturated soils and rocks, reducing flow and transport rates. Therefore, it is important to understand how adsorbed film thickness depends on matric potential, surface chemistry, and solution chemistry. Here the problem of adsorbed water film thickness is examined by combining capillary scaling with the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. Novel aspects of this analysis include determining capillary influences on film thicknesses and incorporating solution chemistry-dependent electrostatic potential at air-water interfaces. Capillary analysis of monodisperse packings of spherical grains provided estimated ranges of matric potentials where adsorbed films are stable and showed that pendular rings within drained porous media retain most of the "residual" water except under very low matric potentials. Within drained pores, capillary contributions to thinning of adsorbed films on spherical grains are shown to be small, such that DLVO calculations for flat surfaces are suitable approximations. Hamaker constants of common soil minerals were obtained to determine ranges of the dispersion component to matric potential-dependent film thickness. The pressure component associated with electrical double-layer forces was estimated using the compression and linear superposition approximations. The pH-dependent electrical double-layer pressure component is the dominant contribution to film thicknesses at intermediate values of matric potential, especially in lower ionic strength solutions (<10 mol m-3) on surfaces with higher-magnitude electrostatic potentials (more negative than ≈-50 mV). Adsorbed water films are predicted to usually range in thickness from ≈1 to 20 nm in drained pores and fractures of unsaturated environments.

A new method to approximate load-displacement relationships of spinal motion segments for patient-specific multi-body models of scoliotic spine.

PubMed

Jalalian, Athena; Tay, Francis E H; Arastehfar, Soheil; Liu, Gabriel

2017-06-01

Load-displacement relationships of spinal motion segments are crucial factors in characterizing the stiffness of scoliotic spine models to mimic the spine responses to loads. Although nonlinear approach to approximation of the relationships can be superior to linear ones, little mention has been made to deriving personalized nonlinear load-displacement relationships in previous studies. A method is developed for nonlinear approximation of load-displacement relationships of spinal motion segments to assist characterizing in vivo the stiffness of spine models. We propose approximation by tangent functions and focus on rotational displacements in lateral direction. The tangent functions are characterized using lateral bending test. A multi-body model was characterized to 18 patients and utilized to simulate four spine positions; right bending, left bending, neutral, and traction. The same was done using linear functions to assess the performance of the proposed tangent function in comparison with the linear function. Root-mean-square error (RMSE) of the displacements estimated by the tangent functions was 44 % smaller than the linear functions. This shows the ability of our tangent function in approximation of the relationships for a range of infinitesimal to large displacements involved in the spine movement to the four positions. In addition, the models based on the tangent functions yielded 67, 55, and 39 % smaller RMSEs of Ferguson angles, locations of vertebrae, and orientations of vertebrae, respectively, implying better estimates of spine responses to loads. Overall, it can be concluded that our method for approximating load-displacement relationships of spinal motion segments can offer good estimates of scoliotic spine stiffness.

Asymptotic aspect of derivations in Banach algebras.

PubMed

Roh, Jaiok; Chang, Ick-Soon

2017-01-01

We prove that every approximate linear left derivation on a semisimple Banach algebra is continuous. Also, we consider linear derivations on Banach algebras and we first study the conditions for a linear derivation on a Banach algebra. Then we examine the functional inequalities related to a linear derivation and their stability. We finally take central linear derivations with radical ranges on semiprime Banach algebras and a continuous linear generalized left derivation on a semisimple Banach algebra.

The Linear Bias in the Zeldovich Approximation and a Relation between the Number Density and the Linear Bias of Dark Halos

NASA Astrophysics Data System (ADS)

Fan, Zuhui

2000-01-01

The linear bias of the dark halos from a model under the Zeldovich approximation is derived and compared with the fitting formula of simulation results. While qualitatively similar to the Press-Schechter formula, this model gives a better description for the linear bias around the turnaround point. This advantage, however, may be compromised by the large uncertainty of the actual behavior of the linear bias near the turnaround point. For a broad class of structure formation models in the cold dark matter framework, a general relation exists between the number density and the linear bias of dark halos. This relation can be readily tested by numerical simulations. Thus, instead of laboriously checking these models one by one, numerical simulation studies can falsify a whole category of models. The general validity of this relation is important in identifying key physical processes responsible for the large-scale structure formation in the universe.

Axioms of adaptivity

PubMed Central

Carstensen, C.; Feischl, M.; Page, M.; Praetorius, D.

2014-01-01

This paper aims first at a simultaneous axiomatic presentation of the proof of optimal convergence rates for adaptive finite element methods and second at some refinements of particular questions like the avoidance of (discrete) lower bounds, inexact solvers, inhomogeneous boundary data, or the use of equivalent error estimators. Solely four axioms guarantee the optimality in terms of the error estimators. Compared to the state of the art in the temporary literature, the improvements of this article can be summarized as follows: First, a general framework is presented which covers the existing literature on optimality of adaptive schemes. The abstract analysis covers linear as well as nonlinear problems and is independent of the underlying finite element or boundary element method. Second, efficiency of the error estimator is neither needed to prove convergence nor quasi-optimal convergence behavior of the error estimator. In this paper, efficiency exclusively characterizes the approximation classes involved in terms of the best-approximation error and data resolution and so the upper bound on the optimal marking parameters does not depend on the efficiency constant. Third, some general quasi-Galerkin orthogonality is not only sufficient, but also necessary for the R-linear convergence of the error estimator, which is a fundamental ingredient in the current quasi-optimality analysis due to Stevenson 2007. Finally, the general analysis allows for equivalent error estimators and inexact solvers as well as different non-homogeneous and mixed boundary conditions. PMID:25983390

Fully decoupled monolithic projection method for natural convection problems

NASA Astrophysics Data System (ADS)

Pan, Xiaomin; Kim, Kyoungyoun; Lee, Changhoon; Choi, Jung-Il

2017-04-01

To solve time-dependent natural convection problems, we propose a fully decoupled monolithic projection method. The proposed method applies the Crank-Nicolson scheme in time and the second-order central finite difference in space. To obtain a non-iterative monolithic method from the fully discretized nonlinear system, we first adopt linearizations of the nonlinear convection terms and the general buoyancy term with incurring second-order errors in time. Approximate block lower-upper decompositions, along with an approximate factorization technique, are additionally employed to a global linearly coupled system, which leads to several decoupled subsystems, i.e., a fully decoupled monolithic procedure. We establish global error estimates to verify the second-order temporal accuracy of the proposed method for velocity, pressure, and temperature in terms of a discrete l2-norm. Moreover, according to the energy evolution, the proposed method is proved to be stable if the time step is less than or equal to a constant. In addition, we provide numerical simulations of two-dimensional Rayleigh-Bénard convection and periodic forced flow. The results demonstrate that the proposed method significantly mitigates the time step limitation, reduces the computational cost because only one Poisson equation is required to be solved, and preserves the second-order temporal accuracy for velocity, pressure, and temperature. Finally, the proposed method reasonably predicts a three-dimensional Rayleigh-Bénard convection for different Rayleigh numbers.

Theory of polyelectrolytes in solvents.

PubMed

Chitanvis, Shirish M

2003-12-01

Using a continuum description, we account for fluctuations in the ionic solvent surrounding a Gaussian, charged chain and derive an effective short-ranged potential between the charges on the chain. This potential is repulsive at short separations and attractive at longer distances. The chemical potential can be derived from this potential. When the chemical potential is positive, it leads to a meltlike state. For a vanishingly low concentration of segments, this state exhibits scaling behavior for long chains. The Flory exponent characterizing the radius of gyration for long chains is calculated to be approximately 0.63, close to the classical value obtained for second order phase transitions. For short chains, the radius of gyration varies linearly with N, the chain length, and is sensitive to the parameters in the interaction potential. The linear dependence on the chain length N indicates a stiff behavior. The chemical potential associated with this interaction changes sign, when the screening length in the ionic solvent exceeds a critical value. This leads to condensation when the chemical potential is negative. In this state, it is shown using the mean-field approximation that spherical and toroidal condensed shapes can be obtained. The thickness of the toroidal polyelectrolyte is studied as a function of the parameters of the model, such as the ionic screening length. The predictions of this theory should be amenable to experimental verification.

A molecularly based theory for electron transfer reorganization energy.

PubMed

Zhuang, Bilin; Wang, Zhen-Gang

2015-12-14

Using field-theoretic techniques, we develop a molecularly based dipolar self-consistent-field theory (DSCFT) for charge solvation in pure solvents under equilibrium and nonequilibrium conditions and apply it to the reorganization energy of electron transfer reactions. The DSCFT uses a set of molecular parameters, such as the solvent molecule's permanent dipole moment and polarizability, thus avoiding approximations that are inherent in treating the solvent as a linear dielectric medium. A simple, analytical expression for the free energy is obtained in terms of the equilibrium and nonequilibrium electrostatic potential profiles and electric susceptibilities, which are obtained by solving a set of self-consistent equations. With no adjustable parameters, the DSCFT predicts activation energies and reorganization energies in good agreement with previous experiments and calculations for the electron transfer between metallic ions. Because the DSCFT is able to describe the properties of the solvent in the immediate vicinity of the charges, it is unnecessary to distinguish between the inner-sphere and outer-sphere solvent molecules in the calculation of the reorganization energy as in previous work. Furthermore, examining the nonequilibrium free energy surfaces of electron transfer, we find that the nonequilibrium free energy is well approximated by a double parabola for self-exchange reactions, but the curvature of the nonequilibrium free energy surface depends on the charges of the electron-transferring species, contrary to the prediction by the linear dielectric theory.

Fluid displacement between two parallel plates: a non-empirical model displaying change of type from hyperbolic to elliptic equations

NASA Astrophysics Data System (ADS)

Shariati, M.; Talon, L.; Martin, J.; Rakotomalala, N.; Salin, D.; Yortsos, Y. C.

2004-11-01

We consider miscible displacement between parallel plates in the absence of diffusion, with a concentration-dependent viscosity. By selecting a piecewise viscosity function, this can also be considered as ‘three-fluid’ flow in the same geometry. Assuming symmetry across the gap and based on the lubrication (‘equilibrium’) approximation, a description in terms of two quasi-linear hyperbolic equations is obtained. We find that the system is hyperbolic and can be solved analytically, when the mobility profile is monotonic, or when the mobility of the middle phase is smaller than its neighbours. When the mobility of the middle phase is larger, a change of type is displayed, an elliptic region developing in the composition space. Numerical solutions of Riemann problems of the hyperbolic system spanning the elliptic region, with small diffusion added, show good agreement with the analytical outside, but an unstable behaviour inside the elliptic region. In these problems, the elliptic region arises precisely at the displacement front. Crossing the elliptic region requires the solution of essentially an eigenvalue problem of the full higher-dimensional model, obtained here using lattice BGK simulations. The hyperbolic-to-elliptic change-of-type reflects the failing of the lubrication approximation, underlying the quasi-linear hyperbolic formalism, to describe the problem uniformly. The obtained solution is analogous to non-classical shocks recently suggested in problems with change of type.

Angular Size Test on the Expansion of the Universe

NASA Astrophysics Data System (ADS)

López-Corredoira, Martín

Assuming the standard cosmological model to be correct, the average linear size of the galaxies with the same luminosity is six times smaller at z = 3.2 than at z = 0; and their average angular size for a given luminosity is approximately proportional to z-1. Neither the hypothesis that galaxies which formed earlier have much higher densities nor their luminosity evolution, merger ratio, and massive outflows due to a quasar feedback mechanism are enough to justify such a strong size evolution. Also, at high redshift, the intrinsic ultraviolet surface brightness would be prohibitively high with this evolution, and the velocity dispersion much higher than observed. We explore here another possibility of overcoming this problem: considering different cosmological scenarios, which might make the observed angular sizes compatible with a weaker evolution. One of the explored models, a very simple phenomenological extrapolation of the linear Hubble law in a Euclidean static universe, fits quite well the angular size versus redshift dependence, also approximately proportional to z-1 with this cosmological model. There are no free parameters derived ad hoc, although the error bars allow a slight size/luminosity evolution. The supernova Ia Hubble diagram can also be explained in terms of this model without any ad-hoc-fitted parameter. NB: I do not argue here that the true universe is static. My intention is just to discuss which intellectual theoretical models fit better some data of the observational cosmology.

STRONG ORACLE OPTIMALITY OF FOLDED CONCAVE PENALIZED ESTIMATION.

PubMed

Fan, Jianqing; Xue, Lingzhou; Zou, Hui

2014-06-01

Folded concave penalization methods have been shown to enjoy the strong oracle property for high-dimensional sparse estimation. However, a folded concave penalization problem usually has multiple local solutions and the oracle property is established only for one of the unknown local solutions. A challenging fundamental issue still remains that it is not clear whether the local optimum computed by a given optimization algorithm possesses those nice theoretical properties. To close this important theoretical gap in over a decade, we provide a unified theory to show explicitly how to obtain the oracle solution via the local linear approximation algorithm. For a folded concave penalized estimation problem, we show that as long as the problem is localizable and the oracle estimator is well behaved, we can obtain the oracle estimator by using the one-step local linear approximation. In addition, once the oracle estimator is obtained, the local linear approximation algorithm converges, namely it produces the same estimator in the next iteration. The general theory is demonstrated by using four classical sparse estimation problems, i.e., sparse linear regression, sparse logistic regression, sparse precision matrix estimation and sparse quantile regression.

STRONG ORACLE OPTIMALITY OF FOLDED CONCAVE PENALIZED ESTIMATION

PubMed Central

Fan, Jianqing; Xue, Lingzhou; Zou, Hui

2014-01-01

Folded concave penalization methods have been shown to enjoy the strong oracle property for high-dimensional sparse estimation. However, a folded concave penalization problem usually has multiple local solutions and the oracle property is established only for one of the unknown local solutions. A challenging fundamental issue still remains that it is not clear whether the local optimum computed by a given optimization algorithm possesses those nice theoretical properties. To close this important theoretical gap in over a decade, we provide a unified theory to show explicitly how to obtain the oracle solution via the local linear approximation algorithm. For a folded concave penalized estimation problem, we show that as long as the problem is localizable and the oracle estimator is well behaved, we can obtain the oracle estimator by using the one-step local linear approximation. In addition, once the oracle estimator is obtained, the local linear approximation algorithm converges, namely it produces the same estimator in the next iteration. The general theory is demonstrated by using four classical sparse estimation problems, i.e., sparse linear regression, sparse logistic regression, sparse precision matrix estimation and sparse quantile regression. PMID:25598560

Substrate mass transfer: analytical approach for immobilized enzyme reactions

NASA Astrophysics Data System (ADS)

Senthamarai, R.; Saibavani, T. N.

2018-04-01

In this paper, the boundary value problem in immobilized enzyme reactions is formulated and approximate expression for substrate concentration without external mass transfer resistance is presented. He’s variational iteration method is used to give approximate and analytical solutions of non-linear differential equation containing a non linear term related to enzymatic reaction. The relevant analytical solution for the dimensionless substrate concentration profile is discussed in terms of dimensionless reaction parameters α and β.

Assessing the Utility of Compound Trait Estimates of Narrow Personality Traits.

PubMed

Credé, Marcus; Harms, Peter D; Blacksmith, Nikki; Wood, Dustin

2016-01-01

It has been argued that approximations of narrow traits can be made through linear combinations of broad traits such as the Big Five personality traits. Indeed, Hough and Ones ( 2001 ) used a qualitative analysis of scale content to arrive at a taxonomy of how Big Five traits might be combined to approximate various narrow traits. However, the utility of such compound trait approximations has yet to be established beyond specific cases such as integrity and customer service orientation. Using data from the Eugene-Springfield Community Sample (Goldberg, 2008 ), we explore the ability of linear composites of scores on Big Five traits to approximate scores on 127 narrow trait measures from 5 well-known non-Big-Five omnibus measures of personality. Our findings indicate that individuals' standing on more than 30 narrow traits can be well estimated from 3 different types of linear composites of scores on Big Five traits without a substantial sacrifice in criterion validity. We discuss theoretical accounts for why such relationships exist as well as the theoretical and practical implications of these findings for researchers and practitioners.

A Numerical Approximation Framework for the Stochastic Linear Quadratic Regulator on Hilbert Spaces

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

Levajković, Tijana, E-mail: tijana.levajkovic@uibk.ac.at, E-mail: t.levajkovic@sf.bg.ac.rs; Mena, Hermann, E-mail: hermann.mena@uibk.ac.at; Tuffaha, Amjad, E-mail: atufaha@aus.edu

We present an approximation framework for computing the solution of the stochastic linear quadratic control problem on Hilbert spaces. We focus on the finite horizon case and the related differential Riccati equations (DREs). Our approximation framework is concerned with the so-called “singular estimate control systems” (Lasiecka in Optimal control problems and Riccati equations for systems with unbounded controls and partially analytic generators: applications to boundary and point control problems, 2004) which model certain coupled systems of parabolic/hyperbolic mixed partial differential equations with boundary or point control. We prove that the solutions of the approximate finite-dimensional DREs converge to the solutionmore » of the infinite-dimensional DRE. In addition, we prove that the optimal state and control of the approximate finite-dimensional problem converge to the optimal state and control of the corresponding infinite-dimensional problem.« less

Spin-density fluctuations and the fluctuation-dissipation theorem in 3 d ferromagnetic metals

DOE PAGES

Wysocki, Alex L.; Valmispild, V. N.; Kutepov, A.; ...

2017-11-15

Spatial and time scales of spin-density fluctuations (SDFs) were analyzed in 3d ferromagnets using ab initio linear-response calculations of complete wave-vector and energy dependence of the dynamic spin susceptibility tensor. We demonstrate that SDFs are spread continuously over the entire Brillouin zone and while the majority of them reside within the 3d bandwidth, a significant amount comes from much higher energies. A validity of the adiabatic approximation in spin dynamics is discussed. The SDF spectrum is shown to have two main constituents: a minor low-energy spin-wave contribution and a much larger high-energy component from more localized excitations. Furthermore, using themore » fluctuation-dissipation theorem, the on-site spin correlator and the related effective fluctuating moment were properly evaluated and their universal dependence on the 3d band population is further discussed.« less

Adiabatic description of superfocusing of femtosecond plasmon polaritons

NASA Astrophysics Data System (ADS)

Golovinski, P. A.; Manuylovich, E. S.; Astapenko, V. A.

2018-05-01

A surface plasmon polariton is a collective oscillation of free electrons at a metal-dielectric interface. As wave phenomena, surface plasmon polaritons can be focused with the use of an appropriate excitation geometry of metal structures. In the adiabatic approximation, we demonstrate a possibility to control nanoscale short pulse superfocusing based on generation of a radially polarized surface plasmon polariton mode of a conical metal needle in view of wave reflection. The results of numerical simulations of femtosecond pulse propagation along a nanoneedle are discussed. The space-time evolution of a pulse for the near field strongly depends on a linear chirp of an initial laser pulse, which can partially compensate wave dispersion. The field distribution is calculated for different metals, chirp parameters, cone opening angles and propagation distances. The electric field near a sharp tip is described as a field of a fictitious time-dependent electric dipole located at the tip apex.

Helicity evolution at small-x

DOE PAGES

Kovchegov, Yuri V.; Pitonyak, Daniel; Sievert, Matthew D.

2016-01-13

We construct small-x evolution equations which can be used to calculate quark and anti-quark helicity TMDs and PDFs, along with the g1 structure function. These evolution equations resum powers of α s ln 2(1/x) in the polarization-dependent evolution along with the powers of α s ln(1/x) in the unpolarized evolution which includes saturation efects. The equations are written in an operator form in terms of polarization-dependent Wilson line-like operators. While the equations do not close in general, they become closed and self-contained systems of non-linear equations in the large-N c and large-N c & N f limits. As a cross-check,more » in the ladder approximation, our equations map onto the same ladder limit of the infrared evolution equations for g 1 structure function derived previously by Bartels, Ermolaev and Ryskin.« less

Resistance distribution in the hopping percolation model.

PubMed

Strelniker, Yakov M; Havlin, Shlomo; Berkovits, Richard; Frydman, Aviad

2005-07-01

We study the distribution function P (rho) of the effective resistance rho in two- and three-dimensional random resistor networks of linear size L in the hopping percolation model. In this model each bond has a conductivity taken from an exponential form sigma proportional to exp (-kappar) , where kappa is a measure of disorder and r is a random number, 0< or = r < or =1 . We find that in both the usual strong-disorder regime L/ kappa(nu) >1 (not sensitive to removal of any single bond) and the extreme-disorder regime L/ kappa(nu) <1 (very sensitive to such a removal) the distribution depends only on L/kappa(nu) and can be well approximated by a log-normal function with dispersion b kappa(nu) /L , where b is a coefficient which depends on the type of lattice, and nu is the correlation critical exponent.

Effect of Al doping on thermoelectric power of Mg1-xAlxB2 phonon drag and carrier diffusion contribution

NASA Astrophysics Data System (ADS)

Singh, Namita; Sharma, Roopam; Khenata, R.; Varshney, Dinesh

2018-05-01

The carrier diffusion contribution to the thermoelectric power (Scdiff) is calculated for MgB2, Mg0.9A10.1B2 and drag Mg0.8Al0.2B2 within two energy gap method. The phonon drag thermoelectric power (Sphdrag) in normal state dominate and is an artifact of strong phonon-impurity and phonon scattering mechanism. The conductivity within the relaxation time approximation for π and σ band carriers has been taken into account ignoring a possible energy dependence of the scattering rates. Both these channels for heat transfer are clubbed to get total thermoelectric power (Stotal) which starts departing from linear temperature dependence at about 150 K, before increasing at higher temperatures weakly. The anomalies reported are well accounted in terms of the scattering mechanism by phonon drag and carrier scattering with impurities, shows similar results as those revealed from experiments.

First-passage dynamics of linear stochastic interface models: weak-noise theory and influence of boundary conditions

NASA Astrophysics Data System (ADS)

Gross, Markus

2018-03-01

We consider a one-dimensional fluctuating interfacial profile governed by the Edwards–Wilkinson or the stochastic Mullins-Herring equation for periodic, standard Dirichlet and Dirichlet no-flux boundary conditions. The minimum action path of an interfacial fluctuation conditioned to reach a given maximum height M at a finite (first-passage) time T is calculated within the weak-noise approximation. Dynamic and static scaling functions for the profile shape are obtained in the transient and the equilibrium regime, i.e. for first-passage times T smaller or larger than the characteristic relaxation time, respectively. In both regimes, the profile approaches the maximum height M with a universal algebraic time dependence characterized solely by the dynamic exponent of the model. It is shown that, in the equilibrium regime, the spatial shape of the profile depends sensitively on boundary conditions and conservation laws, but it is essentially independent of them in the transient regime.

Numerical investigation of flow structure and pressure pulsation in the Francis-99 turbine during startup

NASA Astrophysics Data System (ADS)

Minakov, A.; Sentyabov, A.; Platonov, D.

2017-01-01

We performed numerical simulation of flow in a laboratory model of a Francis hydroturbine at startup regimes. Numerical technique for calculating of low frequency pressure pulsations in a water turbine is based on the use of DES (k-ω Shear Stress Transport) turbulence model and the approach of “frozen rotor”. The structure of the flow behind the runner of turbine was analysed. Shows the effect of flow structure on the frequency and intensity of non-stationary processes in the flow path. Two version of the inlet boundary conditions were considered. The first one corresponded measured time dependence of the discharge. Comparison of the calculation results with the experimental data shows the considerable delay of the discharge in this calculation. Second version corresponded linear approximation of time dependence of the discharge. This calculation shows good agreement with experimental results.

Oscillator strength and quantum-confined Stark effect of excitons in a thin PbS quantum disk

NASA Astrophysics Data System (ADS)

Oukerroum, A.; El-Yadri, M.; El Aouami, A.; Feddi, E.; Dujardin, F.; Duque, C. A.; Sadoqi, M.; Long, G.

2018-01-01

In this paper, we report a study of the effect of a lateral electric field on a quantum-confined exciton in a thin PbS quantum disk. Our approach was performed in the framework of the effective mass theory and adiabatic approximation. The ground state energy and the stark shift were determined by using a variational method with an adequate trial wavefunction, by investigating a 2D oscillator strength under simultaneous consideration of the geometrical confinement and the electric field strength. Our results showed a strong dependence of the exciton binding and the Stark shift on the disk dimensions in both axial and longitudinal directions. On the other hand, our results also showed that the Stark shift’s dependence on the electric field is not purely quadratic but the linear contribution is also important and cannot be neglected, especially when the confinement gets weaker.

Sideways wall force produced during tokamak disruptions

NASA Astrophysics Data System (ADS)

Strauss, H.; Paccagnella, R.; Breslau, J.; Sugiyama, L.; Jardin, S.

2013-07-01

A critical issue for ITER is to evaluate the forces produced on the surrounding conducting structures during plasma disruptions. We calculate the non-axisymmetric ‘sideways’ wall force Fx, produced in disruptions. Simulations were carried out of disruptions produced by destabilization of n = 1 modes by a vertical displacement event (VDE). The force depends strongly on γτwall, where γ is the mode growth rate and τwall is the wall penetration time, and is largest for γτwall = constant, which depends on initial conditions. Simulations of disruptions caused by a model of massive gas injection were also performed. It was found that the wall force increases approximately offset linearly with the displacement from the magnetic axis produced by a VDE. These results are also obtained with an analytical model. Disruptions are accompanied by toroidal variation of the plasma current Iφ. This is caused by toroidal variation of the halo current, as verified computationally and analytically.

Temperature dependence of the optical absorption spectra of InP/ZnS quantum dots

NASA Astrophysics Data System (ADS)

Savchenko, S. S.; Vokhmintsev, A. S.; Weinstein, I. A.

2017-03-01

The optical-absorption spectra of InP/ZnS (core/shell) quantum dots have been studied in a broad temperature range of T = 6.5-296 K. Using the second-order derivative spectrophotometry technique, the energies of optical transitions at room temperature were found to be E 1 = 2.60 ± 0.02 eV (for the first peak of excitonic absorption in the InP core) and E 2 = 4.70 ± 0.02 eV (for processes in the ZnS shell). The experimental curve of E 1( T) has been approximated for the first time in the framework of a linear model and in terms of the Fan's formula. It is established that the temperature dependence of E 1 is determined by the interaction of excitons and longitudinal acoustic phonons with hω = 15 meV.

Spin-density fluctuations and the fluctuation-dissipation theorem in 3 d ferromagnetic metals

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

Wysocki, Alex L.; Valmispild, V. N.; Kutepov, A.

Spatial and time scales of spin-density fluctuations (SDFs) were analyzed in 3d ferromagnets using ab initio linear-response calculations of complete wave-vector and energy dependence of the dynamic spin susceptibility tensor. We demonstrate that SDFs are spread continuously over the entire Brillouin zone and while the majority of them reside within the 3d bandwidth, a significant amount comes from much higher energies. A validity of the adiabatic approximation in spin dynamics is discussed. The SDF spectrum is shown to have two main constituents: a minor low-energy spin-wave contribution and a much larger high-energy component from more localized excitations. Furthermore, using themore » fluctuation-dissipation theorem, the on-site spin correlator and the related effective fluctuating moment were properly evaluated and their universal dependence on the 3d band population is further discussed.« less

Design of a One-Dimensional Sextupole Using Semi-Analytic Methods

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

Gupta, L.; Nagaitsev, S.; Baturin, S. S.

Sextupole magnets provide position-dependent momentum kicks and are tuned to provide the correct kicks to parti- cles within a small acceptance region in phase space. Sextupoles are useful and even necessary in circular accelerators for chromaticity corrections. They are routinely used in most rings, i.e. CESR. Although sextupole magnets are necessary for particle energy corrections, they also have undesirable effects on dynamic aperture, especially because of their non- linear coupling term in the momentum kick. Studies of integrable systems suggest that there is an analytic way to create transport lattices with specific transfer matrices that limit the momentum kick tomore » one dimension. A one-dimension sex- tupole is needed for chromaticity corrections: a horizontal sextupole for horizontal bending magnets. We know how to make a “composite” horizontal sextupole using regular 2D sextupoles and linear transfer matrices in an ideal thin-lens approximation. Thus, one could create an accelerator lattice using linear elements, in series with sextupole magnets to create a “1D sextupole”. This paper describes progress to- wards realizing a realistic focusing lattice resulting in a 1D sextupole.« less

Nonlinear magnetoacoustic wave propagation with chemical reactions

NASA Astrophysics Data System (ADS)

Margulies, Timothy Scott

2002-11-01

The magnetoacoustic problem with an application to sound wave propagation through electrically conducting fluids such as the ocean in the Earth's magnetic field, liquid metals, or plasmas has been addressed taking into account several simultaneous chemical reactions. Using continuum balance equations for the total mass, linear momentum, energy; as well as Maxwell's electrodynamic equations, a nonlinear beam equation has been developed to generalize the Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation for a fluid with linear viscosity but nonlinear and diffraction effects. Thermodynamic parameters are used and not tailored to only an adiabatic fluid case. The chemical kinetic equations build on a relaxing media approach presented, for example, by K. Naugolnukh and L. Ostrovsky [Nonlinear Wave Processes in Acoustics (Cambridge Univ. Press, Cambridge, 1998)] for a linearized single reaction and thermodynamic pressure equation of state. Approximations for large and small relaxation times and for magnetohydrodynamic parameters [Korsunskii, Sov. Phys. Acoust. 36 (1990)] are examined. Additionally, Cattaneo's equation for heat conduction and its generalization for a memory process rather than a Fourier's law are taken into account. It was introduced for the heat flux depends on the temperature gradient at an earlier time to generate heat pulses of finite speed.

Linear response to long wavelength fluctuations using curvature simulations

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

Baldauf, Tobias; Zaldarriaga, Matias; Seljak, Uroš

2016-09-01

We study the local response to long wavelength fluctuations in cosmological N -body simulations, focusing on the matter and halo power spectra, halo abundance and non-linear transformations of the density field. The long wavelength mode is implemented using an effective curved cosmology and a mapping of time and distances. The method provides an alternative, more direct, way to measure the isotropic halo biases. Limiting ourselves to the linear case, we find generally good agreement between the biases obtained from the curvature method and the traditional power spectrum method at the level of a few percent. We also study the responsemore » of halo counts to changes in the variance of the field and find that the slope of the relation between the responses to density and variance differs from the naïve derivation assuming a universal mass function by approximately 8–20%. This has implications for measurements of the amplitude of local non-Gaussianity using scale dependent bias. We also analyze the halo power spectrum and halo-dark matter cross-spectrum response to long wavelength fluctuations and derive second order halo bias from it, as well as the super-sample variance contribution to the galaxy power spectrum covariance matrix.« less

Field size dependent mapping of medical linear accelerator radiation leakage

NASA Astrophysics Data System (ADS)

Vũ Bezin, Jérémi; Veres, Attila; Lefkopoulos, Dimitri; Chavaudra, Jean; Deutsch, Eric; de Vathaire, Florent; Diallo, Ibrahima

2015-03-01

The purpose of this study was to investigate the suitability of a graphics library based model for the assessment of linear accelerator radiation leakage. Transmission through the shielding elements was evaluated using the build-up factor corrected exponential attenuation law and the contribution from the electron guide was estimated using the approximation of a linear isotropic radioactive source. Model parameters were estimated by a fitting series of thermoluminescent dosimeter leakage measurements, achieved up to 100 cm from the beam central axis along three directions. The distribution of leakage data at the patient plane reflected the architecture of the shielding elements. Thus, the maximum leakage dose was found under the collimator when only one jaw shielded the primary beam and was about 0.08% of the dose at isocentre. Overall, we observe that the main contributor to leakage dose according to our model was the electron beam guide. Concerning the discrepancies between the measurements used to calibrate the model and the calculations from the model, the average difference was about 7%. Finally, graphics library modelling is a readily and suitable way to estimate leakage dose distribution on a personal computer. Such data could be useful for dosimetric evaluations in late effect studies.

Verification of intensity modulated profiles using a pixel segmented liquid-filled linear array.

PubMed

Pardo, J; Roselló, J V; Sánchez-Doblado, F; Gómez, F

2006-06-07

A liquid isooctane (C8H18) filled ionization chamber linear array developed for radiotherapy quality assurance, consisting of 128 pixels (each of them with a 1.7 mm pitch), has been used to acquire profiles of several intensity modulated fields. The results were compared with film measurements using the gamma test. The comparisons show a very good matching, even in high gradient dose regions. The volume-averaging effect of the pixels is negligible and the spatial resolution is enough to verify these regions. However, some mismatches between the detectors have been found in regions where low-energy scattered photons significantly contribute to the total dose. These differences are not very important (in fact, the measurements of both detectors are in agreement using the gamma test with tolerances of 3% and 3 mm in most of those regions), and may be associated with the film energy dependence. In addition, the linear array repeatability (0.27% one standard deviation) is much better than the film one ( approximately 3%). The good repeatability, small pixel size and high spatial resolution make the detector ideal for the real time profile verification of high gradient beam profiles like those present in intensity modulated radiation therapy and radiosurgery.

Donor impurity-related linear and nonlinear intraband optical absorption coefficients in quantum ring: effects of applied electric field and hydrostatic pressure

PubMed Central

2012-01-01

The linear and nonlinear intraband optical absorption coefficients in GaAs three-dimensional single quantum rings are investigated. Taking into account the combined effects of hydrostatic pressure and electric field, applied along the growth direction of the heterostructure, the energies of the ground and first excited states of a donor impurity have been found using the effective mass approximation and a variational method. The energies of these states are examined as functions of the dimensions of the structure, electric field, and hydrostatic pressure. We have also investigated the dependencies of the linear, nonlinear, and total optical absorption coefficients as a function of incident photon energy for several configurations of the system. It is found that the variation of distinct sizes of the structure leads to either a redshift and/or a blueshift of the resonant peaks of the intraband optical spectrum. In addition, we have found that the application of an electric field leads to a redshift, whereas the influence of hydrostatic pressure leads to a blueshift (in the case of on-ring-center donor impurity position) of the resonant peaks of the intraband optical spectrum. PMID:23021497

Remarks on Hierarchic Control for a Linearized Micropolar Fluids System in Moving Domains

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

Jesus, Isaías Pereira de, E-mail: isaias@ufpi.edu.br

We study a Stackelberg strategy subject to the evolutionary linearized micropolar fluids equations in domains with moving boundaries, considering a Nash multi-objective equilibrium (non necessarily cooperative) for the “follower players” (as is called in the economy field) and an optimal problem for the leader player with approximate controllability objective. We will obtain the following main results: the existence and uniqueness of Nash equilibrium and its characterization, the approximate controllability of the linearized micropolar system with respect to the leader control and the existence and uniqueness of the Stackelberg–Nash problem, where the optimality system for the leader is given.

Extracting Time-Accurate Acceleration Vectors From Nontrivial Accelerometer Arrangements.

PubMed

Franck, Jennifer A; Blume, Janet; Crisco, Joseph J; Franck, Christian

2015-09-01

Sports-related concussions are of significant concern in many impact sports, and their detection relies on accurate measurements of the head kinematics during impact. Among the most prevalent recording technologies are videography, and more recently, the use of single-axis accelerometers mounted in a helmet, such as the HIT system. Successful extraction of the linear and angular impact accelerations depends on an accurate analysis methodology governed by the equations of motion. Current algorithms are able to estimate the magnitude of acceleration and hit location, but make assumptions about the hit orientation and are often limited in the position and/or orientation of the accelerometers. The newly formulated algorithm presented in this manuscript accurately extracts the full linear and rotational acceleration vectors from a broad arrangement of six single-axis accelerometers directly from the governing set of kinematic equations. The new formulation linearizes the nonlinear centripetal acceleration term with a finite-difference approximation and provides a fast and accurate solution for all six components of acceleration over long time periods (>250 ms). The approximation of the nonlinear centripetal acceleration term provides an accurate computation of the rotational velocity as a function of time and allows for reconstruction of a multiple-impact signal. Furthermore, the algorithm determines the impact location and orientation and can distinguish between glancing, high rotational velocity impacts, or direct impacts through the center of mass. Results are shown for ten simulated impact locations on a headform geometry computed with three different accelerometer configurations in varying degrees of signal noise. Since the algorithm does not require simplifications of the actual impacted geometry, the impact vector, or a specific arrangement of accelerometer orientations, it can be easily applied to many impact investigations in which accurate kinematics need to be extracted from single-axis accelerometer data.

Evolution of deep gray matter volume across the human lifespan.

PubMed

Narvacan, Karl; Treit, Sarah; Camicioli, Richard; Martin, Wayne; Beaulieu, Christian

2017-08-01

Magnetic resonance imaging of subcortical gray matter structures, which mediate behavior, cognition and the pathophysiology of several diseases, is crucial for establishing typical maturation patterns across the human lifespan. This single site study examines T1-weighted MPRAGE images of 3 healthy cohorts: (i) a cross-sectional cohort of 406 subjects aged 5-83 years; (ii) a longitudinal neurodevelopment cohort of 84 subjects scanned twice approximately 4 years apart, aged 5-27 years at first scan; and (iii) a longitudinal aging cohort of 55 subjects scanned twice approximately 3 years apart, aged 46-83 years at first scan. First scans from longitudinal subjects were included in the cross-sectional analysis. Age-dependent changes in thalamus, caudate, putamen, globus pallidus, nucleus accumbens, hippocampus, and amygdala volumes were tested with Poisson, quadratic, and linear models in the cross-sectional cohort, and quadratic and linear models in the longitudinal cohorts. Most deep gray matter structures best fit to Poisson regressions in the cross-sectional cohort and quadratic curves in the young longitudinal cohort, whereas the volume of all structures except the caudate and globus pallidus decreased linearly in the longitudinal aging cohort. Males had larger volumes than females for all subcortical structures, but sex differences in trajectories of change with age were not significant. Within subject analysis showed that 65%-80% of 13-17 year olds underwent a longitudinal decrease in volume between scans (∼4 years apart) for the putamen, globus pallidus, and hippocampus, suggesting unique developmental processes during adolescence. This lifespan study of healthy participants will form a basis for comparison to neurological and psychiatric disorders. Hum Brain Mapp 38:3771-3790, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.