System and method for characterizing, synthesizing, and/or canceling out acoustic signals from inanimate sound sources

DOEpatents

Holzrichter, John F; Burnett, Greg C; Ng, Lawrence C

2013-05-21

A system and method for characterizing, synthesizing, and/or canceling out acoustic signals from inanimate sound sources is disclosed. Propagating wave electromagnetic sensors monitor excitation sources in sound producing systems, such as machines, musical instruments, and various other structures. Acoustical output from these sound producing systems is also monitored. From such information, a transfer function characterizing the sound producing system is generated. From the transfer function, acoustical output from the sound producing system may be synthesized or canceled. The methods disclosed enable accurate calculation of matched transfer functions relating specific excitations to specific acoustical outputs. Knowledge of such signals and functions can be used to effect various sound replication, sound source identification, and sound cancellation applications.

System and method for characterizing, synthesizing, and/or canceling out acoustic signals from inanimate sound sources

DOEpatents

Holzrichter, John F.; Burnett, Greg C.; Ng, Lawrence C.

2007-10-16

A system and method for characterizing, synthesizing, and/or canceling out acoustic signals from inanimate sound sources is disclosed. Propagating wave electromagnetic sensors monitor excitation sources in sound producing systems, such as machines, musical instruments, and various other structures. Acoustical output from these sound producing systems is also monitored. From such information, a transfer function characterizing the sound producing system is generated. From the transfer function, acoustical output from the sound producing system may be synthesized or canceled. The methods disclosed enable accurate calculation of matched transfer functions relating specific excitations to specific acoustical outputs. Knowledge of such signals and functions can be used to effect various sound replication, sound source identification, and sound cancellation applications.

Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation.

PubMed

Hoyer, Chad E; Ghosh, Soumen; Truhlar, Donald G; Gagliardi, Laura

2016-02-04

A correct description of electronically excited states is critical to the interpretation of visible-ultraviolet spectra, photochemical reactions, and excited-state charge-transfer processes in chemical systems. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory and a new kind of density functional called an on-top density functional. Here, we show that MC-PDFT with a first-generation on-top density functional performs as well as CASPT2 for an organic chemistry database including valence, Rydberg, and charge-transfer excitations. The results are very encouraging for practical applications.

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

Van Vleet, Mary J.; Misquitta, Alston J.; Stone, Anthony J.

Short-range repulsion within inter-molecular force fields is conventionally described by either Lennard-Jones or Born-Mayer forms. Despite their widespread use, these simple functional forms are often unable to describe the interaction energy accurately over a broad range of inter-molecular distances, thus creating challenges in the development of ab initio force fields and potentially leading to decreased accuracy and transferability. Herein, we derive a novel short-range functional form based on a simple Slater-like model of overlapping atomic densities and an iterated stockholder atom (ISA) partitioning of the molecular electron density. We demonstrate that this Slater-ISA methodology yields a more accurate, transferable, andmore » robust description of the short-range interactions at minimal additional computational cost compared to standard Lennard-Jones or Born-Mayer approaches. Lastly, we show how this methodology can be adapted to yield the standard Born-Mayer functional form while still retaining many of the advantages of the Slater-ISA approach.« less

Application of double-hybrid density functionals to charge transfer in N-substituted pentacenequinones.

PubMed

Sancho-García, J C

2012-05-07

A set of N-heteroquinones, deriving from oligoacenes, have been recently proposed as n-type organic semiconductors with high electron mobilities in thin-film transistors. Generally speaking, this class of compounds self-assembles in neighboring π-stacks linked by weak hydrogen bonds. We aim at theoretically characterizing here the sequential charge transport (hopping) process expected to take place across these arrays of molecules. To do so, we need to accurately address the preferred packing of these materials simultaneously to single-molecule properties related to charge-transfer events, carefully employing dispersion-corrected density functional theory methods to accurately extract the key molecular parameters governing this phenomenon at the nanoscale. This study confirms the great deal of interest around these compounds, since controlled functionalization of model molecules (i.e., pentacene) allows to efficiently tune the corresponding charge mobilities, and the capacity of modern quantum-chemical methods to predict it after rationalizing the underlying structure-property relationships.

Determining A Purely Symbolic Transfer Function from Symbol Streams: Theory and Algorithms

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

Griffin, Christopher H

Transfer function modeling is a \\emph{standard technique} in classical Linear Time Invariant and Statistical Process Control. The work of Box and Jenkins was seminal in developing methods for identifying parameters associated with classicalmore » $(r,s,k)$$ transfer functions. Discrete event systems are often \\emph{used} for modeling hybrid control structures and high-level decision problems. \\emph{Examples include} discrete time, discrete strategy repeated games. For these games, a \\emph{discrete transfer function in the form of} an accurate hidden Markov model of input-output relations \\emph{could be used to derive optimal response strategies.} In this paper, we develop an algorithm \\emph{for} creating probabilistic \\textit{Mealy machines} that act as transfer function models for discrete event dynamic systems (DEDS). Our models are defined by three parameters, $$(l_1, l_2, k)$ just as the Box-Jenkins transfer function models. Here $$l_1$$ is the maximal input history lengths to consider, $$l_2$$ is the maximal output history lengths to consider and $k$ is the response lag. Using related results, We show that our Mealy machine transfer functions are optimal in the sense that they maximize the mutual information between the current known state of the DEDS and the next observed input/output pair.« less

Optimal Experiment Design for Thermal Characterization of Functionally Graded Materials

NASA Technical Reports Server (NTRS)

Cole, Kevin D.

2003-01-01

The purpose of the project was to investigate methods to accurately verify that designed , materials meet thermal specifications. The project involved heat transfer calculations and optimization studies, and no laboratory experiments were performed. One part of the research involved study of materials in which conduction heat transfer predominates. Results include techniques to choose among several experimental designs, and protocols for determining the optimum experimental conditions for determination of thermal properties. Metal foam materials were also studied in which both conduction and radiation heat transfer are present. Results of this work include procedures to optimize the design of experiments to accurately measure both conductive and radiative thermal properties. Detailed results in the form of three journal papers have been appended to this report.

Comparison of high pressure transient PVT measurements and model predictions. Part I.

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

Felver, Todd G.; Paradiso, Nicholas Joseph; Evans, Gregory Herbert

2010-07-01

A series of experiments consisting of vessel-to-vessel transfers of pressurized gas using Transient PVT methodology have been conducted to provide a data set for optimizing heat transfer correlations in high pressure flow systems. In rapid expansions such as these, the heat transfer conditions are neither adiabatic nor isothermal. Compressible flow tools exist, such as NETFLOW that can accurately calculate the pressure and other dynamical mechanical properties of such a system as a function of time. However to properly evaluate the mass that has transferred as a function of time these computational tools rely on heat transfer correlations that must bemore » confirmed experimentally. In this work new data sets using helium gas are used to evaluate the accuracy of these correlations for receiver vessel sizes ranging from 0.090 L to 13 L and initial supply pressures ranging from 2 MPa to 40 MPa. The comparisons show that the correlations developed in the 1980s from sparse data sets perform well for the supply vessels but are not accurate for the receivers, particularly at early time during the transfers. This report focuses on the experiments used to obtain high quality data sets that can be used to validate computational models. Part II of this report discusses how these data were used to gain insight into the physics of gas transfer and to improve vessel heat transfer correlations. Network flow modeling and CFD modeling is also discussed.« less

Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF.

PubMed

Li, Chen; Requist, Ryan; Gross, E K U

2018-02-28

We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an abrupt change in the ground state electronic distribution due to an electron transfer at a critical bond length R = R c , where an avoided crossing of the lowest adiabatic potential energy surfaces calls the validity of the Born-Oppenheimer approximation into doubt. Modeling the R-dependent electronic structure of LiF within a two-site Hubbard model, we find that nonadiabatic electron-nuclear coupling produces a sizable elongation of the critical R c by 0.5 bohr. This effect is very accurately captured by a simple and rigorously derived correction, with an M -1 prefactor, to the exchange-correlation potential in density functional theory, M = reduced nuclear mass. Since this nonadiabatic term depends on gradients of the nuclear wave function and conditional electronic density, ∇ R χ(R) and ∇ R n(r, R), it couples the Kohn-Sham equations at neighboring R points. Motivated by an observed localization of nonadiabatic effects in nuclear configuration space, we propose a local conditional density approximation-an approximation that reduces the search for nonadiabatic density functionals to the search for a single function y(n).

Dynamic Stiffness Transfer Function of an Electromechanical Actuator Using System Identification

NASA Astrophysics Data System (ADS)

Kim, Sang Hwa; Tahk, Min-Jea

2018-04-01

In the aeroelastic analysis of flight vehicles with electromechanical actuators (EMAs), an accurate prediction of flutter requires dynamic stiffness characteristics of the EMA. The dynamic stiffness transfer function of the EMA with brushless direct current (BLDC) motor can be obtained by conducting complicated mathematical calculations of control algorithms and mechanical/electrical nonlinearities using linearization techniques. Thus, system identification approaches using experimental data, as an alternative, have considerable advantages. However, the test setup for system identification is expensive and complex, and experimental procedures for data collection are time-consuming tasks. To obtain the dynamic stiffness transfer function, this paper proposes a linear system identification method that uses information obtained from a reliable dynamic stiffness model with a control algorithm and nonlinearities. The results of this study show that the system identification procedure is compact, and the transfer function is able to describe the dynamic stiffness characteristics of the EMA. In addition, to verify the validity of the system identification method, the simulation results of the dynamic stiffness transfer function and the dynamic stiffness model were compared with the experimental data for various external loads.

Green's function solution to heat transfer of a transparent gas through a tube

NASA Technical Reports Server (NTRS)

Frankel, J. I.

1989-01-01

A heat transfer analysis of a transparent gas flowing through a circular tube of finite thickness is presented. This study includes the effects of wall conduction, internal radiative exchange, and convective heat transfer. The natural mathematical formulation produces a nonlinear, integrodifferential equation governing the wall temperature and an ordinary differential equation describing the gas temperature. This investigation proposes to convert the original system of equations into an equivalent system of integral equations. The Green's function method permits the conversion of an integrodifferential equation into a pure integral equation. The proposed integral formulation and subsequent computational procedure are shown to be stable and accurate.

Study of wave form compensation at CSNS/RCS magnets

NASA Astrophysics Data System (ADS)

Xu, S. Y.; Fu, S. N.; Wang, S.; Kang, W.; Qi, X.; Li, L.; Deng, C. D.; Zhou, J. X.

2018-07-01

A method of wave form compensation for magnets of the Rapid Cycling Synchrotron (RCS), which is based on transfer function between magnetic field and exciting current, was investigated on the magnets of RCS of Chinese Spallation Neutron Source (CSNS). By performing wave form compensation, the magnetic field ramping function for RCS magnets can be accurately controlled to the given wave form, which is not limited to sine function. The method of wave form compensation introduced in this paper can be used to reduce the magnetic field tracking errors, and can also be used to accurately control the betatron tune for RCS.

Nominal and functional task difficulty in skill acquisition: Effects on performance in two tests of transfer.

PubMed

Sanli, Elizabeth A; Lee, Timothy D

2015-06-01

The influence of nominal and functional task difficulty during the acquisition of a motor skill was examined in two tests of transfer of learning. The task involved a ballistic, target-directed, finger action. Nominal task difficulty was defined as the distance of the target from the home position. Functional task difficulty was created by manipulating the progression of target distances during practice. Based on the challenge point framework (Guadagnoli & Lee, 2004), we predicted that practice with a set of targets farther away from the performer would benefit from less functional task difficulty, while practice with a closer set of targets would benefit from more functional task difficulty. In single-task transfer tests, learners who practiced using the high nominal task difficulty targets benefitted in terms of persistence of performance over time. In dual-task transfer tests, groups with an intermediate combined (nominal and functional) task difficulty performed with greater persistence over time on tests of transfer than those who practiced with the highest or lowest combined difficulty. Together these findings suggest that the influences of nominal and functional task difficulty during acquisition are weighted differentially depending upon the transfer test context. The challenge point framework does not accurately capture this complex relationship in its current form. Copyright © 2015 Elsevier B.V. All rights reserved.

Relationship between the spectral line based weighted-sum-of-gray-gases model and the full spectrum k-distribution model

NASA Astrophysics Data System (ADS)

Chu, Huaqiang; Liu, Fengshan; Consalvi, Jean-Louis

2014-08-01

The relationship between the spectral line based weighted-sum-of-gray-gases (SLW) model and the full-spectrum k-distribution (FSK) model in isothermal and homogeneous media is investigated in this paper. The SLW transfer equation can be derived from the FSK transfer equation expressed in the k-distribution function without approximation. It confirms that the SLW model is equivalent to the FSK model in the k-distribution function form. The numerical implementation of the SLW relies on a somewhat arbitrary discretization of the absorption cross section whereas the FSK model finds the spectrally integrated intensity by integration over the smoothly varying cumulative-k distribution function using a Gaussian quadrature scheme. The latter is therefore in general more efficient as a fewer number of gray gases is required to achieve a prescribed accuracy. Sample numerical calculations were conducted to demonstrate the different efficiency of these two methods. The FSK model is found more accurate than the SLW model in radiation transfer in H2O; however, the SLW model is more accurate in media containing CO2 as the only radiating gas due to its explicit treatment of ‘clear gas.’

Atmospheric Turbulence Modeling for Aero Vehicles: Fractional Order Fits

NASA Technical Reports Server (NTRS)

Kopasakis, George

2015-01-01

Atmospheric turbulence models are necessary for the design of both inlet/engine and flight controls, as well as for studying coupling between the propulsion and the vehicle structural dynamics for supersonic vehicles. Models based on the Kolmogorov spectrum have been previously utilized to model atmospheric turbulence. In this paper, a more accurate model is developed in its representative fractional order form, typical of atmospheric disturbances. This is accomplished by first scaling the Kolmogorov spectral to convert them into finite energy von Karman forms and then by deriving an explicit fractional circuit-filter type analog for this model. This circuit model is utilized to develop a generalized formulation in frequency domain to approximate the fractional order with the products of first order transfer functions, which enables accurate time domain simulations. The objective of this work is as follows. Given the parameters describing the conditions of atmospheric disturbances, and utilizing the derived formulations, directly compute the transfer function poles and zeros describing these disturbances for acoustic velocity, temperature, pressure, and density. Time domain simulations of representative atmospheric turbulence can then be developed by utilizing these computed transfer functions together with the disturbance frequencies of interest.

Atmospheric Turbulence Modeling for Aero Vehicles: Fractional Order Fits

NASA Technical Reports Server (NTRS)

Kopasakis, George

2010-01-01

Atmospheric turbulence models are necessary for the design of both inlet/engine and flight controls, as well as for studying coupling between the propulsion and the vehicle structural dynamics for supersonic vehicles. Models based on the Kolmogorov spectrum have been previously utilized to model atmospheric turbulence. In this paper, a more accurate model is developed in its representative fractional order form, typical of atmospheric disturbances. This is accomplished by first scaling the Kolmogorov spectral to convert them into finite energy von Karman forms and then by deriving an explicit fractional circuit-filter type analog for this model. This circuit model is utilized to develop a generalized formulation in frequency domain to approximate the fractional order with the products of first order transfer functions, which enables accurate time domain simulations. The objective of this work is as follows. Given the parameters describing the conditions of atmospheric disturbances, and utilizing the derived formulations, directly compute the transfer function poles and zeros describing these disturbances for acoustic velocity, temperature, pressure, and density. Time domain simulations of representative atmospheric turbulence can then be developed by utilizing these computed transfer functions together with the disturbance frequencies of interest.

Experimental Determination of the Dynamic Hydraulic Transfer Function for the J-2X Oxidizer Turbopump. Part One; Methodology

NASA Technical Reports Server (NTRS)

Zoladz, Tom; Patel, Sandeep; Lee, Erik; Karon, Dave

2011-01-01

An advanced methodology for extracting the hydraulic dynamic pump transfer matrix (Yp) for a cavitating liquid rocket engine turbopump inducer+impeller has been developed. The transfer function is required for integrated vehicle pogo stability analysis as well as optimization of local inducer pumping stability. Laboratory pulsed subscale waterflow test of the J-2X oxygen turbo pump is introduced and our new extraction method applied to the data collected. From accurate measures of pump inlet and discharge perturbational mass flows and pressures, and one-dimensional flow models that represents complete waterflow loop physics, we are able to derive Yp and hence extract the characteristic pump parameters: compliance, pump gain, impedance, mass flow gain. Detailed modeling is necessary to accurately translate instrument plane measurements to the pump inlet and discharge and extract Yp. We present the MSFC Dynamic Lump Parameter Fluid Model Framework and describe critical dynamic component details. We report on fit minimization techniques, cost (fitness) function derivation, and resulting model fits to our experimental data are presented. Comparisons are made to alternate techniques for spatially translating measurement stations to actual pump inlet and discharge.

Optical properties reconstruction using the adjoint method based on the radiative transfer equation

NASA Astrophysics Data System (ADS)

Addoum, Ahmad; Farges, Olivier; Asllanaj, Fatmir

2018-01-01

An efficient algorithm is proposed to reconstruct the spatial distribution of optical properties in heterogeneous media like biological tissues. The light transport through such media is accurately described by the radiative transfer equation in the frequency-domain. The adjoint method is used to efficiently compute the objective function gradient with respect to optical parameters. Numerical tests show that the algorithm is accurate and robust to retrieve simultaneously the absorption μa and scattering μs coefficients for lowly and highly absorbing medium. Moreover, the simultaneous reconstruction of μs and the anisotropy factor g of the Henyey-Greenstein phase function is achieved with a reasonable accuracy. The main novelty in this work is the reconstruction of g which might open the possibility to image this parameter in tissues as an additional contrast agent in optical tomography.

Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange.

PubMed

Heßelmann, Andreas

2015-04-14

Molecular excitation energies have been calculated with time-dependent density-functional theory (TDDFT) using random-phase approximation Hessians augmented with exact exchange contributions in various orders. It has been observed that this approach yields fairly accurate local valence excitations if combined with accurate asymptotically corrected exchange-correlation potentials used in the ground-state Kohn-Sham calculations. The inclusion of long-range particle-particle with hole-hole interactions in the kernel leads to errors of 0.14 eV only for the lowest excitations of a selection of three alkene, three carbonyl, and five azabenzene molecules, thus surpassing the accuracy of a number of common TDDFT and even some wave function correlation methods. In the case of long-range charge-transfer excitations, the method typically underestimates accurate reference excitation energies by 8% on average, which is better than with standard hybrid-GGA functionals but worse compared to range-separated functional approximations.

Proton-deuteron double scattering

NASA Technical Reports Server (NTRS)

Wilson, J. W.

1974-01-01

A simple but accurate form for the proton-deuteron elastic double scattering amplitude, which includes both projectile and target recoil motion and is applicable at all momentum transfer, is derived by taking advantage of the restricted range of Fermi momentum allowed by the deuteron wave function. This amplitude can be directly compared to approximations which have neglected target recoil or are limited to small momentum transfer; the target recoil and large momentum transfer effects are evaluated explicitly within the context of a Gaussian model.

Beyond Born-Mayer: Improved models for short-range repulsion in ab initio force fields

DOE PAGES

Van Vleet, Mary J.; Misquitta, Alston J.; Stone, Anthony J.; ...

2016-06-23

Short-range repulsion within inter-molecular force fields is conventionally described by either Lennard-Jones or Born-Mayer forms. Despite their widespread use, these simple functional forms are often unable to describe the interaction energy accurately over a broad range of inter-molecular distances, thus creating challenges in the development of ab initio force fields and potentially leading to decreased accuracy and transferability. Herein, we derive a novel short-range functional form based on a simple Slater-like model of overlapping atomic densities and an iterated stockholder atom (ISA) partitioning of the molecular electron density. We demonstrate that this Slater-ISA methodology yields a more accurate, transferable, andmore » robust description of the short-range interactions at minimal additional computational cost compared to standard Lennard-Jones or Born-Mayer approaches. Lastly, we show how this methodology can be adapted to yield the standard Born-Mayer functional form while still retaining many of the advantages of the Slater-ISA approach.« less

Lunar-edge based on-orbit modulation transfer function (MTF) measurement

NASA Astrophysics Data System (ADS)

Cheng, Ying; Yi, Hongwei; Liu, Xinlong

2017-10-01

Modulation transfer function (MTF) is an important parameter for image quality evaluation of on-orbit optical image systems. Various methods have been proposed to determine the MTF of an imaging system which are based on images containing point, pulse and edge features. In this paper, the edge of the moon can be used as a high contrast target to measure on-orbit MTF of image systems based on knife-edge methods. The proposed method is an extension of the ISO 12233 Slanted-edge Spatial Frequency Response test, except that the shape of the edge is a circular arc instead of a straight line. In order to get more accurate edge locations and then obtain a more authentic edge spread function (ESF), we choose circular fitting method based on least square to fit lunar edge in sub-pixel edge detection process. At last, simulation results show that the MTF value at Nyquist frequency calculated using our lunar edge method is reliable and accurate with error less than 2% comparing with theoretical MTF value.

Subcooled forced convection boiling of trichlorotrifluoroethane

NASA Technical Reports Server (NTRS)

Dougall, R. S.; Panian, D. J.

1972-01-01

Experimental heat-transfer data were obtained for the forced-convection boiling of trichlorotrifluoroethane (R-113 or Freon-113) in a vertical annular test annular test section. The 97 data points obtained covered heat transfer by forced convection, local boiling, and fully-developed boiling. Correlating methods were obtained which accurately predicted the heat flux as a function of wall superheat (boiling curve) over the range of parameters studied.

Modeling Electronic-Nuclear Interactions for Excitation Energy Transfer Processes in Light-Harvesting Complexes.

PubMed

Lee, Mi Kyung; Coker, David F

2016-08-18

An accurate approach for computing intermolecular and intrachromophore contributions to spectral densities to describe the electronic-nuclear interactions relevant for modeling excitation energy transfer processes in light harvesting systems is presented. The approach is based on molecular dynamics (MD) calculations of classical correlation functions of long-range contributions to excitation energy fluctuations and a separate harmonic analysis and single-point gradient quantum calculations for electron-intrachromophore vibrational couplings. A simple model is also presented that enables detailed analysis of the shortcomings of standard MD-based excitation energy fluctuation correlation function approaches. The method introduced here avoids these problems, and its reliability is demonstrated in accurate predictions for bacteriochlorophyll molecules in the Fenna-Matthews-Olson pigment-protein complex, where excellent agreement with experimental spectral densities is found. This efficient approach can provide instantaneous spectral densities for treating the influence of fluctuations in environmental dissipation on fast electronic relaxation.

A study of the thermal and optical characteristics of radiometric channels for Earth radiation budget applications

NASA Technical Reports Server (NTRS)

Mahan, J. R.; Tira, Nour E.

1991-01-01

An improved dynamic electrothermal model for the Earth Radiation Budget Experiment (ERBE) total, nonscanning channels is formulated. This model is then used to accurately simulate two types of dynamic solar observation: the solar calibration and the so-called pitchover maneuver. Using a second model, the nonscanner active cavity radiometer (ACR) thermal noise is studied. This study reveals that radiative emission and scattering by the surrounding parts of the nonscanner cavity are acceptably small. The dynamic electrothermal model is also used to compute ACR instrument transfer function. Accurate in-flight measurement of this transfer function is shown to depend on the energy distribution over the frequency spectrum of the radiation input function. A new array-type field of view limiter, whose geometry controls the input function, is proposed for in-flight calibration of an ACR and other types of radiometers. The point spread function (PSF) of the ERBE and the Clouds and Earth's Radiant Energy System (CERES) scanning radiometers is computed. The PSF is useful in characterizing the channel optics. It also has potential for recovering the distribution of the radiative flux from Earth by deconvolution.

Curved Displacement Transfer Functions for Geometric Nonlinear Large Deformation Structure Shape Predictions

NASA Technical Reports Server (NTRS)

Ko, William L.; Fleischer, Van Tran; Lung, Shun-Fat

2017-01-01

For shape predictions of structures under large geometrically nonlinear deformations, Curved Displacement Transfer Functions were formulated based on a curved displacement, traced by a material point from the undeformed position to deformed position. The embedded beam (depth-wise cross section of a structure along a surface strain-sensing line) was discretized into multiple small domains, with domain junctures matching the strain-sensing stations. Thus, the surface strain distribution could be described with a piecewise linear or a piecewise nonlinear function. The discretization approach enabled piecewise integrations of the embedded-beam curvature equations to yield the Curved Displacement Transfer Functions, expressed in terms of embedded beam geometrical parameters and surface strains. By entering the surface strain data into the Displacement Transfer Functions, deflections along each embedded beam can be calculated at multiple points for mapping the overall structural deformed shapes. Finite-element linear and nonlinear analyses of a tapered cantilever tubular beam were performed to generate linear and nonlinear surface strains and the associated deflections to be used for validation. The shape prediction accuracies were then determined by comparing the theoretical deflections with the finiteelement- generated deflections. The results show that the newly developed Curved Displacement Transfer Functions are very accurate for shape predictions of structures under large geometrically nonlinear deformations.

Group refractive index quantification using a Fourier domain short coherence Sagnac interferometer.

PubMed

Montonen, Risto; Kassamakov, Ivan; Lehmann, Peter; Österberg, Kenneth; Hæggström, Edward

2018-02-15

The group refractive index is important in length calibration of Fourier domain interferometers by transparent transfer standards. We demonstrate accurate group refractive index quantification using a Fourier domain short coherence Sagnac interferometer. Because of a justified linear length calibration function, the calibration constants cancel out in the evaluation of the group refractive index, which is then obtained accurately from two uncalibrated lengths. Measurements of two standard thickness coverslips revealed group indices of 1.5426±0.0042 and 1.5434±0.0046, with accuracies quoted at the 95% confidence level. This agreed with the dispersion data of the coverslip manufacturer and therefore validates our method. Our method provides a sample specific and accurate group refractive index quantification using the same Fourier domain interferometer that is to be calibrated for the length. This reduces significantly the requirements of the calibration transfer standard.

Radiative transfer in falling snow: A two-stream approximation

NASA Astrophysics Data System (ADS)

Koh, Gary

1989-04-01

Light transmission measurements through falling snow have produced results unexplainable by single scattering arguments. A two-stream approximation to radiative transfer is used to derive an analytical expression that describes the effects of multiple scattering as a function of the snow optical depth and the snow asymmetry parameter. The approximate solution is simple and it may be as accurate as the exact solution for describing the transmission measurements within the limits of experimental uncertainties.

Comparison of the electromagnetic responses of C 12 obtained from the Green's function Monte Carlo and spectral function approaches

DOE PAGES

Rocco, Noemi; Lovato, Alessandro; Benhar, Omar

2016-12-23

Here, the electromagnetic responses of carbon obtained from the Green's function Monte Carlo and spectral function approaches using the same dynamical input are compared in the kinematical region corresponding to momentum transfer in the range 300–570 MeV. The results of our analysis, aimed at pinning down the limits of applicability of the approximations involved in the two schemes, indicate that the factorization ansatz underlying the spectral function formalism provides remarkably accurate results down to momentum transfer as low as 300 MeV. On the other hand, it appears that at 570 MeV relativistic corrections to the electromagnetic current not included inmore » the Monte Carlo calculations may play a significant role in the transverse channel.« less

Comparison of the electromagnetic responses of C 12 obtained from the Green's function Monte Carlo and spectral function approaches

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

Rocco, Noemi; Lovato, Alessandro; Benhar, Omar

Here, the electromagnetic responses of carbon obtained from the Green's function Monte Carlo and spectral function approaches using the same dynamical input are compared in the kinematical region corresponding to momentum transfer in the range 300–570 MeV. The results of our analysis, aimed at pinning down the limits of applicability of the approximations involved in the two schemes, indicate that the factorization ansatz underlying the spectral function formalism provides remarkably accurate results down to momentum transfer as low as 300 MeV. On the other hand, it appears that at 570 MeV relativistic corrections to the electromagnetic current not included inmore » the Monte Carlo calculations may play a significant role in the transverse channel.« less

Calibrating GPS With TWSTFT For Accurate Time Transfer

DTIC Science & Technology

2008-12-01

40th Annual Precise Time and Time Interval (PTTI) Meeting 577 CALIBRATING GPS WITH TWSTFT FOR ACCURATE TIME TRANSFER Z. Jiang1 and...primary time transfer techniques are GPS and TWSTFT (Two-Way Satellite Time and Frequency Transfer, TW for short). 83% of UTC time links are...Calibrating GPS With TWSTFT For Accurate Time Transfer 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT

A fast method to compute Three-Dimensional Infrared Radiative Transfer in non scattering medium

NASA Astrophysics Data System (ADS)

Makke, Laurent; Musson-Genon, Luc; Carissimo, Bertrand

2014-05-01

The Atmospheric Radiation field has seen the development of more accurate and faster methods to take into account absoprtion in participating media. Radiative fog appears with clear sky condition due to a significant cooling during the night, so scattering is left out. Fog formation modelling requires accurate enough method to compute cooling rates. Thanks to High Performance Computing, multi-spectral approach of Radiative Transfer Equation resolution is most often used. Nevertheless, the coupling of three-dimensionnal radiative transfer with fluid dynamics is very detrimental to the computational cost. To reduce the time spent in radiation calculations, the following method uses analytical absorption functions fitted by Sasamori (1968) on Yamamoto's charts (Yamamoto,1956) to compute a local linear absorption coefficient. By averaging radiative properties, this method eliminates the spectral integration. For an isothermal atmosphere, analytical calculations lead to an explicit formula between emissivities functions and linear absorption coefficient. In the case of cooling to space approximation, this analytical expression gives very accurate results compared to correlated k-distribution. For non homogeneous paths, we propose a two steps algorithm. One-dimensional radiative quantities and linear absorption coefficient are computed by a two-flux method. Then, three-dimensional RTE under the grey medium assumption is solved with the DOM. Comparisons with measurements of radiative quantities during ParisFOG field (2006) shows the cability of this method to handle strong vertical variations of pressure/temperature and gases concentrations.

H2-norm for mesh optimization with application to electro-thermal modeling of an electric wire in automotive context

NASA Astrophysics Data System (ADS)

Chevrié, Mathieu; Farges, Christophe; Sabatier, Jocelyn; Guillemard, Franck; Pradere, Laetitia

2017-04-01

In automotive application field, reducing electric conductors dimensions is significant to decrease the embedded mass and the manufacturing costs. It is thus essential to develop tools to optimize the wire diameter according to thermal constraints and protection algorithms to maintain a high level of safety. In order to develop such tools and algorithms, accurate electro-thermal models of electric wires are required. However, thermal equation solutions lead to implicit fractional transfer functions involving an exponential that cannot be embedded in a car calculator. This paper thus proposes an integer order transfer function approximation methodology based on a spatial discretization for this class of fractional transfer functions. Moreover, the H2-norm is used to minimize approximation error. Accuracy of the proposed approach is confirmed with measured data on a 1.5 mm2 wire implemented in a dedicated test bench.

Application of Least Mean Square Algorithms to Spacecraft Vibration Compensation

NASA Technical Reports Server (NTRS)

Woodard , Stanley E.; Nagchaudhuri, Abhijit

1998-01-01

This paper describes the application of the Least Mean Square (LMS) algorithm in tandem with the Filtered-X Least Mean Square algorithm for controlling a science instrument's line-of-sight pointing. Pointing error is caused by a periodic disturbance and spacecraft vibration. A least mean square algorithm is used on-orbit to produce the transfer function between the instrument's servo-mechanism and error sensor. The result is a set of adaptive transversal filter weights tuned to the transfer function. The Filtered-X LMS algorithm, which is an extension of the LMS, tunes a set of transversal filter weights to the transfer function between the disturbance source and the servo-mechanism's actuation signal. The servo-mechanism's resulting actuation counters the disturbance response and thus maintains accurate science instrumental pointing. A simulation model of the Upper Atmosphere Research Satellite is used to demonstrate the algorithms.

An accurate registration technique for distorted images

NASA Technical Reports Server (NTRS)

Delapena, Michele; Shaw, Richard A.; Linde, Peter; Dravins, Dainis

1990-01-01

Accurate registration of International Ultraviolet Explorer (IUE) images is crucial because the variability of the geometrical distortions that are introduced by the SEC-Vidicon cameras ensures that raw science images are never perfectly aligned with the Intensity Transfer Functions (ITFs) (i.e., graded floodlamp exposures that are used to linearize and normalize the camera response). A technique for precisely registering IUE images which uses a cross correlation of the fixed pattern that exists in all raw IUE images is described.

Heat transfer and flow friction correlations for perforated plate matrix heat exchangers

NASA Astrophysics Data System (ADS)

Ratna Raju, L.; Kumar, S. Sunil; Chowdhury, K.; Nandi, T. K.

2017-02-01

Perforated plate matrix heat exchangers (MHE) are constructed of high conductivity perforated plates stacked alternately with low conductivity spacers. They are being increasingly used in many cryogenic applications including Claude cycle or Reversed Brayton cycle cryo-refrigerators and liquefiers. Design of high NTU (number of (heat) transfer unit) cryogenic MHEs requires accurate heat transfer coefficient and flow friction factor. Thermo-hydraulic behaviour of perforated plates strongly depends on the geometrical parameters. Existing correlations, however, are mostly expressed as functions of Reynolds number only. This causes, for a given configuration, significant variations in coefficients from one correlation to the other. In this paper we present heat transfer and flow friction correlations as functions of all geometrical and other controlling variables. A FluentTM based numerical model has been developed for heat transfer and pressure drop studies over a stack of alternately arranged perforated plates and spacers. The model is validated with the data from literature. Generalized correlations are obtained through regression analysis over a large number of computed data.

Practical Applications of Data Processing to School Purchasing.

ERIC Educational Resources Information Center

California Association of School Business Officials, San Diego. Imperial Section.

Electronic data processing provides a fast and accurate system for handling large volumes of routine data. If properly employed, computers can perform myriad functions for purchasing operations, including purchase order writing; equipment inventory control; vendor inventory; and equipment acquisition, transfer, and retirement. The advantages of…

Closed-loop spontaneous baroreflex transfer function is inappropriate for system identification of neural arc but partly accurate for peripheral arc: predictability analysis

PubMed Central

Kamiya, Atsunori; Kawada, Toru; Shimizu, Shuji; Sugimachi, Masaru

2011-01-01

Abstract Although the dynamic characteristics of the baroreflex system have been described by baroreflex transfer functions obtained from open-loop analysis, the predictability of time-series output dynamics from input signals, which should confirm the accuracy of system identification, remains to be elucidated. Moreover, despite theoretical concerns over closed-loop system identification, the accuracy and the predictability of the closed-loop spontaneous baroreflex transfer function have not been evaluated compared with the open-loop transfer function. Using urethane and α-chloralose anaesthetized, vagotomized and aortic-denervated rabbits (n = 10), we identified open-loop baroreflex transfer functions by recording renal sympathetic nerve activity (SNA) while varying the vascularly isolated intracarotid sinus pressure (CSP) according to a binary random (white-noise) sequence (operating pressure ± 20 mmHg), and using a simplified equation to calculate closed-loop-spontaneous baroreflex transfer function while matching CSP with systemic arterial pressure (AP). Our results showed that the open-loop baroreflex transfer functions for the neural and peripheral arcs predicted the time-series SNA and AP outputs from measured CSP and SNA inputs, with r2 of 0.8 ± 0.1 and 0.8 ± 0.1, respectively. In contrast, the closed-loop-spontaneous baroreflex transfer function for the neural arc was markedly different from the open-loop transfer function (enhanced gain increase and a phase lead), and did not predict the time-series SNA dynamics (r2; 0.1 ± 0.1). However, the closed-loop-spontaneous baroreflex transfer function of the peripheral arc partially matched the open-loop transfer function in gain and phase functions, and had limited but reasonable predictability of the time-series AP dynamics (r2, 0.7 ± 0.1). A numerical simulation suggested that a noise predominantly in the neural arc under resting conditions might be a possible mechanism responsible for our findings. Furthermore, the predictabilities of the neural arc transfer functions obtained in open-loop and closed-loop conditions were validated by closed-loop pharmacological (phenylephrine and nitroprusside infusions) pressure interventions. Time-series SNA responses to drug-induced AP changes predicted by the open-loop transfer function matched closely the measured responses (r2, 0.9 ± 0.1), whereas SNA responses predicted by closed-loop-spontaneous transfer function deviated greatly and were the inverse of measured responses (r, −0.8 ± 0.2). These results indicate that although the spontaneous baroreflex transfer function obtained by closed-loop analysis has been believed to represent the neural arc function, it is inappropriate for system identification of the neural arc but is essentially appropriate for the peripheral arc under resting conditions, when compared with open-loop analysis. PMID:21486839

Spectrally-Invariant Approximation Within Atmospheric Radiative Transfer

NASA Technical Reports Server (NTRS)

Marshak, A.; Knyazikhin, Y.; Chiu, J. C.; Wiscombe, W. J.

2011-01-01

Certain algebraic combinations of single scattering albedo and solar radiation reflected from, or transmitted through, vegetation canopies do not vary with wavelength. These "spectrally invariant relationships" are the consequence of wavelength independence of the extinction coefficient and scattering phase function in vegetation. In general, this wavelength independence does not hold in the atmosphere, but in clouddominated atmospheres the total extinction and total scattering phase function vary only weakly with wavelength. This paper identifies the atmospheric conditions under which the spectrally invariant approximation can accurately describe the extinction. and scattering properties of cloudy atmospheres. The validity of the assumptions and the accuracy of the approximation are tested with ID radiative transfer calculations using publicly available radiative transfer models: Discrete Ordinate Radiative Transfer (DISORT) and Santa Barbara DISORT Atmospheric Radiative Transfer (SBDART). It is shown for cloudy atmospheres with cloud optical depth above 3, and for spectral intervals that exclude strong water vapor absorption, that the spectrally invariant relationships found in vegetation canopy radiative transfer are valid to better than 5%. The physics behind this phenomenon, its mathematical basis, and possible applications to remote sensing and climate are discussed.

A second generation distributed point polarizable water model.

PubMed

Kumar, Revati; Wang, Fang-Fang; Jenness, Glen R; Jordan, Kenneth D

2010-01-07

A distributed point polarizable model (DPP2) for water, with explicit terms for charge penetration, induction, and charge transfer, is introduced. The DPP2 model accurately describes the interaction energies in small and large water clusters and also gives an average internal energy per molecule and radial distribution functions of liquid water in good agreement with experiment. A key to the success of the model is its accurate description of the individual terms in the n-body expansion of the interaction energies.

Basilar-membrane responses to broadband noise modeled using linear filters with rational transfer functions.

PubMed

Recio-Spinoso, Alberto; Fan, Yun-Hui; Ruggero, Mario A

2011-05-01

Basilar-membrane responses to white Gaussian noise were recorded using laser velocimetry at basal sites of the chinchilla cochlea with characteristic frequencies near 10 kHz and first-order Wiener kernels were computed by cross correlation of the stimuli and the responses. The presence or absence of minimum-phase behavior was explored by fitting the kernels with discrete linear filters with rational transfer functions. Excellent fits to the kernels were obtained with filters with transfer functions including zeroes located outside the unit circle, implying nonminimum-phase behavior. These filters accurately predicted basilar-membrane responses to other noise stimuli presented at the same level as the stimulus for the kernel computation. Fits with all-pole and other minimum-phase discrete filters were inferior to fits with nonminimum-phase filters. Minimum-phase functions predicted from the amplitude functions of the Wiener kernels by Hilbert transforms were different from the measured phase curves. These results, which suggest that basilar-membrane responses do not have the minimum-phase property, challenge the validity of models of cochlear processing, which incorporate minimum-phase behavior. © 2011 IEEE

Regional climate change predictions from the Goddard Institute for Space Studies high resolution GCM

NASA Technical Reports Server (NTRS)

Crane, Robert G.; Hewitson, B. C.

1991-01-01

A new diagnostic tool is developed for examining relationships between the synoptic scale circulation and regional temperature distributions in GCMs. The 4 x 5 deg GISS GCM is shown to produce accurate simulations of the variance in the synoptic scale sea level pressure distribution over the U.S. An analysis of the observational data set from the National Meteorological Center (NMC) also shows a strong relationship between the synoptic circulation and grid point temperatures. This relationship is demonstrated by deriving transfer functions between a time-series of circulation parameters and temperatures at individual grid points. The circulation parameters are derived using rotated principal components analysis, and the temperature transfer functions are based on multivariate polynomial regression models. The application of these transfer functions to the GCM circulation indicates that there is considerable spatial bias present in the GCM temperature distributions. The transfer functions are also used to indicate the possible changes in U.S. regional temperatures that could result from differences in synoptic scale circulation between a 1XCO2 and a 2xCO2 climate, using a doubled CO2 version of the same GISS GCM.

Communication: Correct charge transfer in CT complexes from the Becke'05 density functional

NASA Astrophysics Data System (ADS)

Becke, Axel D.; Dale, Stephen G.; Johnson, Erin R.

2018-06-01

It has been known for over twenty years that density functionals of the generalized-gradient approximation (GGA) type and exact-exchange-GGA hybrids with low exact-exchange mixing fraction yield enormous errors in the properties of charge-transfer (CT) complexes. Manifestations of this error have also plagued computations of CT excitation energies. GGAs transfer far too much charge in CT complexes. This error has therefore come to be called "delocalization" error. It remains, to this day, a vexing unsolved problem in density-functional theory (DFT). Here we report that a 100% exact-exchange-based density functional known as Becke'05 or "B05" [A. D. Becke, J. Chem. Phys. 119, 2972 (2003); 122, 064101 (2005)] predicts excellent charge transfers in classic CT complexes involving the electron donors NH3, C2H4, HCN, and C2H2 and electron acceptors F2 and Cl2. Our approach is variational, as in our recent "B05min" dipole moments paper [Dale et al., J. Chem. Phys. 147, 154103 (2017)]. Therefore B05 is not only an accurate DFT for thermochemistry but is promising as a solution to the delocalization problem as well.

Food Antioxidants: Chemical Insights at the Molecular Level.

PubMed

Galano, Annia; Mazzone, Gloria; Alvarez-Diduk, Ruslán; Marino, Tiziana; Alvarez-Idaboy, J Raúl; Russo, Nino

2016-01-01

In this review, we briefly summarize the reliability of the density functional theory (DFT)-based methods to accurately predict the main antioxidant properties and the reaction mechanisms involved in the free radical-scavenging reactions of chemical compounds present in food. The analyzed properties are the bond dissociation energies, in particular those involving OH bonds, electron transfer enthalpies, adiabatic ionization potentials, and proton affinities. The reaction mechanisms are hydrogen-atom transfer, proton-coupled electron transfer, radical adduct formation, single electron transfer, sequential electron proton transfer, proton-loss electron transfer, and proton-loss hydrogen-atom transfer. Furthermore, the chelating ability of these compounds and its role in decreasing or inhibiting the oxidative stress induced by Fe(III) and Cu(II) are considered. Comparisons between theoretical and experimental data confirm that modern theoretical tools are not only able to explain controversial experimental facts but also to predict chemical behavior.

An Integrated Enrollment Forecast Model. IR Applications, Volume 15, January 18, 2008

ERIC Educational Resources Information Center

Chen, Chau-Kuang

2008-01-01

Enrollment forecasting is the central component of effective budget and program planning. The integrated enrollment forecast model is developed to achieve a better understanding of the variables affecting student enrollment and, ultimately, to perform accurate forecasts. The transfer function model of the autoregressive integrated moving average…

High-order solution methods for grey discrete ordinates thermal radiative transfer

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

Maginot, Peter G., E-mail: maginot1@llnl.gov; Ragusa, Jean C., E-mail: jean.ragusa@tamu.edu; Morel, Jim E., E-mail: morel@tamu.edu

This work presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation ismore » accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.« less

High-order solution methods for grey discrete ordinates thermal radiative transfer

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

Maginot, Peter G.; Ragusa, Jean C.; Morel, Jim E.

This paper presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation ismore » accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.« less

High-order solution methods for grey discrete ordinates thermal radiative transfer

DOE PAGES

Maginot, Peter G.; Ragusa, Jean C.; Morel, Jim E.

2016-09-29

This paper presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation ismore » accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.« less

Numerical investigations in three-dimensional internal flows

NASA Astrophysics Data System (ADS)

Rose, William C.

1988-08-01

An investigation into the use of computational fluid dynamics (CFD) was performed to examine the expected heat transfer rates that will occur within the NASA-Ames 100 megawatt arc heater nozzle. This nozzle was tentatively designed and identified to provide research for a directly connected combustion experiment specifically related to the National Aerospace Plane Program (NASP) aircraft, and is expected to simulate the flow field entering the combustor section. It was found that extremely fine grids, that is very small mesh spacing near the wall, are required to accurately model the heat transfer process and, in fact, must contain a point within the laminar sublayer if results are to be taken directly from a numerical simulation code. In the present study, an alternative to this very fine mesh and its attendant increase in computational time was invoked and is based on a wall-function method. It was shown that solutions could be obtained that give accurate indications of surface heat transfer rate throughout the nozzle in approximately 1/100 of the computer time required to do the simulation directly without the use of the wall-function implementation. Finally, a maximum heating value in the throat region of the proposed slit nozzle for the 100 megawatt arc heater was shown to be approximately 6 MW per square meter.

Hindered rotor models with variable kinetic functions for accurate thermodynamic and kinetic predictions

NASA Astrophysics Data System (ADS)

Reinisch, Guillaume; Leyssale, Jean-Marc; Vignoles, Gérard L.

2010-10-01

We present an extension of some popular hindered rotor (HR) models, namely, the one-dimensional HR (1DHR) and the degenerated two-dimensional HR (d2DHR) models, allowing for a simple and accurate treatment of internal rotations. This extension, based on the use of a variable kinetic function in the Hamiltonian instead of a constant reduced moment of inertia, is extremely suitable in the case of rocking/wagging motions involved in dissociation or atom transfer reactions. The variable kinetic function is first introduced in the framework of a classical 1DHR model. Then, an effective temperature and potential dependent constant is proposed in the cases of quantum 1DHR and classical d2DHR models. These methods are finally applied to the atom transfer reaction SiCl3+BCl3→SiCl4+BCl2. We show, for this particular case, that a proper accounting of internal rotations greatly improves the accuracy of thermodynamic and kinetic predictions. Moreover, our results confirm (i) that using a suitably defined kinetic function appears to be very adapted to such problems; (ii) that the separability assumption of independent rotations seems justified; and (iii) that a quantum mechanical treatment is not a substantial improvement with respect to a classical one.

Perceptual learning modifies the functional specializations of visual cortical areas.

PubMed

Chen, Nihong; Cai, Peng; Zhou, Tiangang; Thompson, Benjamin; Fang, Fang

2016-05-17

Training can improve performance of perceptual tasks. This phenomenon, known as perceptual learning, is strongest for the trained task and stimulus, leading to a widely accepted assumption that the associated neuronal plasticity is restricted to brain circuits that mediate performance of the trained task. Nevertheless, learning does transfer to other tasks and stimuli, implying the presence of more widespread plasticity. Here, we trained human subjects to discriminate the direction of coherent motion stimuli. The behavioral learning effect substantially transferred to noisy motion stimuli. We used transcranial magnetic stimulation (TMS) and functional magnetic resonance imaging (fMRI) to investigate the neural mechanisms underlying the transfer of learning. The TMS experiment revealed dissociable, causal contributions of V3A (one of the visual areas in the extrastriate visual cortex) and MT+ (middle temporal/medial superior temporal cortex) to coherent and noisy motion processing. Surprisingly, the contribution of MT+ to noisy motion processing was replaced by V3A after perceptual training. The fMRI experiment complemented and corroborated the TMS finding. Multivariate pattern analysis showed that, before training, among visual cortical areas, coherent and noisy motion was decoded most accurately in V3A and MT+, respectively. After training, both kinds of motion were decoded most accurately in V3A. Our findings demonstrate that the effects of perceptual learning extend far beyond the retuning of specific neural populations for the trained stimuli. Learning could dramatically modify the inherent functional specializations of visual cortical areas and dynamically reweight their contributions to perceptual decisions based on their representational qualities. These neural changes might serve as the neural substrate for the transfer of perceptual learning.

Enhanced von Weizsäcker Wang-Govind-Carter kinetic energy density functional for semiconductors

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

Shin, Ilgyou; Carter, Emily A., E-mail: eac@princeton.edu

2014-05-14

We propose a new form of orbital-free (OF) kinetic energy density functional (KEDF) for semiconductors that is based on the Wang-Govind-Carter (WGC99) nonlocal KEDF. We enhance within the latter the semi-local von Weizsäcker KEDF term, which is exact for a single orbital. The enhancement factor we introduce is related to the extent to which the electron density is localized. The accuracy of the new KEDF is benchmarked against Kohn-Sham density functional theory (KSDFT) by comparing predicted energy differences between phases, equilibrium volumes, and bulk moduli for various semiconductors, along with metal-insulator phase transition pressures. We also compare point defect andmore » (100) surface energies in silicon for a broad test of its applicability. This new KEDF accurately reproduces the exact non-interacting kinetic energy of KSDFT with only one additional adjustable parameter beyond the three parameters in the WGC99 KEDF; it exhibits good transferability between semiconducting to metallic silicon phases and between various III-V semiconductors without parameter adjustment. Overall, this KEDF is more accurate than previously proposed OF KEDFs (e.g., the Huang-Carter (HC) KEDF) for semiconductors, while the computational efficiency remains at the level of the WGC99 KEDF (several hundred times faster than the HC KEDF). This accurate, fast, and transferable new KEDF holds considerable promise for large-scale OFDFT simulations of metallic through semiconducting materials.« less

Using Neural Networks to Improve the Performance of Radiative Transfer Modeling Used for Geometry Dependent Surface Lambertian-Equivalent Reflectivity Calculations

NASA Technical Reports Server (NTRS)

Fasnacht, Zachary; Qin, Wenhan; Haffner, David P.; Loyola, Diego; Joiner, Joanna; Krotkov, Nickolay; Vasilkov, Alexander; Spurr, Robert

2017-01-01

Surface Lambertian-equivalent reflectivity (LER) is important for trace gas retrievals in the direct calculation of cloud fractions and indirect calculation of the air mass factor. Current trace gas retrievals use climatological surface LER's. Surface properties that impact the bidirectional reflectance distribution function (BRDF) as well as varying satellite viewing geometry can be important for retrieval of trace gases. Geometry Dependent LER (GLER) captures these effects with its calculation of sun normalized radiances (I/F) and can be used in current LER algorithms (Vasilkov et al. 2016). Pixel by pixel radiative transfer calculations are computationally expensive for large datasets. Modern satellite missions such as the Tropospheric Monitoring Instrument (TROPOMI) produce very large datasets as they take measurements at much higher spatial and spectral resolutions. Look up table (LUT) interpolation improves the speed of radiative transfer calculations but complexity increases for non-linear functions. Neural networks perform fast calculations and can accurately predict both non-linear and linear functions with little effort.

Least-squares collocation meshless approach for radiative heat transfer in absorbing and scattering media

NASA Astrophysics Data System (ADS)

Liu, L. H.; Tan, J. Y.

2007-02-01

A least-squares collocation meshless method is employed for solving the radiative heat transfer in absorbing, emitting and scattering media. The least-squares collocation meshless method for radiative transfer is based on the discrete ordinates equation. A moving least-squares approximation is applied to construct the trial functions. Except for the collocation points which are used to construct the trial functions, a number of auxiliary points are also adopted to form the total residuals of the problem. The least-squares technique is used to obtain the solution of the problem by minimizing the summation of residuals of all collocation and auxiliary points. Three numerical examples are studied to illustrate the performance of this new solution method. The numerical results are compared with the other benchmark approximate solutions. By comparison, the results show that the least-squares collocation meshless method is efficient, accurate and stable, and can be used for solving the radiative heat transfer in absorbing, emitting and scattering media.

Preserving transfer independence among individuals with spinal cord injury.

PubMed

Nyland, J; Quigley, P; Huang, C; Lloyd, J; Harrow, J; Nelson, A

2000-11-01

Literature review. Upper extremity (UE) joint degeneration, particularly at the shoulder, detrimentally influences functional independence, quality of life, cardiovascular disease risk, and life expectancy of individuals following spinal cord injury (SCI). This review (1) describes UE use for transfers among individuals with SCI; (2) describes contributing factors associated with UE joint degeneration and loss of transfer independence; (3) summarizes and identifies gaps in existing research; and (4) provides suggestions for future research. Investigations of wheelchair transfer related UE joint and function preservation among individuals with SCI should consider factors including age and length of time from SCI onset, interface between subject-wheelchair, pain, shoulder joint range of motion (ROM) and muscle strength deficiencies or imbalances, exercise capacity and tolerance for the physical strain of activities of daily living (ADL), body mass and composition, previous UE injury or disease history, and transfer techniques. Existing studies of transfers among individuals with SCI have relied on small groups of either asymptomatic or non-impaired subjects, with minimal integration of kinematic, kinetic and electromyographic data. Descriptions of UE joint ROM, forces, and moments produced during transfers are lacking. Biomechanical measurement and computer modeling have provided increasingly accurate tools for acquiring the data needed to guide intervention planning to prevent UE joint degeneration and preserve function among individuals with SCI. The identification of stressful sub-components during transfers will enable intervening clinicians and engineers who design and modify assistive and adaptive devices to better serve individuals with SCI.

17 CFR 240.17Ad-10 - Prompt posting of certificate detail to master securityholder files, maintenance of accurate...

Code of Federal Regulations, 2012 CFR

2012-04-01

... between co-transfer agents and recordkeeping transfer agents, maintenance of current control book... securityholder files, maintenance of accurate securityholder files, communications between co-transfer agents and recordkeeping transfer agents, maintenance of current control book, retention of certificate detail and “buy-in...

17 CFR 240.17Ad-10 - Prompt posting of certificate detail to master securityholder files, maintenance of accurate...

Code of Federal Regulations, 2013 CFR

2013-04-01

... between co-transfer agents and recordkeeping transfer agents, maintenance of current control book... securityholder files, maintenance of accurate securityholder files, communications between co-transfer agents and recordkeeping transfer agents, maintenance of current control book, retention of certificate detail and “buy-in...

17 CFR 240.17Ad-10 - Prompt posting of certificate detail to master securityholder files, maintenance of accurate...

Code of Federal Regulations, 2011 CFR

2011-04-01

... between co-transfer agents and recordkeeping transfer agents, maintenance of current control book... securityholder files, maintenance of accurate securityholder files, communications between co-transfer agents and recordkeeping transfer agents, maintenance of current control book, retention of certificate detail and “buy-in...

Intramolecular Charge Transfer States in the Condensed Phase

NASA Astrophysics Data System (ADS)

Williams, C. F.; Herbert, J. M.

2009-06-01

Time-Dependent Density Functional Theory (TDDFT) with long range corrected functionals can give accurate results for the energies of electronically excited states involving Intramolecular Charge Transfer (ICT) in large molecules. If this is combined with a Molecular Mechanics (MM) representation of the surrounding solvent this technique can be used to interpret the results of condensed phase UV-Vis Spectroscopy. Often the MM region is represented by a set of point charges, however this means that the solvent cannot repolarize to adapt to the new charge distribution as a result of ICT and so the excitation energies to ICT states are overestimated. To solve this problem an algorithm that interfaces TDDFT with the polarizable force-field AMOEBA is presented; the effect of solvation on charge transfer in species such as 4,4'dimethylaminobenzonitrile (DMABN) is discussed. M.A. Rohrdanz, K.M. Martins, and J.M. Herbert, J. Chem. Phys. 130 034107 (2008).

Beyond multi-fractals: surrogate time series and fields

NASA Astrophysics Data System (ADS)

Venema, V.; Simmer, C.

2007-12-01

Most natural complex are characterised by variability on a large range of temporal and spatial scales. The two main methodologies to generate such structures are Fourier/FARIMA based algorithms and multifractal methods. The former is restricted to Gaussian data, whereas the latter requires the structure to be self-similar. This work will present so-called surrogate data as an alternative that works with any (empirical) distribution and power spectrum. The best-known surrogate algorithm is the iterative amplitude adjusted Fourier transform (IAAFT) algorithm. We have studied six different geophysical time series (two clouds, runoff of a small and a large river, temperature and rain) and their surrogates. The power spectra and consequently the 2nd order structure functions were replicated accurately. Even the fourth order structure function was more accurately reproduced by the surrogates as would be possible by a fractal method, because the measured structure deviated too strong from fractal scaling. Only in case of the daily rain sums a fractal method could have been more accurate. Just as Fourier and multifractal methods, the current surrogates are not able to model the asymmetric increment distributions observed for runoff, i.e., they cannot reproduce nonlinear dynamical processes that are asymmetric in time. Furthermore, we have found differences for the structure functions on small scales. Surrogate methods are especially valuable for empirical studies, because the time series and fields that are generated are able to mimic measured variables accurately. Our main application is radiative transfer through structured clouds. Like many geophysical fields, clouds can only be sampled sparsely, e.g. with in-situ airborne instruments. However, for radiative transfer calculations we need full 3-dimensional cloud fields. A first study relating the measured properties of the cloud droplets and the radiative properties of the cloud field by generating surrogate cloud fields yielded good results within the measurement error. A further test of the suitability of the surrogate clouds for radiative transfer is evaluated by comparing the radiative properties of model cloud fields of sparse cumulus and stratocumulus with their surrogate fields. The bias and root mean square error in various radiative properties is small and the deviations in the radiances and irradiances are not statistically significant, i.e. these deviations can be attributed to the Monte Carlo noise of the radiative transfer calculations. We compared these results with optical properties of synthetic clouds that have either the correct distribution (but no spatial correlations) or the correct power spectrum (but a Gaussian distribution). These clouds did show statistical significant deviations. For more information see: http://www.meteo.uni-bonn.de/venema/themes/surrogates/

An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings

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

Pavanello, Michele; Van Voorhis, Troy; Visscher, Lucas

2013-02-07

Quantum-mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the frozen density embedding formulation of subsystem density-functional theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlapmore » matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against coupled-cluster calculations and achieves chemical accuracy for the systems considered for intermolecular separations ranging from hydrogen-bond distances to tens of Angstroms. Numerical examples are provided for molecular clusters comprised of up to 56 non-covalently bound molecules.« less

An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings.

PubMed

Pavanello, Michele; Van Voorhis, Troy; Visscher, Lucas; Neugebauer, Johannes

2013-02-07

Quantum-mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the frozen density embedding formulation of subsystem density-functional theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlap matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against coupled-cluster calculations and achieves chemical accuracy for the systems considered for intermolecular separations ranging from hydrogen-bond distances to tens of Ångstroms. Numerical examples are provided for molecular clusters comprised of up to 56 non-covalently bound molecules.

Optimization of a hybrid exchange-correlation functional for silicon carbides

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

Oda, Takuji; Zhang, Yanwen; Weber, William J

2013-01-01

A hybrid exchange-correlation functional is optimized in order to accurately describe the nature of silicon carbides (SiC) in the framework of ab-initio calculations based on density functional theory (DFT), especially with an aim toward future applications in defect studies. It is shown that the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional with the screening parameter of 0.15 -1 outperforms conventional exchange-correlation functionals and other popular hybrid functionals regarding description of band structures in SiC. High transferability is proven through assessment over various SiC polytypes, silicon and diamond. Excellent performance is also confirmed for other fundamental material properties including elastic constants and phonon frequency.

Numerical Simulation of Natural Convection of a Nanofluid in an Inclined Heated Enclosure Using Two-Phase Lattice Boltzmann Method: Accurate Effects of Thermophoresis and Brownian Forces.

PubMed

Ahmed, Mahmoud; Eslamian, Morteza

2015-12-01

Laminar natural convection in differentially heated (β = 0°, where β is the inclination angle), inclined (β = 30° and 60°), and bottom-heated (β = 90°) square enclosures filled with a nanofluid is investigated, using a two-phase lattice Boltzmann simulation approach. The effects of the inclination angle on Nu number and convection heat transfer coefficient are studied. The effects of thermophoresis and Brownian forces which create a relative drift or slip velocity between the particles and the base fluid are included in the simulation. The effect of thermophoresis is considered using an accurate and quantitative formula proposed by the authors. Some of the existing results on natural convection are erroneous due to using wrong thermophoresis models or simply ignoring the effect. Here we show that thermophoresis has a considerable effect on heat transfer augmentation in laminar natural convection. Our non-homogenous modeling approach shows that heat transfer in nanofluids is a function of the inclination angle and Ra number. It also reveals some details of flow behavior which cannot be captured by single-phase models. The minimum heat transfer rate is associated with β = 90° (bottom-heated) and the maximum heat transfer rate occurs in an inclination angle which varies with the Ra number.

System and method for characterizing voiced excitations of speech and acoustic signals, removing acoustic noise from speech, and synthesizing speech

DOEpatents

Burnett, Greg C [Livermore, CA; Holzrichter, John F [Berkeley, CA; Ng, Lawrence C [Danville, CA

2006-08-08

The present invention is a system and method for characterizing human (or animate) speech voiced excitation functions and acoustic signals, for removing unwanted acoustic noise which often occurs when a speaker uses a microphone in common environments, and for synthesizing personalized or modified human (or other animate) speech upon command from a controller. A low power EM sensor is used to detect the motions of windpipe tissues in the glottal region of the human speech system before, during, and after voiced speech is produced by a user. From these tissue motion measurements, a voiced excitation function can be derived. Further, the excitation function provides speech production information to enhance noise removal from human speech and it enables accurate transfer functions of speech to be obtained. Previously stored excitation and transfer functions can be used for synthesizing personalized or modified human speech. Configurations of EM sensor and acoustic microphone systems are described to enhance noise cancellation and to enable multiple articulator measurements.

System and method for characterizing voiced excitations of speech and acoustic signals, removing acoustic noise from speech, and synthesizing speech

DOEpatents

Burnett, Greg C.; Holzrichter, John F.; Ng, Lawrence C.

2004-03-23

The present invention is a system and method for characterizing human (or animate) speech voiced excitation functions and acoustic signals, for removing unwanted acoustic noise which often occurs when a speaker uses a microphone in common environments, and for synthesizing personalized or modified human (or other animate) speech upon command from a controller. A low power EM sensor is used to detect the motions of windpipe tissues in the glottal region of the human speech system before, during, and after voiced speech is produced by a user. From these tissue motion measurements, a voiced excitation function can be derived. Further, the excitation function provides speech production information to enhance noise removal from human speech and it enables accurate transfer functions of speech to be obtained. Previously stored excitation and transfer functions can be used for synthesizing personalized or modified human speech. Configurations of EM sensor and acoustic microphone systems are described to enhance noise cancellation and to enable multiple articulator measurements.

System and method for characterizing voiced excitations of speech and acoustic signals, removing acoustic noise from speech, and synthesizing speech

DOEpatents

Burnett, Greg C.; Holzrichter, John F.; Ng, Lawrence C.

2006-02-14

The present invention is a system and method for characterizing human (or animate) speech voiced excitation functions and acoustic signals, for removing unwanted acoustic noise which often occurs when a speaker uses a microphone in common environments, and for synthesizing personalized or modified human (or other animate) speech upon command from a controller. A low power EM sensor is used to detect the motions of windpipe tissues in the glottal region of the human speech system before, during, and after voiced speech is produced by a user. From these tissue motion measurements, a voiced excitation function can be derived. Further, the excitation function provides speech production information to enhance noise removal from human speech and it enables accurate transfer functions of speech to be obtained. Previously stored excitation and transfer functions can be used for synthesizing personalized or modified human speech. Configurations of EM sensor and acoustic microphone systems are described to enhance noise cancellation and to enable multiple articulator measurements.

System And Method For Characterizing Voiced Excitations Of Speech And Acoustic Signals, Removing Acoustic Noise From Speech, And Synthesizi

DOEpatents

Burnett, Greg C.; Holzrichter, John F.; Ng, Lawrence C.

2006-04-25

The present invention is a system and method for characterizing human (or animate) speech voiced excitation functions and acoustic signals, for removing unwanted acoustic noise which often occurs when a speaker uses a microphone in common environments, and for synthesizing personalized or modified human (or other animate) speech upon command from a controller. A low power EM sensor is used to detect the motions of windpipe tissues in the glottal region of the human speech system before, during, and after voiced speech is produced by a user. From these tissue motion measurements, a voiced excitation function can be derived. Further, the excitation function provides speech production information to enhance noise removal from human speech and it enables accurate transfer functions of speech to be obtained. Previously stored excitation and transfer functions can be used for synthesizing personalized or modified human speech. Configurations of EM sensor and acoustic microphone systems are described to enhance noise cancellation and to enable multiple articulator measurements.

Exchange-Hole Dipole Dispersion Model for Accurate Energy Ranking in Molecular Crystal Structure Prediction.

PubMed

Whittleton, Sarah R; Otero-de-la-Roza, A; Johnson, Erin R

2017-02-14

Accurate energy ranking is a key facet to the problem of first-principles crystal-structure prediction (CSP) of molecular crystals. This work presents a systematic assessment of B86bPBE-XDM, a semilocal density functional combined with the exchange-hole dipole moment (XDM) dispersion model, for energy ranking using 14 compounds from the first five CSP blind tests. Specifically, the set of crystals studied comprises 11 rigid, planar compounds and 3 co-crystals. The experimental structure was correctly identified as the lowest in lattice energy for 12 of the 14 total crystals. One of the exceptions is 4-hydroxythiophene-2-carbonitrile, for which the experimental structure was correctly identified once a quasi-harmonic estimate of the vibrational free-energy contribution was included, evidencing the occasional importance of thermal corrections for accurate energy ranking. The other exception is an organic salt, where charge-transfer error (also called delocalization error) is expected to cause the base density functional to be unreliable. Provided the choice of base density functional is appropriate and an estimate of temperature effects is used, XDM-corrected density-functional theory is highly reliable for the energetic ranking of competing crystal structures.

The Evolution of a More Rigorous Approach to Benefit Transfer: Benefit Function Transfer

NASA Astrophysics Data System (ADS)

Loomis, John B.

1992-03-01

The desire for economic values of recreation for unstudied recreation resources dates back to the water resource development benefit-cost analyses of the early 1960s. Rather than simply applying existing estimates of benefits per trip to the study site, a fairly rigorous approach was developed by a number of economists. This approach involves application of travel cost demand equations and contingent valuation benefit functions from existing sites to the new site. In this way the spatial market of the new site (i.e., its differing own price, substitute prices and population distribution) is accounted for in the new estimate of total recreation benefits. The assumptions of benefit transfer from recreation sites in one state to another state for the same recreation activity is empirically tested. The equality of demand coefficients for ocean sport salmon fishing in Oregon versus Washington and for freshwater steelhead fishing in Oregon versus Idaho is rejected. Thus transfer of either demand equations or average benefits per trip are likely to be in error. Using the Oregon steelhead equation, benefit transfers to rivers within the state are shown to be accurate to within 5-15%.

PROCEDURES FOR ACCURATE PRODUCTION OF COLOR IMAGES FROM SATELLITE OR AIRCRAFT MULTISPECTRAL DIGITAL DATA.

USGS Publications Warehouse

Duval, Joseph S.

1985-01-01

Because the display and interpretation of satellite and aircraft remote-sensing data make extensive use of color film products, accurate reproduction of the color images is important. To achieve accurate color reproduction, the exposure and chemical processing of the film must be monitored and controlled. By using a combination of sensitometry, densitometry, and transfer functions that control film response curves, all of the different steps in the making of film images can be monitored and controlled. Because a sensitometer produces a calibrated exposure, the resulting step wedge can be used to monitor the chemical processing of the film. Step wedges put on film by image recording machines provide a means of monitoring the film exposure and color balance of the machines.

Non-vascularized free toe phalanx transfers in congenital hand deformities--the Great Ormond Street experience.

PubMed

Cavallo, A V; Smith, P J; Morley, S; Morsi, A W

2003-12-01

Many options of varying complexity are available for the management of congenital short digits resulting from aphalangia in symbrachydactyly and constriction ring syndrome. We have used non-vascularized free toe phalanx transfers for these children when a vascularized toe transfer has been contraindicated. We describe our technique and experience with 22 children who underwent a total of 64 transfers of the proximal (35) or middle (29) toe phalanges (average 3 per child). The mean age at initial surgery was 15 months, and the mean follow-up was 5 years. Duration of time until epiphyseal closure could not be determined accurately, but total digital elongation averaged 6mm. Complications of this technique include joint instability, premature epiphyseal closure and, in one patient, infection and graft loss. Donor site deformity was determined according to measured growth deficit and toe function. This technique is a simple option for digital elongation and, if performed in the appropriate age group in short fingered and monodactylous subtypes of symbrachydactyly, has the potential to allow growth and function with minimal donor site deficit.

3ARM: A Fast, Accurate Radiative Transfer Model for Use in Climate Models

NASA Technical Reports Server (NTRS)

Bergstrom, R. W.; Kinne, S.; Sokolik, I. N.; Toon, O. B.; Mlawer, E. J.; Clough, S. A.; Ackerman, T. P.; Mather, J.

1996-01-01

A new radiative transfer model combining the efforts of three groups of researchers is discussed. The model accurately computes radiative transfer in a inhomogeneous absorbing, scattering and emitting atmospheres. As an illustration of the model, results are shown for the effects of dust on the thermal radiation.

3ARM: A Fast, Accurate Radiative Transfer Model for use in Climate Models

NASA Technical Reports Server (NTRS)

Bergstrom, R. W.; Kinne, S.; Sokolik, I. N.; Toon, O. B.; Mlawer, E. J.; Clough, S. A.; Ackerman, T. P.; Mather, J.

1996-01-01

A new radiative transfer model combining the efforts of three groups of researchers is discussed. The model accurately computes radiative transfer in a inhomogeneous absorbing, scattering and emitting atmospheres. As an illustration of the model, results are shown for the effects of dust on the thermal radiation.

3ARM: A Fast, Accurate Radiative Transfer Model For Use in Climate Models

NASA Technical Reports Server (NTRS)

Bergstrom, R. W.; Kinne, S.; Sokolik, I. N.; Toon, O. B.; Mlawer, E. J.; Clough, S. A.; Ackerman, T. P.; Mather, J.

1996-01-01

A new radiative transfer model combining the efforts of three groups of researchers is discussed. The model accurately computes radiative transfer in a inhomogeneous absorbing, scattering and emitting atmospheres. As an illustration of the model, results are shown for the effects of dust on the thermal radiation.

Analysis of metal transfer in gas metal arc welding

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

Kim, Y.S.; Eager, T.W.

1993-06-01

Droplet sizes produced in GMAW are predicted using both the static force balance theory and the pinch instability theory as a function of welding current, and the results are compared with experimental measurements. The causes for the deviation of predicted droplet size from measured size are discussed with suggestions for modification of the theories in order to more accurately model metal transfer in GMAW. The mechanism of repelled metal transfer is also discussed. The transition of metal transfer mode has been considered as a critical phenomenon which changes dramatically over a narrow range of welding current. This transition has beenmore » investigated experimentally using high-speed videography which shows that the transition is much more gradual than is generally believed. The mechanism of the transition is discussed using a modified static force balance theory.« less

Actuator and aerodynamic modeling for high-angle-of-attack aeroservoelasticity

NASA Technical Reports Server (NTRS)

Brenner, Martin J.

1993-01-01

Accurate prediction of airframe/actuation coupling is required by the imposing demands of modern flight control systems. In particular, for agility enhancement at high angle of attack and low dynamic pressure, structural integration characteristics such as hinge moments, effective actuator stiffness, and airframe/control surface damping can have a significant effect on stability predictions. Actuator responses are customarily represented with low-order transfer functions matched to actuator test data, and control surface stiffness is often modeled as a linear spring. The inclusion of the physical properties of actuation and its installation on the airframe is therefore addressed in this paper using detailed actuator models which consider the physical, electrical, and mechanical elements of actuation. The aeroservoelastic analysis procedure is described in which the actuators are modeled as detailed high-order transfer functions and as approximate low-order transfer functions. The impacts of unsteady aerodynamic modeling on aeroservoelastic stability are also investigated in this paper by varying the order of approximation, or number of aerodynamic lag states, in the analysis. Test data from a thrust-vectoring configuration of an F/A-18 aircraft are compared to predictions to determine the effects on accuracy as a function of modeling complexity.

Actuator and aerodynamic modeling for high-angle-of-attack aeroservoelasticity

NASA Technical Reports Server (NTRS)

Brenner, Martin J.

1993-01-01

Accurate prediction of airframe/actuation coupling is required by the imposing demands of modern flight control systems. In particular, for agility enhancement at high angle of attack and low dynamic pressure, structural integration characteristics such as hinge moments, effective actuator stiffness, and airframe/control surface damping can have a significant effect on stability predictions. Actuator responses are customarily represented with low-order transfer functions matched to actuator test data, and control surface stiffness is often modeled as a linear spring. The inclusion of the physical properties of actuation and its installation on the airframe is therefore addressed using detailed actuator models which consider the physical, electrical, and mechanical elements of actuation. The aeroservoelastic analysis procedure is described in which the actuators are modeled as detailed high-order transfer functions and as approximate low-order transfer functions. The impacts of unsteady aerodynamic modeling on aeroservoelastic stability are also investigated by varying the order of approximation, or number of aerodynamic lag states, in the analysis. Test data from a thrust-vectoring configuration of an F/A-l8 aircraft are compared to predictions to determine the effects on accuracy as a function of modeling complexity.

Discontinuous Galerkin finite element methods for radiative transfer in spherical symmetry

NASA Astrophysics Data System (ADS)

Kitzmann, D.; Bolte, J.; Patzer, A. B. C.

2016-11-01

The discontinuous Galerkin finite element method (DG-FEM) is successfully applied to treat a broad variety of transport problems numerically. In this work, we use the full capacity of the DG-FEM to solve the radiative transfer equation in spherical symmetry. We present a discontinuous Galerkin method to directly solve the spherically symmetric radiative transfer equation as a two-dimensional problem. The transport equation in spherical atmospheres is more complicated than in the plane-parallel case owing to the appearance of an additional derivative with respect to the polar angle. The DG-FEM formalism allows for the exact integration of arbitrarily complex scattering phase functions, independent of the angular mesh resolution. We show that the discontinuous Galerkin method is able to describe accurately the radiative transfer in extended atmospheres and to capture discontinuities or complex scattering behaviour which might be present in the solution of certain radiative transfer tasks and can, therefore, cause severe numerical problems for other radiative transfer solution methods.

Binaural Simulation Experiments in the NASA Langley Structural Acoustics Loads and Transmission Facility

NASA Technical Reports Server (NTRS)

Grosveld, Ferdinand W.; Silcox, Richard (Technical Monitor)

2001-01-01

A location and positioning system was developed and implemented in the anechoic chamber of the Structural Acoustics Loads and Transmission (SALT) facility to accurately determine the coordinates of points in three-dimensional space. Transfer functions were measured between a shaker source at two different panel locations and the vibrational response distributed over the panel surface using a scanning laser vibrometer. The binaural simulation test matrix included test runs for several locations of the measuring microphones, various attitudes of the mannequin, two locations of the shaker excitation and three different shaker inputs including pulse, broadband random, and pseudo-random. Transfer functions, auto spectra, and coherence functions were acquired for the pseudo-random excitation. Time histories were acquired for the pulse and broadband random input to the shaker. The tests were repeated with a reflective surface installed. Binary data files were converted to universal format and archived on compact disk.

Problems in Navy Reimbursable Accounting

DTIC Science & Technology

1990-12-01

and relies heavily on the cost accounting function to accurately log expenses against the correct job order number. These factors, coupled with the...complete funding documents. * Failure to follow regulations. * Cost transfer problems. * DOD accounting policy change and its impact on intra...by an amount equal to the lost (expired) reimbursable funds from the previous fiscal year. 4. The Importance of Cost Accounting In order to

Melatonin charge transfer complex with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone: Molecular structure, DFT studies, thermal analyses, evaluation of biological activity and utility for determination of melatonin in pure and dosage forms

NASA Astrophysics Data System (ADS)

Mohamed, Gehad G.; Hamed, Maher M.; Zaki, Nadia G.; Abdou, Mohamed M.; Mohamed, Marwa El-Badry; Abdallah, Abanoub Mosaad

2017-07-01

A simple, accurate and fast spectrophotometric method for the quantitative determination of melatonin (ML) drug in its pure and pharmaceutical forms was developed based on the formation of its charge transfer complex with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) as an electron acceptor. The different conditions for this method were optimized accurately. The Lambert-Beer's law was found to be valid over the concentration range of 4-100 μg mL- 1 ML. The solid form of the CT complex was structurally characterized by means of different spectral methods. Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations were carried out. The different quantum chemical parameters of the CT complex were calculated. Thermal properties of the CT complex and its kinetic thermodynamic parameters were studied, as well as its antimicrobial and antifungal activities were investigated. Molecular docking studies were performed to predict the binding modes of the CT complex components towards E. coli bacterial RNA and the receptor of breast cancer mutant oxidoreductase.

Phase retrieval with tunable phase transfer function based on the transport of intensity equation

NASA Astrophysics Data System (ADS)

Martinez-Carranza, J.; Stepien, P.; Kozacki, T.

2017-06-01

Recovering phase information with Deterministic approaches as the Transport of Intensity Equation (TIE) has recently emerged as an alternative tool to the interferometric techniques because it is experimentally easy to implement and provides fast and accurate results. Moreover, the potential of employing partially coherent illumination (PCI) in such techniques allow obtaining high quality phase reconstructions providing that the estimation of the corresponding Phase Transfer Function (PTF) is carried out correctly. Hence, accurate estimation of the PTF requires that the physical properties of the optical system are well known. Typically, these parameters are assumed constant in all the set of measurements, which might not be optimal. In this work, we proposed the use of an amplitude Spatial Light Modulator (aSLM) for tuning the degree of coherence of the optical system. The aSLM will be placed at the Fourier plane of the optical system, and then, band pass filters will be displayed. This methodology will perform amplitude modulation of the propagated field and as a result, the state of coherence of the optical system can be modified. Theoretical and experimental results that validate our proposed technique will be shown.

Melatonin charge transfer complex with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone: Molecular structure, DFT studies, thermal analyses, evaluation of biological activity and utility for determination of melatonin in pure and dosage forms.

PubMed

Mohamed, Gehad G; Hamed, Maher M; Zaki, Nadia G; Abdou, Mohamed M; Mohamed, Marwa El-Badry; Abdallah, Abanoub Mosaad

2017-07-05

A simple, accurate and fast spectrophotometric method for the quantitative determination of melatonin (ML) drug in its pure and pharmaceutical forms was developed based on the formation of its charge transfer complex with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) as an electron acceptor. The different conditions for this method were optimized accurately. The Lambert-Beer's law was found to be valid over the concentration range of 4-100μgmL -1 ML. The solid form of the CT complex was structurally characterized by means of different spectral methods. Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations were carried out. The different quantum chemical parameters of the CT complex were calculated. Thermal properties of the CT complex and its kinetic thermodynamic parameters were studied, as well as its antimicrobial and antifungal activities were investigated. Molecular docking studies were performed to predict the binding modes of the CT complex components towards E. coli bacterial RNA and the receptor of breast cancer mutant oxidoreductase. Copyright © 2017 Elsevier B.V. All rights reserved.

Distal Nerve Transfers: A Perspective on the Future of Reconstructive Microsurgery.

PubMed

Chuang, David Chwei-Chin

2018-05-16

 Nerve transfer can be broadly separated into two categories: proximal nerve graft and/or transfer and distal nerve transfer. The superiority of proximal nerve graft/transfer over distal nerve transfer strategy has been debated extensively, but which strategy is the best has not yet been defined. Each technique has its own advantages and disadvantages. However, proximal nerve graft/transfer is still the main reconstructive procedure based on the principle of "no diagnosis, then no treatment." Proximal nerve transfer can avoid iatrogenic injury where the lesion is still in continuity and neurolysis is the only procedure without further cutting the nerve.  Our clinical and experimental study show that proximal nerve grafts/transfers yield at least equal or better results compared to distal nerve transfers. Proximal nerve grafts/transfers remain the mainstay of my reconstructive strategy. Proximal nerve graft/transfer offers more accurate diagnosis and proper treatment to restore shoulder and elbow functions simultaneously. Distal nerve transfers can offer more efficient elbow flexion.  Combined, both strategies in primary nerve reconstruction are especially recommended when there is no healthy or not enough donor nerve available Distal nerve transfers should be considered as a complementary option for proximal nerve grafts/ transfers. Thieme Medical Publishers 333 Seventh Avenue, New York, NY 10001, USA.

Conjugate heat and mass transfer in the lattice Boltzmann equation method.

PubMed

Li, Like; Chen, Chen; Mei, Renwei; Klausner, James F

2014-04-01

An interface treatment for conjugate heat and mass transfer in the lattice Boltzmann equation method is proposed based on our previously proposed second-order accurate Dirichlet and Neumann boundary schemes. The continuity of temperature (concentration) and its flux at the interface for heat (mass) transfer is intrinsically satisfied without iterative computations, and the interfacial temperature (concentration) and their fluxes are conveniently obtained from the microscopic distribution functions without finite-difference calculations. The present treatment takes into account the local geometry of the interface so that it can be directly applied to curved interface problems such as conjugate heat and mass transfer in porous media. For straight interfaces or curved interfaces with no tangential gradient, the coupling between the interfacial fluxes along the discrete lattice velocity directions is eliminated and thus the proposed interface schemes can be greatly simplified. Several numerical tests are conducted to verify the applicability and accuracy of the proposed conjugate interface treatment, including (i) steady convection-diffusion in a channel containing two different fluids, (ii) unsteady convection-diffusion in the channel, (iii) steady heat conduction inside a circular domain with two different solid materials, and (iv) unsteady mass transfer from a spherical droplet in an extensional creeping flow. The accuracy and order of convergence of the simulated interior temperature (concentration) field, the interfacial temperature (concentration), and heat (mass) flux are examined in detail and compared with those obtained from the "half-lattice division" treatment in the literature. The present analysis and numerical results show that the half-lattice division scheme is second-order accurate only when the interface is fixed at the center of the lattice links, while the present treatment preserves second-order accuracy for arbitrary link fractions. For curved interfaces, the present treatment yields second-order accurate interior and interfacial temperatures (concentrations) and first-order accurate interfacial heat (mass) flux. An increase of order of convergence by one degree is obtained for each of these three quantities compared with the half-lattice division scheme. The surface-averaged Sherwood numbers computed in test (iv) agree well with published results.

Conjugate heat and mass transfer in the lattice Boltzmann equation method

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

Li, LK; Chen, C; Mei, RW

2014-04-22

An interface treatment for conjugate heat and mass transfer in the lattice Boltzmann equation method is proposed based on our previously proposed second-order accurate Dirichlet and Neumann boundary schemes. The continuity of temperature (concentration) and its flux at the interface for heat (mass) transfer is intrinsically satisfied without iterative computations, and the interfacial temperature (concentration) and their fluxes are conveniently obtained from the microscopic distribution functions without finite-difference calculations. The present treatment takes into account the local geometry of the interface so that it can be directly applied to curved interface problems such as conjugate heat and mass transfer inmore » porous media. For straight interfaces or curved interfaces with no tangential gradient, the coupling between the interfacial fluxes along the discrete lattice velocity directions is eliminated and thus the proposed interface schemes can be greatly simplified. Several numerical tests are conducted to verify the applicability and accuracy of the proposed conjugate interface treatment, including (i) steady convection-diffusion in a channel containing two different fluids, (ii) unsteady convection-diffusion in the channel, (iii) steady heat conduction inside a circular domain with two different solid materials, and (iv) unsteady mass transfer from a spherical droplet in an extensional creeping flow. The accuracy and order of convergence of the simulated interior temperature (concentration) field, the interfacial temperature (concentration), and heat (mass) flux are examined in detail and compared with those obtained from the "half-lattice division" treatment in the literature. The present analysis and numerical results show that the half-lattice division scheme is second-order accurate only when the interface is fixed at the center of the lattice links, while the present treatment preserves second-order accuracy for arbitrary link fractions. For curved interfaces, the present treatment yields second-order accurate interior and interfacial temperatures (concentrations) and first-order accurate interfacial heat (mass) flux. An increase of order of convergence by one degree is obtained for each of these three quantities compared with the half-lattice division scheme. The surface-averaged Sherwood numbers computed in test (iv) agree well with published results.« less

Separation of presampling and postsampling modulation transfer functions in infrared sensor systems

NASA Astrophysics Data System (ADS)

Espinola, Richard L.; Olson, Jeffrey T.; O'Shea, Patrick D.; Hodgkin, Van A.; Jacobs, Eddie L.

2006-05-01

New methods of measuring the modulation transfer function (MTF) of electro-optical sensor systems are investigated. These methods are designed to allow the separation and extraction of presampling and postsampling components from the total system MTF. The presampling MTF includes all the effects prior to the sampling stage of the imaging process, such as optical blur and detector shape. The postsampling MTF includes all the effects after sampling, such as interpolation filters and display characteristics. Simulation and laboratory measurements are used to assess the utility of these techniques. Knowledge of these components and inclusion into sensor models, such as the U.S. Army RDECOM CERDEC Night Vision and Electronic Sensors Directorate's NVThermIP, will allow more accurate modeling and complete characterization of sensor performance.

Enhancements to the SSME transfer function modeling code

NASA Technical Reports Server (NTRS)

Irwin, R. Dennis; Mitchell, Jerrel R.; Bartholomew, David L.; Glenn, Russell D.

1995-01-01

This report details the results of a one year effort by Ohio University to apply the transfer function modeling and analysis tools developed under NASA Grant NAG8-167 (Irwin, 1992), (Bartholomew, 1992) to attempt the generation of Space Shuttle Main Engine High Pressure Turbopump transfer functions from time domain data. In addition, new enhancements to the transfer function modeling codes which enhance the code functionality are presented, along with some ideas for improved modeling methods and future work. Section 2 contains a review of the analytical background used to generate transfer functions with the SSME transfer function modeling software. Section 2.1 presents the 'ratio method' developed for obtaining models of systems that are subject to single unmeasured excitation sources and have two or more measured output signals. Since most of the models developed during the investigation use the Eigensystem Realization Algorithm (ERA) for model generation, Section 2.2 presents an introduction of ERA, and Section 2.3 describes how it can be used to model spectral quantities. Section 2.4 details the Residue Identification Algorithm (RID) including the use of Constrained Least Squares (CLS) and Total Least Squares (TLS). Most of this information can be found in the report (and is repeated for convenience). Section 3 chronicles the effort of applying the SSME transfer function modeling codes to the a51p394.dat and a51p1294.dat time data files to generate transfer functions from the unmeasured input to the 129.4 degree sensor output. Included are transfer function modeling attempts using five methods. The first method is a direct application of the SSME codes to the data files and the second method uses the underlying trends in the spectral density estimates to form transfer function models with less clustering of poles and zeros than the models obtained by the direct method. In the third approach, the time data is low pass filtered prior to the modeling process in an effort to filter out high frequency characteristics. The fourth method removes the presumed system excitation and its harmonics in order to investigate the effects of the excitation on the modeling process. The fifth method is an attempt to apply constrained RID to obtain better transfer functions through more accurate modeling over certain frequency ranges. Section 4 presents some new C main files which were created to round out the functionality of the existing SSME transfer function modeling code. It is now possible to go from time data to transfer function models using only the C codes; it is not necessary to rely on external software. The new C main files and instructions for their use are included. Section 5 presents current and future enhancements to the XPLOT graphics program which was delivered with the initial software. Several new features which have been added to the program are detailed in the first part of this section. The remainder of Section 5 then lists some possible features which may be added in the future. Section 6 contains the conclusion section of this report. Section 6.1 is an overview of the work including a summary and observations relating to finding transfer functions with the SSME code. Section 6.2 contains information relating to future work on the project.

Radiative transfer code SHARM for atmospheric and terrestrial applications

NASA Astrophysics Data System (ADS)

Lyapustin, A. I.

2005-12-01

An overview of the publicly available radiative transfer Spherical Harmonics code (SHARM) is presented. SHARM is a rigorous code, as accurate as the Discrete Ordinate Radiative Transfer (DISORT) code, yet faster. It performs simultaneous calculations for different solar zenith angles, view zenith angles, and view azimuths and allows the user to make multiwavelength calculations in one run. The Δ-M method is implemented for calculations with highly anisotropic phase functions. Rayleigh scattering is automatically included as a function of wavelength, surface elevation, and the selected vertical profile of one of the standard atmospheric models. The current version of the SHARM code does not explicitly include atmospheric gaseous absorption, which should be provided by the user. The SHARM code has several built-in models of the bidirectional reflectance of land and wind-ruffled water surfaces that are most widely used in research and satellite data processing. A modification of the SHARM code with the built-in Mie algorithm designed for calculations with spherical aerosols is also described.

Radiative transfer code SHARM for atmospheric and terrestrial applications.

PubMed

Lyapustin, A I

2005-12-20

An overview of the publicly available radiative transfer Spherical Harmonics code (SHARM) is presented. SHARM is a rigorous code, as accurate as the Discrete Ordinate Radiative Transfer (DISORT) code, yet faster. It performs simultaneous calculations for different solar zenith angles, view zenith angles, and view azimuths and allows the user to make multiwavelength calculations in one run. The Delta-M method is implemented for calculations with highly anisotropic phase functions. Rayleigh scattering is automatically included as a function of wavelength, surface elevation, and the selected vertical profile of one of the standard atmospheric models. The current version of the SHARM code does not explicitly include atmospheric gaseous absorption, which should be provided by the user. The SHARM code has several built-in models of the bidirectional reflectance of land and wind-ruffled water surfaces that are most widely used in research and satellite data processing. A modification of the SHARM code with the built-in Mie algorithm designed for calculations with spherical aerosols is also described.

Real-time digital signal recovery for a multi-pole low-pass transfer function system.

PubMed

Lee, Jhinhwan

2017-08-01

In order to solve the problems of waveform distortion and signal delay by many physical and electrical systems with multi-pole linear low-pass transfer characteristics, a simple digital-signal-processing (DSP)-based method of real-time recovery of the original source waveform from the distorted output waveform is proposed. A mathematical analysis on the convolution kernel representation of the single-pole low-pass transfer function shows that the original source waveform can be accurately recovered in real time using a particular moving average algorithm applied on the input stream of the distorted waveform, which can also significantly reduce the overall delay time constant. This method is generalized for multi-pole low-pass systems and has noise characteristics of the inverse of the low-pass filter characteristics. This method can be applied to most sensors and amplifiers operating close to their frequency response limits to improve the overall performance of data acquisition systems and digital feedback control systems.

Accurate calibration of waveform data measured by the Plasma Wave Experiment on board the ARASE satellite

NASA Astrophysics Data System (ADS)

Kitahara, M.; Katoh, Y.; Hikishima, M.; Kasahara, Y.; Matsuda, S.; Kojima, H.; Ozaki, M.; Yagitani, S.

2017-12-01

The Plasma Wave Experiment (PWE) is installed on board the ARASE satellite to measure the electric field in the frequency range from DC to 10 MHz, and the magnetic field in the frequency range from a few Hz to 100 kHz using two dipole wire-probe antennas (WPT) and three magnetic search coils (MSC), respectively. In particular, the Waveform Capture (WFC), one of the receivers of the PWE, can detect electromagnetic field waveform in the frequency range from a few Hz to 20 kHz. The Software-type Wave Particle Interaction Analyzer (S-WPIA) is installed on the ARASE satellite to measure the energy exchange between plasma waves and particles. Since S-WPIA uses the waveform data measured by WFC to calculate the relative phase angle between the wave magnetic field and velocity of energetic electrons, the high-accuracy is required to calibration of both amplitude and phase of the waveform data. Generally, the calibration procedure of the signal passed through a receiver consists of three steps; the transformation into spectra, the calibration by the transfer function of a receiver, and the inverse transformation of the calibrated spectra into the time domain. Practically, in order to reduce the side robe effect, a raw data is filtered by a window function in the time domain before applying Fourier transform. However, for the case that a first order differential coefficient of the phase transfer function of the system is not negligible, the phase of the window function convoluted into the calibrated spectra is shifted differently at each frequency, resulting in a discontinuity in the time domain of the calibrated waveform data. To eliminate the effect of the phase shift of a window function, we suggest several methods to calibrate a waveform data accurately and carry out simulations assuming simple sinusoidal waves as an input signal and using transfer functions of WPT, MSC, and WFC obtained in pre-flight tests. In consequence, we conclude that the following two methods can reduce an error contaminated through the calibration to less than 0.1 % of amplitude of input waves; (1) a Turkey-type window function with a flat top region of one-third of the window length and (2) modification of the window function for each frequency by referring the estimation of the phase shift due to the first order differential coefficient from the transfer functions.

MRI-based, wireless determination of the transfer function of a linear implant: Introduction of the transfer matrix.

PubMed

Tokaya, Janot P; Raaijmakers, Alexander J E; Luijten, Peter R; van den Berg, Cornelis A T

2018-04-24

We introduce the transfer matrix (TM) that makes MR-based wireless determination of transfer functions (TFs) possible. TFs are implant specific measures for RF-safety assessment of linear implants. The TF relates an incident tangential electric field on an implant to a scattered electric field at its tip that generally governs local heating. The TM extends this concept and relates an incident tangential electric field to a current distribution in the implant therewith characterizing the RF response along the entire implant. The TM is exploited to measure TFs with MRI without hardware alterations. A model of rightward and leftward propagating attenuated waves undergoing multiple reflections is used to derive an analytical expression for the TM. This allows parameterization of the TM of generic implants, e.g., (partially) insulated single wires, in a homogeneous medium in a few unknowns that simultaneously describe the TF. These unknowns can be determined with MRI making it possible to measure the TM and, therefore, also the TF. The TM is able to predict an induced current due to an incident electric field and can be accurately parameterized with a limited number of unknowns. Using this description the TF is determined accurately (with a Pearson correlation coefficient R ≥ 0.9 between measurements and simulations) from MRI acquisitions. The TM enables measuring of TFs with MRI of the tested generic implant models. The MR-based method does not need hardware alterations and is wireless hence making TF determination in more realistic scenarios conceivable. © 2018 The Authors Magnetic Resonance in Medicine published by Wiley Periodicals, Inc. on behalf of International Society for Magnetic Resonance in Medicine.

Charge exchange cross sections in slow collisions of Si3+ with Hydrogen atom

NASA Astrophysics Data System (ADS)

Joseph, Dwayne; Quashie, Edwin; Saha, Bidhan

2011-05-01

In recent years both the experimental and theoretical studies of electron transfer in ion-atom collisions have progressed considerably. Accurate determination of the cross sections and an understanding of the dynamics of the electron-capture process by multiply charged ions from atomic hydrogen over a wide range of projectile velocities are important in various field ranging from fusion plasma to astrophysics. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si3+, with neutrals in the cometary gas vapor. The cross sections are evaluated using the (a) full quantum and (b) semi-classical molecular orbital close coupling (MOCC) methods. Adiabatic potentials and wave functions for relavent singlet and triplet states are generated using the MRDCI structure codes. Details will be presented at the conference. In recent years both the experimental and theoretical studies of electron transfer in ion-atom collisions have progressed considerably. Accurate determination of the cross sections and an understanding of the dynamics of the electron-capture process by multiply charged ions from atomic hydrogen over a wide range of projectile velocities are important in various field ranging from fusion plasma to astrophysics. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si3+, with neutrals in the cometary gas vapor. The cross sections are evaluated using the (a) full quantum and (b) semi-classical molecular orbital close coupling (MOCC) methods. Adiabatic potentials and wave functions for relavent singlet and triplet states are generated using the MRDCI structure codes. Details will be presented at the conference. Work supported by NSF CREST project (grant #0630370).

Assessment of CO2 Storage Potential in Naturally Fractured Reservoirs With Dual-Porosity Models

NASA Astrophysics Data System (ADS)

March, Rafael; Doster, Florian; Geiger, Sebastian

2018-03-01

Naturally Fractured Reservoirs (NFR's) have received little attention as potential CO2 storage sites. Two main facts deter from storage projects in fractured reservoirs: (1) CO2 tends to be nonwetting in target formations and capillary forces will keep CO2 in the fractures, which typically have low pore volume; and (2) the high conductivity of the fractures may lead to increased spatial spreading of the CO2 plume. Numerical simulations are a powerful tool to understand the physics behind brine-CO2 flow in NFR's. Dual-porosity models are typically used to simulate multiphase flow in fractured formations. However, existing dual-porosity models are based on crude approximations of the matrix-fracture fluid transfer processes and often fail to capture the dynamics of fluid exchange accurately. Therefore, more accurate transfer functions are needed in order to evaluate the CO2 transfer to the matrix. This work presents an assessment of CO2 storage potential in NFR's using dual-porosity models. We investigate the impact of a system of fractures on storage in a saline aquifer, by analyzing the time scales of brine drainage by CO2 in the matrix blocks and the maximum CO2 that can be stored in the rock matrix. A new model to estimate drainage time scales is developed and used in a transfer function for dual-porosity simulations. We then analyze how injection rates should be limited in order to avoid early spill of CO2 (lost control of the plume) on a conceptual anticline model. Numerical simulations on the anticline show that naturally fractured reservoirs may be used to store CO2.

A reactive, scalable, and transferable model for molecular energies from a neural network approach based on local information

NASA Astrophysics Data System (ADS)

Unke, Oliver T.; Meuwly, Markus

2018-06-01

Despite the ever-increasing computer power, accurate ab initio calculations for large systems (thousands to millions of atoms) remain infeasible. Instead, approximate empirical energy functions are used. Most current approaches are either transferable between different chemical systems, but not particularly accurate, or they are fine-tuned to a specific application. In this work, a data-driven method to construct a potential energy surface based on neural networks is presented. Since the total energy is decomposed into local atomic contributions, the evaluation is easily parallelizable and scales linearly with system size. With prediction errors below 0.5 kcal mol-1 for both unknown molecules and configurations, the method is accurate across chemical and configurational space, which is demonstrated by applying it to datasets from nonreactive and reactive molecular dynamics simulations and a diverse database of equilibrium structures. The possibility to use small molecules as reference data to predict larger structures is also explored. Since the descriptor only uses local information, high-level ab initio methods, which are computationally too expensive for large molecules, become feasible for generating the necessary reference data used to train the neural network.

Study of Variable Turbulent Prandtl Number Model for Heat Transfer to Supercritical Fluids in Vertical Tubes

NASA Astrophysics Data System (ADS)

Tian, Ran; Dai, Xiaoye; Wang, Dabiao; Shi, Lin

2018-06-01

In order to improve the prediction performance of the numerical simulations for heat transfer of supercritical pressure fluids, a variable turbulent Prandtl number (Prt) model for vertical upward flow at supercritical pressures was developed in this study. The effects of Prt on the numerical simulation were analyzed, especially for the heat transfer deterioration conditions. Based on the analyses, the turbulent Prandtl number was modeled as a function of the turbulent viscosity ratio and molecular Prandtl number. The model was evaluated using experimental heat transfer data of CO2, water and Freon. The wall temperatures, including the heat transfer deterioration cases, were more accurately predicted by this model than by traditional numerical calculations with a constant Prt. By analyzing the predicted results with and without the variable Prt model, it was found that the predicted velocity distribution and turbulent mixing characteristics with the variable Prt model are quite different from that predicted by a constant Prt. When heat transfer deterioration occurs, the radial velocity profile deviates from the log-law profile and the restrained turbulent mixing then leads to the deteriorated heat transfer.

Bridging the Radiative Transfer Models for Meteorology and Solar Energy Applications

NASA Astrophysics Data System (ADS)

Xie, Y.; Sengupta, M.

2017-12-01

Radiative transfer models are used to compute solar radiation reaching the earth surface and play an important role in both meteorology and solar energy studies. Therefore, they are designed to meet the needs of specialized applications. For instance, radiative transfer models for meteorology seek to provide more accurate cloudy-sky radiation compared to models used in solar energy that are geared towards accuracy in clear-sky conditions associated with the maximum solar resource. However, models for solar energy applications are often computationally faster, as the complex solution of the radiative transfer equation is parameterized by atmospheric properties that can be acquired from surface- or satellite-based observations. This study introduces the National Renewable Energy Laboratory's (NREL's) recent efforts to combine the advantages of radiative transfer models designed for meteorology and solar energy applictions. A fast all-sky radiation model, FARMS-NIT, was developed to efficiently compute narrowband all-sky irradiances over inclined photovoltaic (PV) panels. This new model utilizes the optical preperties from a solar energy model, SMARTS, to computes surface radiation by considering all possible paths of photon transmission and the relevent scattering and absorption attenuation. For cloudy-sky conditions, cloud bidirectional transmittance functions (BTDFs) are provided by a precomputed lookup table (LUT) by LibRadtran. Our initial results indicate that FARMS-NIT has an accuracy that is similar to LibRadtran, a highly accurate multi-stream model, but is significantly more efficient. The development and validation of this model will be presented.

Accurate reconstruction of the optical parameter distribution in participating medium based on the frequency-domain radiative transfer equation

NASA Astrophysics Data System (ADS)

Qiao, Yao-Bin; Qi, Hong; Zhao, Fang-Zhou; Ruan, Li-Ming

2016-12-01

Reconstructing the distribution of optical parameters in the participating medium based on the frequency-domain radiative transfer equation (FD-RTE) to probe the internal structure of the medium is investigated in the present work. The forward model of FD-RTE is solved via the finite volume method (FVM). The regularization term formatted by the generalized Gaussian Markov random field model is used in the objective function to overcome the ill-posed nature of the inverse problem. The multi-start conjugate gradient (MCG) method is employed to search the minimum of the objective function and increase the efficiency of convergence. A modified adjoint differentiation technique using the collimated radiative intensity is developed to calculate the gradient of the objective function with respect to the optical parameters. All simulation results show that the proposed reconstruction algorithm based on FD-RTE can obtain the accurate distributions of absorption and scattering coefficients. The reconstructed images of the scattering coefficient have less errors than those of the absorption coefficient, which indicates the former are more suitable to probing the inner structure. Project supported by the National Natural Science Foundation of China (Grant No. 51476043), the Major National Scientific Instruments and Equipment Development Special Foundation of China (Grant No. 51327803), and the Foundation for Innovative Research Groups of the National Natural Science Foundation of China (Grant No. 51121004).

Best Practices in Overset Grid Generation

NASA Technical Reports Server (NTRS)

Gomez, Reynaldo J., III

2002-01-01

Accurate geometry + high quality grids are necessary for an accurate solution. Other requirements include a) Verified/validated solver with appropriate physics b) Convergence criteria consistent with application: 1) Aerodynamics - forces and moments; 2) Heat transfer - maximum and minimum heat transfer coefficients.

Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site

PubMed Central

Sigala, Paul A.; Fafarman, Aaron T.; Schwans, Jason P.; Fried, Stephen D.; Fenn, Timothy D.; Caaveiro, Jose M. M.; Pybus, Brandon; Ringe, Dagmar; Petsko, Gregory A.; Boxer, Steven G.; Herschlag, Daniel

2013-01-01

Hydrogen bond networks are key elements of protein structure and function but have been challenging to study within the complex protein environment. We have carried out in-depth interrogations of the proton transfer equilibrium within a hydrogen bond network formed to bound phenols in the active site of ketosteroid isomerase. We systematically varied the proton affinity of the phenol using differing electron-withdrawing substituents and incorporated site-specific NMR and IR probes to quantitatively map the proton and charge rearrangements within the network that accompany incremental increases in phenol proton affinity. The observed ionization changes were accurately described by a simple equilibrium proton transfer model that strongly suggests the intrinsic proton affinity of one of the Tyr residues in the network, Tyr16, does not remain constant but rather systematically increases due to weakening of the phenol–Tyr16 anion hydrogen bond with increasing phenol proton affinity. Using vibrational Stark spectroscopy, we quantified the electrostatic field changes within the surrounding active site that accompany these rearrangements within the network. We were able to model these changes accurately using continuum electrostatic calculations, suggesting a high degree of conformational restriction within the protein matrix. Our study affords direct insight into the physical and energetic properties of a hydrogen bond network within a protein interior and provides an example of a highly controlled system with minimal conformational rearrangements in which the observed physical changes can be accurately modeled by theoretical calculations. PMID:23798390

Simulations of string vibrations with boundary conditions of third kind using the functional transformation method

NASA Astrophysics Data System (ADS)

Trautmann, L.; Petrausch, S.; Bauer, M.

2005-09-01

The functional transformation method (FTM) is an established mathematical method for accurate simulation of multidimensional physical systems from various fields of science, including optics, heat and mass transfer, electrical engineering, and acoustics. It is a frequency-domain method based on the decomposition into eigenvectors and eigenfrequencies of the underlying physical problem. In this article, the FTM is applied to real-time simulations of vibrating strings which are ideally fixed at one end while the fixing at the other end is modeled by a frequency-dependent input impedance. Thus, boundary conditions of third kind are applied to the model at the end fixed with the input impedance. It is shown that accurate and stable simulations are achieved with nearly the same computational cost as with strings ideally fixed at both ends.

Integration Of Heat Transfer Coefficient In Glass Forming Modeling With Special Interface Element

NASA Astrophysics Data System (ADS)

Moreau, P.; César de Sá, J.; Grégoire, S.; Lochegnies, D.

2007-05-01

Numerical modeling of the glass forming processes requires the accurate knowledge of the heat exchange between the glass and the forming tools. A laboratory testing is developed to determine the evolution of the heat transfer coefficient in different glass/mould contact conditions (contact pressure, temperature, lubrication…). In this paper, trials are performed to determine heat transfer coefficient evolutions in experimental conditions close to the industrial blow-and-blow process conditions. In parallel of this work, a special interface element is implemented in a commercial Finite Element code in order to deal with heat transfer between glass and mould for non-meshing meshes and evolutive contact. This special interface element, implemented by using user subroutines, permits to introduce the previous heat transfer coefficient evolutions in the numerical modelings at the glass/mould interface in function of the local temperatures, contact pressures, contact time and kind of lubrication. The blow-and-blow forming simulation of a perfume bottle is finally performed to assess the special interface element performance.

Two-dimensional analytic weighting functions for limb scattering

NASA Astrophysics Data System (ADS)

Zawada, D. J.; Bourassa, A. E.; Degenstein, D. A.

2017-10-01

Through the inversion of limb scatter measurements it is possible to obtain vertical profiles of trace species in the atmosphere. Many of these inversion methods require what is often referred to as weighting functions, or derivatives of the radiance with respect to concentrations of trace species in the atmosphere. Several radiative transfer models have implemented analytic methods to calculate weighting functions, alleviating the computational burden of traditional numerical perturbation methods. Here we describe the implementation of analytic two-dimensional weighting functions, where derivatives are calculated relative to atmospheric constituents in a two-dimensional grid of altitude and angle along the line of sight direction, in the SASKTRAN-HR radiative transfer model. Two-dimensional weighting functions are required for two-dimensional inversions of limb scatter measurements. Examples are presented where the analytic two-dimensional weighting functions are calculated with an underlying one-dimensional atmosphere. It is shown that the analytic weighting functions are more accurate than ones calculated with a single scatter approximation, and are orders of magnitude faster than a typical perturbation method. Evidence is presented that weighting functions for stratospheric aerosols calculated under a single scatter approximation may not be suitable for use in retrieval algorithms under solar backscatter conditions.

The radiometric characteristics of KOMPSAT-3A by using reference radiometric tarps and ground measurement

NASA Astrophysics Data System (ADS)

Yeom, Jong-Min

2016-09-01

In this study, we performed the vicarious radiometric calibration of KOMPSAT-3A multispectral bands by using 6S radiative transfer model, radiometric tarps, MFRSR measurements. Furthermore, to prepare the accurate input parameter, we also did experiment work to measure the BRDF of radiometric tarps based on hyperspectral gonioradiometer to compensate the observation geometry difference between satellite and ASD Fieldspec 3. Also, we measured point spread function (PSF) by using the bright star and corrected multispectral bands based on the Wiener filter. For accurate atmospheric constituent effects such as aerosol optical depth, column water, and total ozone, we used MFRSR instrument and estimated related optical depth of each gases. Based on input parameters for 6S radiative transfer model, we simulated top of atmosphere (TOA) radiance by observed by KOMPSAT-3A and matched-up the digital number. Consequently, DN to radiance coefficients was determined based on aforementioned methods and showed reasonable statistics results.

Radiative heat transfer in strongly forward scattering media using the discrete ordinates method

NASA Astrophysics Data System (ADS)

Granate, Pedro; Coelho, Pedro J.; Roger, Maxime

2016-03-01

The discrete ordinates method (DOM) is widely used to solve the radiative transfer equation, often yielding satisfactory results. However, in the presence of strongly forward scattering media, this method does not generally conserve the scattering energy and the phase function asymmetry factor. Because of this, the normalization of the phase function has been proposed to guarantee that the scattering energy and the asymmetry factor are conserved. Various authors have used different normalization techniques. Three of these are compared in the present work, along with two other methods, one based on the finite volume method (FVM) and another one based on the spherical harmonics discrete ordinates method (SHDOM). In addition, the approximation of the Henyey-Greenstein phase function by a different one is investigated as an alternative to the phase function normalization. The approximate phase function is given by the sum of a Dirac delta function, which accounts for the forward scattering peak, and a smoother scaled phase function. In this study, these techniques are applied to three scalar radiative transfer test cases, namely a three-dimensional cubic domain with a purely scattering medium, an axisymmetric cylindrical enclosure containing an emitting-absorbing-scattering medium, and a three-dimensional transient problem with collimated irradiation. The present results show that accurate predictions are achieved for strongly forward scattering media when the phase function is normalized in such a way that both the scattered energy and the phase function asymmetry factor are conserved. The normalization of the phase function may be avoided using the FVM or the SHDOM to evaluate the in-scattering term of the radiative transfer equation. Both methods yield results whose accuracy is similar to that obtained using the DOM along with normalization of the phase function. Very satisfactory predictions were also achieved using the delta-M phase function, while the delta-Eddington phase function and the transport approximation may perform poorly.

Temperature and frequency dependence of anelasticity in a nickel oscillator

NASA Astrophysics Data System (ADS)

Berg, Robert F.

1995-09-01

The frequency dependence of the real and imaginary parts of a nickel oscillator's transfer function is described over 3 decades in frequency by the use of simple expressions. These expressions incorporate only the resonance frequency ω0, the quality factor Q, and a characteristic exponent β determined by a single measurement of creep. They are based on the ansatz φ(ω)=Q-1(ω/ω0)-β, where φ is the imaginary part of the spring constant. Over a 100 K range of temperature T, the exponent β≂0.18 was constant even though Q(T) changed by a factor of 8. These expressions are potentially useful for accurately describing a mechanical oscillator whose transfer function must be modeled at frequencies far below ω0. Examples include accelerometers based on a flexure element and suspensions for interferometric gravitational wave detectors.

Geodesic Distance Algorithm for Extracting the Ascending Aorta from 3D CT Images

PubMed Central

Jang, Yeonggul; Jung, Ho Yub; Hong, Youngtaek; Cho, Iksung; Shim, Hackjoon; Chang, Hyuk-Jae

2016-01-01

This paper presents a method for the automatic 3D segmentation of the ascending aorta from coronary computed tomography angiography (CCTA). The segmentation is performed in three steps. First, the initial seed points are selected by minimizing a newly proposed energy function across the Hough circles. Second, the ascending aorta is segmented by geodesic distance transformation. Third, the seed points are effectively transferred through the next axial slice by a novel transfer function. Experiments are performed using a database composed of 10 patients' CCTA images. For the experiment, the ground truths are annotated manually on the axial image slices by a medical expert. A comparative evaluation with state-of-the-art commercial aorta segmentation algorithms shows that our approach is computationally more efficient and accurate under the DSC (Dice Similarity Coefficient) measurements. PMID:26904151

Temporal modulation transfer functions for listeners with real and simulated hearing loss

PubMed Central

Desloge, Joseph G.; Reed, Charlotte M.; Braida, Louis D.; Perez, Zachary D.; Delhorne, Lorraine A.

2011-01-01

A functional simulation of hearing loss was evaluated in its ability to reproduce the temporal modulation transfer functions (TMTFs) for nine listeners with mild to profound sensorineural hearing loss. Each hearing loss was simulated in a group of three age-matched normal-hearing listeners through spectrally shaped masking noise or a combination of masking noise and multiband expansion. TMTFs were measured for both groups of listeners using a broadband noise carrier as a function of modulation rate in the range 2 to 1024 Hz. The TMTFs were fit with a lowpass filter function that provided estimates of overall modulation-depth sensitivity and modulation cutoff frequency. Although the simulations were capable of accurately reproducing the threshold elevations of the hearing-impaired listeners, they were not successful in reproducing the TMTFs. On average, the simulations resulted in lower sensitivity and higher cutoff frequency than were observed in the TMTFs of the hearing-impaired listeners. Discrepancies in performance between listeners with real and simulated hearing loss are possibly related to inaccuracies in the simulation of recruitment. PMID:21682411

Calculation and validation of heat transfer coefficient for warm forming operations

NASA Astrophysics Data System (ADS)

Omer, Kaab; Butcher, Clifford; Worswick, Michael

2017-10-01

In an effort to reduce the weight of their products, the automotive industry is exploring various hot forming and warm forming technologies. One critical aspect in these technologies is understanding and quantifying the heat transfer between the blank and the tooling. The purpose of the current study is twofold. First, an experimental procedure to obtain the heat transfer coefficient (HTC) as a function of pressure for the purposes of a metal forming simulation is devised. The experimental approach was used in conjunction with finite element models to obtain HTC values as a function of die pressure. The materials that were characterized were AA5182-O and AA7075-T6. Both the heating operation and warm forming deep draw were modelled using the LS-DYNA commercial finite element code. Temperature-time measurements were obtained from both applications. The results of the finite element model showed that the experimentally derived HTC values were able to predict the temperature-time history to within a 2% of the measured response. It is intended that the HTC values presented herein can be used in warm forming models in order to accurately capture the heat transfer characteristics of the operation.

Modeling of Atmospheric Turbulence as Disturbances for Control Design and Evaluation of High Speed Propulsion Systems

NASA Technical Reports Server (NTRS)

Kopasakis, George

2010-01-01

Atmospheric turbulence models are necessary for the design of both inlet/engine and flight controls, as well as for studying integrated couplings between the propulsion and the vehicle structural dynamics for supersonic vehicles. Models based on the Kolmogorov spectrum have been previously utilized to model atmospheric turbulence. In this paper, a more accurate model is developed in its representative fractional order form, typical of atmospheric disturbances. This is accomplished by first scaling the Kolmogorov spectral to convert them into finite energy von Karman forms. Then a generalized formulation is developed in frequency domain for these scale models that approximates the fractional order with the products of first order transfer functions. Given the parameters describing the conditions of atmospheric disturbances and utilizing the derived formulations, the objective is to directly compute the transfer functions that describe these disturbances for acoustic velocity, temperature, pressure and density. Utilizing these computed transfer functions and choosing the disturbance frequencies of interest, time domain simulations of these representative atmospheric turbulences can be developed. These disturbance representations are then used to first develop considerations for disturbance rejection specifications for the design of the propulsion control system, and then to evaluate the closed-loop performance.

Momentum and energy dependent resolution function of the ARCS neutron chopper spectrometer at high momentum transfer: Comparing simulation and experiment

NASA Astrophysics Data System (ADS)

Diallo, S. O.; Lin, J. Y. Y.; Abernathy, D. L.; Azuah, R. T.

2016-11-01

Inelastic neutron scattering at high momentum transfers (i.e. Q ≥ 20 A ˚), commonly known as deep inelastic neutron scattering (DINS), provides direct observation of the momentum distribution of light atoms, making it a powerful probe for studying single-particle motions in liquids and solids. The quantitative analysis of DINS data requires an accurate knowledge of the instrument resolution function Ri(Q , E) at each momentum Q and energy transfer E, where the label i indicates whether the resolution was experimentally observed i = obs or simulated i=sim. Here, we describe two independent methods for determining the total resolution function Ri(Q , E) of the ARCS neutron instrument at the Spallation Neutron Source, Oak Ridge National Laboratory. The first method uses experimental data from an archetypical system (liquid 4He) studied with DINS, which are then numerically deconvoluted using its previously determined intrinsic scattering function to yield Robs(Q , E). The second approach uses accurate Monte Carlo simulations of the ARCS spectrometer, which account for all instrument contributions, coupled to a representative scattering kernel to reproduce the experimentally observed response S(Q , E). Using a delta function as scattering kernel, the simulation yields a resolution function Rsim(Q , E) with comparable lineshape and features as Robs(Q , E), but somewhat narrower due to the ideal nature of the model. Using each of these two Ri(Q , E) separately, we extract characteristic parameters of liquid 4He such as the intrinsic linewidth α2 (which sets the atomic kinetic energy 〈 K 〉 ∼α2) in the normal liquid and the Bose-Einstein condensate parameter n0 in the superfluid phase. The extracted α2 values agree well with previous measurements at saturated vapor pressure (SVP) as well as at elevated pressure (24 bars) within experimental precision, independent of which Ri(Q , y) is used to analyze the data. The actual observed n0 values at each Q vary little with the model Ri(Q , E), and the effective Q-averaged n0 values are consistent with each other, and with previously reported values.

Generation of a Combined Dataset of Simulated Radar and Electro-Optical Imagery

DTIC Science & Technology

2005-10-05

directional reflectance distribution function (BRDF) predictions and the geometry of a line scanner. Using programs such as MODTRAN and FASCODE, images can be...DIRSIG tries to accurately model scenes through various approaches that model real- world occurrences. MODTRAN is an atmospheric radiative transfer code...used to predict path transmissions and radiances within the atmosphere (DIRSIG Manual, 2004). FASCODE is similar to MODTRAN , however it works as a

Modeling radiative transfer with the doubling and adding approach in a climate GCM setting

NASA Astrophysics Data System (ADS)

Lacis, A. A.

2017-12-01

The nonlinear dependence of multiply scattered radiation on particle size, optical depth, and solar zenith angle, makes accurate treatment of multiple scattering in the climate GCM setting problematic, due primarily to computational cost issues. In regard to the accurate methods of calculating multiple scattering that are available, their computational cost is far too prohibitive for climate GCM applications. Utilization of two-stream-type radiative transfer approximations may be computationally fast enough, but at the cost of reduced accuracy. We describe here a parameterization of the doubling/adding method that is being used in the GISS climate GCM, which is an adaptation of the doubling/adding formalism configured to operate with a look-up table utilizing a single gauss quadrature point with an extra-angle formulation. It is designed to closely reproduce the accuracy of full-angle doubling and adding for the multiple scattering effects of clouds and aerosols in a realistic atmosphere as a function of particle size, optical depth, and solar zenith angle. With an additional inverse look-up table, this single-gauss-point doubling/adding approach can be adapted to model fractional cloud cover for any GCM grid-box in the independent pixel approximation as a function of the fractional cloud particle sizes, optical depths, and solar zenith angle dependence.

Equilibrium-point control of human elbow-joint movement under isometric environment by using multichannel functional electrical stimulation

PubMed Central

Matsui, Kazuhiro; Hishii, Yasuo; Maegaki, Kazuya; Yamashita, Yuto; Uemura, Mitsunori; Hirai, Hiroaki; Miyazaki, Fumio

2014-01-01

Functional electrical stimulation (FES) is considered an effective technique for aiding quadriplegic persons. However, the human musculoskeletal system has highly non-linearity and redundancy. It is thus difficult to stably and accurately control limbs using FES. In this paper, we propose a simple FES method that is consistent with the motion-control mechanism observed in humans. We focus on joint motion by a pair of agonist-antagonist muscles of the musculoskeletal system, and define the “electrical agonist-antagonist muscle ratio (EAA ratio)” and “electrical agonist-antagonist muscle activity (EAA activity)” in light of the agonist-antagonist muscle ratio and agonist-antagonist muscle activity, respectively, to extract the equilibrium point and joint stiffness from electromyography (EMG) signals. These notions, the agonist-antagonist muscle ratio and agonist-antagonist muscle activity, are based on the hypothesis that the equilibrium point and stiffness of the agonist-antagonist motion system are controlled by the central nervous system. We derived the transfer function between the input EAA ratio and force output of the end-point. We performed some experiments in an isometric environment using six subjects. This transfer-function model is expressed as a cascade-coupled dead time element and a second-order system. High-speed, high-precision, smooth control of the hand force were achieved through the agonist-antagonist muscle stimulation pattern determined by this transfer function model. PMID:24987326

Equilibrium-point control of human elbow-joint movement under isometric environment by using multichannel functional electrical stimulation.

PubMed

Matsui, Kazuhiro; Hishii, Yasuo; Maegaki, Kazuya; Yamashita, Yuto; Uemura, Mitsunori; Hirai, Hiroaki; Miyazaki, Fumio

2014-01-01

Functional electrical stimulation (FES) is considered an effective technique for aiding quadriplegic persons. However, the human musculoskeletal system has highly non-linearity and redundancy. It is thus difficult to stably and accurately control limbs using FES. In this paper, we propose a simple FES method that is consistent with the motion-control mechanism observed in humans. We focus on joint motion by a pair of agonist-antagonist muscles of the musculoskeletal system, and define the "electrical agonist-antagonist muscle ratio (EAA ratio)" and "electrical agonist-antagonist muscle activity (EAA activity)" in light of the agonist-antagonist muscle ratio and agonist-antagonist muscle activity, respectively, to extract the equilibrium point and joint stiffness from electromyography (EMG) signals. These notions, the agonist-antagonist muscle ratio and agonist-antagonist muscle activity, are based on the hypothesis that the equilibrium point and stiffness of the agonist-antagonist motion system are controlled by the central nervous system. We derived the transfer function between the input EAA ratio and force output of the end-point. We performed some experiments in an isometric environment using six subjects. This transfer-function model is expressed as a cascade-coupled dead time element and a second-order system. High-speed, high-precision, smooth control of the hand force were achieved through the agonist-antagonist muscle stimulation pattern determined by this transfer function model.

Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.

PubMed

Heinen, Jurn; Burtch, Nicholas C; Walton, Krista S; Fonseca Guerra, Célia; Dubbeldam, David

2016-12-12

For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor-acceptor interactions. Using a density-function-theory-based energy decomposition scheme, we develop a physically justifiable classical force field that incorporates the missing orbital interactions using an appropriate functional form. Our first-principles derived force field shows greatly improved quantitative agreement with the inflection points, initial uptake, saturation capacity, and enthalpies of adsorption obtained from our in-house adsorption experiments. While IAST fails to make accurate predictions, our improved force field model is able to correctly predict the multicomponent behavior. Our approach is also transferable to other OMS structures, allowing the accurate study of their separation performances for olefins/paraffins and further mixtures involving complex donor-acceptor interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Conic state extrapolation. [computer program for space shuttle navigation and guidance requirements

NASA Technical Reports Server (NTRS)

Shepperd, S. W.; Robertson, W. M.

1973-01-01

The Conic State Extrapolation Routine provides the capability to conically extrapolate any spacecraft inertial state vector either backwards or forwards as a function of time or as a function of transfer angle. It is merely the coded form of two versions of the solution of the two-body differential equations of motion of the spacecraft center of mass. Because of its relatively fast computation speed and moderate accuracy, it serves as a preliminary navigation tool and as a method of obtaining quick solutions for targeting and guidance functions. More accurate (but slower) results are provided by the Precision State Extrapolation Routine.

Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.

PubMed

Yang, Yang; Culpitt, Tanner; Hammes-Schiffer, Sharon

2018-04-05

The quantum mechanical treatment of both electrons and protons in the calculation of excited state properties is critical for describing nonadiabatic processes such as photoinduced proton-coupled electron transfer. Multicomponent density functional theory enables the consistent quantum mechanical treatment of more than one type of particle and has been implemented previously for studying ground state molecular properties within the nuclear-electronic orbital (NEO) framework, where all electrons and specified protons are treated quantum mechanically. To enable the study of excited state molecular properties, herein the linear response multicomponent time-dependent density functional theory (TDDFT) is derived and implemented within the NEO framework. Initial applications to FHF - and HCN illustrate that NEO-TDDFT provides accurate proton and electron excitation energies within a single calculation. As its computational cost is similar to that of conventional electronic TDDFT, the NEO-TDDFT approach is promising for diverse applications, particularly nonadiabatic proton transfer reactions, which may exhibit mixed electron-proton vibronic excitations.

GW-BSE approach on S1 vertical transition energy of large charge transfer compounds: A performance assessment.

PubMed

Ziaei, Vafa; Bredow, Thomas

2016-11-07

In this work, we apply many-body perturbation theory (MBPT) on large critical charge transfer (CT) complexes to assess its performance on the S 1 excitation energy. Since the S 1 energy of CT compounds is heavily dependent on the Hartree-Fock (HF) exchange fraction in the reference density functional, MBPT opens a new way for reliable prediction of CT S 1 energy without explicit knowledge of suitable amount of HF-exchange, in contrary to the time-dependent density functional theory (TD-DFT), where depending on various functionals, large errors can arise. Thus, simply by starting from a (semi-)local reference functional and performing update of Kohn-Sham (KS) energies in the Green's function G while keeping dynamical screened interaction (W(ω)) frozen to the mean-field level, we obtain impressingly highly accurate S 1 energy at slightly higher computational cost in comparison to TD-DFT. However, this energy-only updating mechanism in G fails to work if the initial guess contains a fraction or 100% HF-exchange, and hence considerably inaccurate S 1 energy is predicted. Furthermore, eigenvalue updating both in G and W(ω) overshoots the S 1 energy due to enhanced underscreening of W(ω), independent of the (hybrid-)DFT starting orbitals. A full energy-update on top of HF orbitals even further overestimates the S 1 energy. An additional update of KS wave functions within the Quasi-Particle Self-Consistent GW (QSGW) deteriorates results, in stark contrast to the good results obtained from QSGW for periodic systems. For the sake of transferability, we further present data of small critical non-charge transfer systems, confirming the outcomes of the CT-systems.

Analytical Models of Exoplanetary Atmospheres. IV. Improved Two-stream Radiative Transfer for the Treatment of Aerosols

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

Heng, Kevin; Kitzmann, Daniel, E-mail: kevin.heng@csh.unibe.ch, E-mail: daniel.kitzmann@csh.unibe.ch

We present a novel generalization of the two-stream method of radiative transfer, which allows for the accurate treatment of radiative transfer in the presence of strong infrared scattering by aerosols. We prove that this generalization involves only a simple modification of the coupling coefficients and transmission functions in the hemispheric two-stream method. This modification originates from allowing the ratio of the first Eddington coefficients to depart from unity. At the heart of the method is the fact that this ratio may be computed once and for all over the entire range of values of the single-scattering albedo and scattering asymmetrymore » factor. We benchmark our improved two-stream method by calculating the fraction of flux reflected by a single atmospheric layer (the reflectivity) and comparing these calculations to those performed using a 32-stream discrete-ordinates method. We further compare our improved two-stream method to the two-stream source function (16 streams) and delta-Eddington methods, demonstrating that it is often more accurate at the order-of-magnitude level. Finally, we illustrate its accuracy using a toy model of the early Martian atmosphere hosting a cloud layer composed of carbon dioxide ice particles. The simplicity of implementation and accuracy of our improved two-stream method renders it suitable for implementation in three-dimensional general circulation models. In other words, our improved two-stream method has the ease of implementation of a standard two-stream method, but the accuracy of a 32-stream method.« less

Digital simulation of scalar optical diffraction: revisiting chirp function sampling criteria and consequences.

PubMed

Voelz, David G; Roggemann, Michael C

2009-11-10

Accurate simulation of scalar optical diffraction requires consideration of the sampling requirement for the phase chirp function that appears in the Fresnel diffraction expression. We describe three sampling regimes for FFT-based propagation approaches: ideally sampled, oversampled, and undersampled. Ideal sampling, where the chirp and its FFT both have values that match analytic chirp expressions, usually provides the most accurate results but can be difficult to realize in practical simulations. Under- or oversampling leads to a reduction in the available source plane support size, the available source bandwidth, or the available observation support size, depending on the approach and simulation scenario. We discuss three Fresnel propagation approaches: the impulse response/transfer function (angular spectrum) method, the single FFT (direct) method, and the two-step method. With illustrations and simulation examples we show the form of the sampled chirp functions and their discrete transforms, common relationships between the three methods under ideal sampling conditions, and define conditions and consequences to be considered when using nonideal sampling. The analysis is extended to describe the sampling limitations for the more exact Rayleigh-Sommerfeld diffraction solution.

Time-resolved stimulated emission depletion and energy transfer dynamics in two-photon excited EGFP.

PubMed

Masters, T A; Robinson, N A; Marsh, R J; Blacker, T S; Armoogum, D A; Larijani, B; Bain, A J

2018-04-07

Time and polarization-resolved stimulated emission depletion (STED) measurements are used to investigate excited state evolution following the two-photon excitation of enhanced green fluorescent protein (EGFP). We employ a new approach for the accurate STED measurement of the hitherto unmeasured degree of hexadecapolar transition dipole moment alignment α 40 present at a given excitation-depletion (pump-dump) pulse separation. Time-resolved polarized fluorescence measurements as a function of pump-dump delay reveal the time evolution of α 40 to be considerably more rapid than predicted for isotropic rotational diffusion in EGFP. Additional depolarization by homo-Förster resonance energy transfer is investigated for both α 20 (quadrupolar) and α 40 transition dipole alignments. These results point to the utility of higher order dipole correlation measurements in the investigation of resonance energy transfer processes.

RATT: Rapid Annotation Transfer Tool

PubMed Central

Otto, Thomas D.; Dillon, Gary P.; Degrave, Wim S.; Berriman, Matthew

2011-01-01

Second-generation sequencing technologies have made large-scale sequencing projects commonplace. However, making use of these datasets often requires gene function to be ascribed genome wide. Although tool development has kept pace with the changes in sequence production, for tasks such as mapping, de novo assembly or visualization, genome annotation remains a challenge. We have developed a method to rapidly provide accurate annotation for new genomes using previously annotated genomes as a reference. The method, implemented in a tool called RATT (Rapid Annotation Transfer Tool), transfers annotations from a high-quality reference to a new genome on the basis of conserved synteny. We demonstrate that a Mycobacterium tuberculosis genome or a single 2.5 Mb chromosome from a malaria parasite can be annotated in less than five minutes with only modest computational resources. RATT is available at http://ratt.sourceforge.net. PMID:21306991

Condensation heat transfer correlation for water-ethanol vapor mixture flowing through a plate heat exchanger

NASA Astrophysics Data System (ADS)

Zhou, Weiqing; Hu, Shenhua; Ma, Xiangrong; Zhou, Feng

2018-04-01

Condensation heat transfer coefficient (HTC) as a function of outlet vapor quality was investigated using water-ethanol vapor mixture of different ethanol vapor concentrations (0%, 1%, 2%, 5%, 10%, 20%) under three different system pressures (31 kPa, 47 kPa, 83 kPa). A heat transfer coefficient was developed by applying multiple linear regression method to experimental data, taking into account the dimensionless numbers which represents the Marangoni condensation effects, such as Re, Pr, Ja, Ma and Sh. The developed correlation can predict the condensation performance within a deviation range from -22% to 32%. Taking PHE's characteristic into consideration and bringing in Ma number and Sh number, a new correlation was developed, which showed a much more accurate prediction, within a deviation from -3.2% to 7.9%.

New device for accurate measurement of the x-ray intensity distribution of x-ray tube focal spots.

PubMed

Doi, K; Fromes, B; Rossmann, K

1975-01-01

A new device has been developed with which the focal spot distribution can be measured accurately. The alignment and localization of the focal spot relative to the device are accomplished by adjustment of three micrometer screws in three orthogonal directions and by comparison of red reference light spots with green fluorescent pinhole images at five locations. The standard deviations for evaluating the reproducibility of the adjustments in the horizontal and vertical directions were 0.2 and 0.5 mm, respectively. Measurements were made of the pinhole images as well as of the line-spread functions (LSFs) and modulation transfer functions (MTFs) for an x-ray tube with focal spots of 1-mm and 50-mum nominal size. The standard deviations for the LSF and MTF of the 1-mm focal spot were 0.017 and 0.010, respectively.

Electrostatic potential map modelling with COSY Infinity

NASA Astrophysics Data System (ADS)

Maloney, J. A.; Baartman, R.; Planche, T.; Saminathan, S.

2016-06-01

COSY Infinity (Makino and Berz, 2005) is a differential-algebra based simulation code which allows accurate calculation of transfer maps to arbitrary order. COSY's existing internal procedures were modified to allow electrostatic elements to be specified using an array of field potential data from the midplane. Additionally, a new procedure was created allowing electrostatic elements and their fringe fields to be specified by an analytic function. This allows greater flexibility in accurately modelling electrostatic elements and their fringe fields. Applied examples of these new procedures are presented including the modelling of a shunted electrostatic multipole designed with OPERA, a spherical electrostatic bender, and the effects of different shaped apertures in an electrostatic beam line.

Intuitive Density Functional Theory-Based Energy Decomposition Analysis for Protein-Ligand Interactions.

PubMed

Phipps, M J S; Fox, T; Tautermann, C S; Skylaris, C-K

2017-04-11

First-principles quantum mechanical calculations with methods such as density functional theory (DFT) allow the accurate calculation of interaction energies between molecules. These interaction energies can be dissected into chemically relevant components such as electrostatics, polarization, and charge transfer using energy decomposition analysis (EDA) approaches. Typically EDA has been used to study interactions between small molecules; however, it has great potential to be applied to large biomolecular assemblies such as protein-protein and protein-ligand interactions. We present an application of EDA calculations to the study of ligands that bind to the thrombin protein, using the ONETEP program for linear-scaling DFT calculations. Our approach goes beyond simply providing the components of the interaction energy; we are also able to provide visual representations of the changes in density that happen as a result of polarization and charge transfer, thus pinpointing the functional groups between the ligand and protein that participate in each kind of interaction. We also demonstrate with this approach that we can focus on studying parts (fragments) of ligands. The method is relatively insensitive to the protocol that is used to prepare the structures, and the results obtained are therefore robust. This is an application to a real protein drug target of a whole new capability where accurate DFT calculations can produce both energetic and visual descriptors of interactions. These descriptors can be used to provide insights for tailoring interactions, as needed for example in drug design.

Improved Monitoring of Vegetation Productivity using Continuous Assimilation of Radiometric Data

NASA Astrophysics Data System (ADS)

Baret, F.; Lauvernet, C.; Weiss, M.; Prevot, L.; Rochdi, N.

Canopy functioning models describe crop production from meteorological and soil inputs. However, because of the large number of variables and parameters used, and the poor knowledge of the actual values of some of them, the time course of the canopy and thus final production simulated by these models is often not very accurate. Satellite observations sensors allow controlling the simulations through assimilation of the radiometric data within radiative transfer models coupled to canopy functioning models. An assimilation scheme is presented with application to wheat crops. The coupling between radiative transfer models and canopy functioning models is described. The assimilation scheme is then applied to an experiment achieved within the ReSeDA project. Several issues relative to the assimilation process are discussed. They concern the type of canopy functioning model used, the possibility to assimilate biophysical products rather than radiances, and the use of ancillary information. Further, considerations associated to the problems linked to high spatial and temporal resolution data are listed and illustrated by preliminary results acquired within the ADAM project. Further discussion is made on the required temporal sampling for space observations.

Surfactant enhanced recovery of tetrachloroethylene from a porous medium containing low permeability lenses. 2. Numerical simulation.

PubMed

Rathfelder, K M; Abriola, L M; Taylor, T P; Pennell, K D

2001-04-01

A numerical model of surfactant enhanced solubilization was developed and applied to the simulation of nonaqueous phase liquid recovery in two-dimensional heterogeneous laboratory sand tank systems. Model parameters were derived from independent, small-scale, batch and column experiments. These parameters included viscosity, density, solubilization capacity, surfactant sorption, interfacial tension, permeability, capillary retention functions, and interphase mass transfer correlations. Model predictive capability was assessed for the evaluation of the micellar solubilization of tetrachloroethylene (PCE) in the two-dimensional systems. Predicted effluent concentrations and mass recovery agreed reasonably well with measured values. Accurate prediction of enhanced solubilization behavior in the sand tanks was found to require the incorporation of pore-scale, system-dependent, interphase mass transfer limitations, including an explicit representation of specific interfacial contact area. Predicted effluent concentrations and mass recovery were also found to depend strongly upon the initial NAPL entrapment configuration. Numerical results collectively indicate that enhanced solubilization processes in heterogeneous, laboratory sand tank systems can be successfully simulated using independently measured soil parameters and column-measured mass transfer coefficients, provided that permeability and NAPL distributions are accurately known. This implies that the accuracy of model predictions at the field scale will be constrained by our ability to quantify soil heterogeneity and NAPL distribution.

Optimizing an Actuator Array for the Control of Multi-Frequency Noise in Aircraft Interiors

NASA Technical Reports Server (NTRS)

Palumbo, D. L.; Padula, S. L.

1997-01-01

Techniques developed for selecting an optimized actuator array for interior noise reduction at a single frequency are extended to the multi-frequency case. Transfer functions for 64 actuators were obtained at 5 frequencies from ground testing the rear section of a fully trimmed DC-9 fuselage. A single loudspeaker facing the left side of the aircraft was the primary source. A combinatorial search procedure (tabu search) was employed to find optimum actuator subsets of from 2 to 16 actuators. Noise reduction predictions derived from the transfer functions were used as a basis for evaluating actuator subsets during optimization. Results indicate that it is necessary to constrain actuator forces during optimization. Unconstrained optimizations selected actuators which require unrealistically large forces. Two methods of constraint are evaluated. It is shown that a fast, but approximate, method yields results equivalent to an accurate, but computationally expensive, method.

Application of the sequential quadratic programming algorithm for reconstructing the distribution of optical parameters based on the time-domain radiative transfer equation.

PubMed

Qi, Hong; Qiao, Yao-Bin; Ren, Ya-Tao; Shi, Jing-Wen; Zhang, Ze-Yu; Ruan, Li-Ming

2016-10-17

Sequential quadratic programming (SQP) is used as an optimization algorithm to reconstruct the optical parameters based on the time-domain radiative transfer equation (TD-RTE). Numerous time-resolved measurement signals are obtained using the TD-RTE as forward model. For a high computational efficiency, the gradient of objective function is calculated using an adjoint equation technique. SQP algorithm is employed to solve the inverse problem and the regularization term based on the generalized Gaussian Markov random field (GGMRF) model is used to overcome the ill-posed problem. Simulated results show that the proposed reconstruction scheme performs efficiently and accurately.

Locating CVBEM collocation points for steady state heat transfer problems

USGS Publications Warehouse

Hromadka, T.V.

1985-01-01

The Complex Variable Boundary Element Method or CVBEM provides a highly accurate means of developing numerical solutions to steady state two-dimensional heat transfer problems. The numerical approach exactly solves the Laplace equation and satisfies the boundary conditions at specified points on the boundary by means of collocation. The accuracy of the approximation depends upon the nodal point distribution specified by the numerical analyst. In order to develop subsequent, refined approximation functions, four techniques for selecting additional collocation points are presented. The techniques are compared as to the governing theory, representation of the error of approximation on the problem boundary, the computational costs, and the ease of use by the numerical analyst. ?? 1985.

An explicit canopy BRDF model and inversion. [Bidirectional Reflectance Distribution Function

NASA Technical Reports Server (NTRS)

Liang, Shunlin; Strahler, Alan H.

1992-01-01

Based on a rigorous canopy radiative transfer equation, the multiple scattering radiance is approximated by the asymptotic theory, and the single scattering radiance calculation, which requires an numerical intergration due to considering the hotspot effect, is simplified. A new formulation is presented to obtain more exact angular dependence of the sky radiance distribution. The unscattered solar radiance and single scattering radiance are calculated exactly, and the multiple scattering is approximated by the delta two-stream atmospheric radiative transfer model. The numerical algorithms prove that the parametric canopy model is very accurate, especially when the viewing angles are smaller than 55 deg. The Powell algorithm is used to retrieve biospheric parameters from the ground measured multiangle observations.

Parturition prediction and timing of canine pregnancy

PubMed Central

Kim, YeunHee; Travis, Alexander J.; Meyers-Wallen, Vicki N.

2007-01-01

An accurate method of predicting the date of parturition in the bitch is clinically useful to minimize or prevent reproductive losses by timely intervention. Similarly, an accurate method of timing canine ovulation and gestation is critical for development of assisted reproductive technologies, e.g. estrous synchronization and embryo transfer. This review discusses present methods for accurately timing canine gestational age and outlines their use in clinical management of high-risk pregnancies and embryo transfer research. PMID:17904630

Autonomous Frequency Domain Identification: Theory and Experiment

DTIC Science & Technology

1989-04-15

4,4,3)). This approach is particularly well suited to provide accurate estimation using sampled-data -3 DO 2 ^ UJ H « > x 2 ^ ui M (d 5 -P m...criteria for resonance requires a unimodal search. Search strategies such as golden search, Fibonacci search etc. are well known and can be found for...identified nonparametrically and a frequency domain de - scription is available, a parametric representation of the transfer function can be found by

Improvements to Fidelity, Generation and Implementation of Physics-Based Lithium-Ion Reduced-Order Models

NASA Astrophysics Data System (ADS)

Rodriguez Marco, Albert

Battery management systems (BMS) require computationally simple but highly accurate models of the battery cells they are monitoring and controlling. Historically, empirical equivalent-circuit models have been used, but increasingly researchers are focusing their attention on physics-based models due to their greater predictive capabilities. These models are of high intrinsic computational complexity and so must undergo some kind of order-reduction process to make their use by a BMS feasible: we favor methods based on a transfer-function approach of battery cell dynamics. In prior works, transfer functions have been found from full-order PDE models via two simplifying assumptions: (1) a linearization assumption--which is a fundamental necessity in order to make transfer functions--and (2) an assumption made out of expedience that decouples the electrolyte-potential and electrolyte-concentration PDEs in order to render an approach to solve for the transfer functions from the PDEs. This dissertation improves the fidelity of physics-based models by eliminating the need for the second assumption and, by linearizing nonlinear dynamics around different constant currents. Electrochemical transfer functions are infinite-order and cannot be expressed as a ratio of polynomials in the Laplace variable s. Thus, for practical use, these systems need to be approximated using reduced-order models that capture the most significant dynamics. This dissertation improves the generation of physics-based reduced-order models by introducing different realization algorithms, which produce a low-order model from the infinite-order electrochemical transfer functions. Physics-based reduced-order models are linear and describe cell dynamics if operated near the setpoint at which they have been generated. Hence, multiple physics-based reduced-order models need to be generated at different setpoints (i.e., state-of-charge, temperature and C-rate) in order to extend the cell operating range. This dissertation improves the implementation of physics-based reduced-order models by introducing different blending approaches that combine the pre-computed models generated (offline) at different setpoints in order to produce good electrochemical estimates (online) along the cell state-of-charge, temperature and C-rate range.

Uncertainty Analysis on Heat Transfer Correlations for RP-1 Fuel in Copper Tubing

NASA Technical Reports Server (NTRS)

Driscoll, E. A.; Landrum, D. B.

2004-01-01

NASA is studying kerosene (RP-1) for application in Next Generation Launch Technology (NGLT). Accurate heat transfer correlations in narrow passages at high temperatures and pressures are needed. Hydrocarbon fuels, such as RP-1, produce carbon deposition (coke) along the inside of tube walls when heated to high temperatures. A series of tests to measure the heat transfer using RP-1 fuel and examine the coking were performed in NASA Glenn Research Center's Heated Tube Facility. The facility models regenerative cooling by flowing room temperature RP-1 through resistively heated copper tubing. A Regression analysis is performed on the data to determine the heat transfer correlation for Nusselt number as a function of Reynolds and Prandtl numbers. Each measurement and calculation is analyzed to identify sources of uncertainty, including RP-1 property variations. Monte Carlo simulation is used to determine how each uncertainty source propagates through the regression and an overall uncertainty in predicted heat transfer coefficient. The implications of these uncertainties on engine design and ways to minimize existing uncertainties are discussed.

Integration Of Heat Transfer Coefficient In Glass Forming Modeling With Special Interface Element

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

Moreau, P.; Gregoire, S.; Lochegnies, D.

2007-05-17

Numerical modeling of the glass forming processes requires the accurate knowledge of the heat exchange between the glass and the forming tools. A laboratory testing is developed to determine the evolution of the heat transfer coefficient in different glass/mould contact conditions (contact pressure, temperature, lubrication...). In this paper, trials are performed to determine heat transfer coefficient evolutions in experimental conditions close to the industrial blow-and-blow process conditions. In parallel of this work, a special interface element is implemented in a commercial Finite Element code in order to deal with heat transfer between glass and mould for non-meshing meshes and evolutivemore » contact. This special interface element, implemented by using user subroutines, permits to introduce the previous heat transfer coefficient evolutions in the numerical modelings at the glass/mould interface in function of the local temperatures, contact pressures, contact time and kind of lubrication. The blow-and-blow forming simulation of a perfume bottle is finally performed to assess the special interface element performance.« less

Spectral collocation method with a flexible angular discretization scheme for radiative transfer in multi-layer graded index medium

NASA Astrophysics Data System (ADS)

Wei, Linyang; Qi, Hong; Sun, Jianping; Ren, Yatao; Ruan, Liming

2017-05-01

The spectral collocation method (SCM) is employed to solve the radiative transfer in multi-layer semitransparent medium with graded index. A new flexible angular discretization scheme is employed to discretize the solid angle domain freely to overcome the limit of the number of discrete radiative direction when adopting traditional SN discrete ordinate scheme. Three radial basis function interpolation approaches, named as multi-quadric (MQ), inverse multi-quadric (IMQ) and inverse quadratic (IQ) interpolation, are employed to couple the radiative intensity at the interface between two adjacent layers and numerical experiments show that MQ interpolation has the highest accuracy and best stability. Variable radiative transfer problems in double-layer semitransparent media with different thermophysical properties are investigated and the influence of these thermophysical properties on the radiative transfer procedure in double-layer semitransparent media is also analyzed. All the simulated results show that the present SCM with the new angular discretization scheme can predict the radiative transfer in multi-layer semitransparent medium with graded index efficiently and accurately.

FindPrimaryPairs: An efficient algorithm for predicting element-transferring reactant/product pairs in metabolic networks.

PubMed

Steffensen, Jon Lund; Dufault-Thompson, Keith; Zhang, Ying

2018-01-01

The metabolism of individual organisms and biological communities can be viewed as a network of metabolites connected to each other through chemical reactions. In metabolic networks, chemical reactions transform reactants into products, thereby transferring elements between these metabolites. Knowledge of how elements are transferred through reactant/product pairs allows for the identification of primary compound connections through a metabolic network. However, such information is not readily available and is often challenging to obtain for large reaction databases or genome-scale metabolic models. In this study, a new algorithm was developed for automatically predicting the element-transferring reactant/product pairs using the limited information available in the standard representation of metabolic networks. The algorithm demonstrated high efficiency in analyzing large datasets and provided accurate predictions when benchmarked with manually curated data. Applying the algorithm to the visualization of metabolic networks highlighted pathways of primary reactant/product connections and provided an organized view of element-transferring biochemical transformations. The algorithm was implemented as a new function in the open source software package PSAMM in the release v0.30 (https://zhanglab.github.io/psamm/).

Accurate high-throughput structure mapping and prediction with transition metal ion FRET

PubMed Central

Yu, Xiaozhen; Wu, Xiongwu; Bermejo, Guillermo A.; Brooks, Bernard R.; Taraska, Justin W.

2013-01-01

Mapping the landscape of a protein’s conformational space is essential to understanding its functions and regulation. The limitations of many structural methods have made this process challenging for most proteins. Here, we report that transition metal ion FRET (tmFRET) can be used in a rapid, highly parallel screen, to determine distances from multiple locations within a protein at extremely low concentrations. The distances generated through this screen for the protein Maltose Binding Protein (MBP) match distances from the crystal structure to within a few angstroms. Furthermore, energy transfer accurately detects structural changes during ligand binding. Finally, fluorescence-derived distances can be used to guide molecular simulations to find low energy states. Our results open the door to rapid, accurate mapping and prediction of protein structures at low concentrations, in large complex systems, and in living cells. PMID:23273426

Time-resolved stimulated emission depletion and energy transfer dynamics in two-photon excited EGFP

NASA Astrophysics Data System (ADS)

Masters, T. A.; Robinson, N. A.; Marsh, R. J.; Blacker, T. S.; Armoogum, D. A.; Larijani, B.; Bain, A. J.

2018-04-01

Time and polarization-resolved stimulated emission depletion (STED) measurements are used to investigate excited state evolution following the two-photon excitation of enhanced green fluorescent protein (EGFP). We employ a new approach for the accurate STED measurement of the hitherto unmeasured degree of hexadecapolar transition dipole moment alignment ⟨α40 ⟩ present at a given excitation-depletion (pump-dump) pulse separation. Time-resolved polarized fluorescence measurements as a function of pump-dump delay reveal the time evolution of ⟨α40 ⟩ to be considerably more rapid than predicted for isotropic rotational diffusion in EGFP. Additional depolarization by homo-Förster resonance energy transfer is investigated for both ⟨α20 ⟩ (quadrupolar) and ⟨α40 ⟩ transition dipole alignments. These results point to the utility of higher order dipole correlation measurements in the investigation of resonance energy transfer processes.

Neural network representation and learning of mappings and their derivatives

NASA Technical Reports Server (NTRS)

White, Halbert; Hornik, Kurt; Stinchcombe, Maxwell; Gallant, A. Ronald

1991-01-01

Discussed here are recent theorems proving that artificial neural networks are capable of approximating an arbitrary mapping and its derivatives as accurately as desired. This fact forms the basis for further results establishing the learnability of the desired approximations, using results from non-parametric statistics. These results have potential applications in robotics, chaotic dynamics, control, and sensitivity analysis. An example involving learning the transfer function and its derivatives for a chaotic map is discussed.

A fast iterative convolution weighting approach for gridding-based direct Fourier three-dimensional reconstruction with correction for the contrast transfer function.

PubMed

Abrishami, V; Bilbao-Castro, J R; Vargas, J; Marabini, R; Carazo, J M; Sorzano, C O S

2015-10-01

We describe a fast and accurate method for the reconstruction of macromolecular complexes from a set of projections. Direct Fourier inversion (in which the Fourier Slice Theorem plays a central role) is a solution for dealing with this inverse problem. Unfortunately, the set of projections provides a non-equidistantly sampled version of the macromolecule Fourier transform in the single particle field (and, therefore, a direct Fourier inversion) may not be an optimal solution. In this paper, we introduce a gridding-based direct Fourier method for the three-dimensional reconstruction approach that uses a weighting technique to compute a uniform sampled Fourier transform. Moreover, the contrast transfer function of the microscope, which is a limiting factor in pursuing a high resolution reconstruction, is corrected by the algorithm. Parallelization of this algorithm, both on threads and on multiple CPU's, makes the process of three-dimensional reconstruction even faster. The experimental results show that our proposed gridding-based direct Fourier reconstruction is slightly more accurate than similar existing methods and presents a lower computational complexity both in terms of time and memory, thereby allowing its use on larger volumes. The algorithm is fully implemented in the open-source Xmipp package and is downloadable from http://xmipp.cnb.csic.es. Copyright © 2015 Elsevier B.V. All rights reserved.

Molecular Structures and Momentum Transfer Cross Sections: The Influence of the Analyte Charge Distribution.

PubMed

Young, Meggie N; Bleiholder, Christian

2017-04-01

Structure elucidation by ion mobility spectrometry-mass spectrometry methods is based on the comparison of an experimentally measured momentum transfer cross-section to cross-sections calculated for model structures. Thus, it is imperative that the calculated cross-section must be accurate. However, it is not fully understood how important it is to accurately model the charge distribution of an analyte ion when calculating momentum transfer cross-sections. Here, we calculate and compare momentum transfer cross-sections for carbon clusters that differ in mass, charge state, and mode of charge distribution, and vary temperature and polarizability of the buffer gas. Our data indicate that the detailed distribution of the ion charge density is intimately linked to the contribution of glancing collisions to the momentum transfer cross-section. The data suggest that analyte ions with molecular mass ~3 kDa or momentum transfer cross-section 400-500 Å 2 would be significantly influenced by the charge distribution in nitrogen buffer gas. Our data further suggest that accurate structure elucidation on the basis of IMS-MS data measured in nitrogen buffer gas must account for the molecular charge distribution even for systems as large as C 960 (~12 kDa) when localized charges are present and/or measurements are conducted under cryogenic temperatures. Finally, our data underscore that accurate structure elucidation is unlikely if ion mobility data recorded in one buffer gas is converted into other buffer gases when electronic properties of the buffer gases differ. Graphical Abstract ᅟ.

[Effect of heat transfer in the packages on the stability of thiamine nitrate under uncontrolled temperature conditions].

PubMed

Nakamura, Toru; Yamaji, Takayuki; Takayama, Kozo

2013-01-01

To accurately predict the stability of thiamine nitrate as a model drug in pharmaceutical products under uncontrolled temperature conditions, the average reaction rate constant was determined, taking into account the heat transfer from the atmosphere to the product. The stability tests of thiamine nitrate in the three packages with different heat transfers were performed under non-isothermal conditions. The stability data observed were compared with the predictions based on a newly developed method, showing that the stability was well predicted by the method involving the heat transfer. By contrast, there were some deviations observed from the predicted data, without considering heat transfer in the packages with low heat transfer. The above-mentioned result clearly shows that heat transfer should be considered to ensure accurate prediction of the stability of commercial pharmaceutical products under non-isothermal atmospheres.

Advancing Absolute Calibration for JWST and Other Applications

NASA Astrophysics Data System (ADS)

Rieke, George; Bohlin, Ralph; Boyajian, Tabetha; Carey, Sean; Casagrande, Luca; Deustua, Susana; Gordon, Karl; Kraemer, Kathleen; Marengo, Massimo; Schlawin, Everett; Su, Kate; Sloan, Greg; Volk, Kevin

2017-10-01

We propose to exploit the unique optical stability of the Spitzer telescope, along with that of IRAC, to (1) transfer the accurate absolute calibration obtained with MSX on very bright stars directly to two reference stars within the dynamic range of the JWST imagers (and of other modern instrumentation); (2) establish a second accurate absolute calibration based on the absolutely calibrated spectrum of the sun, transferred onto the astronomical system via alpha Cen A; and (3) provide accurate infrared measurements for the 11 (of 15) highest priority stars with no such data but with accurate interferometrically measured diameters, allowing us to optimize determinations of effective temperatures using the infrared flux method and thus to extend the accurate absolute calibration spectrally. This program is integral to plans for an accurate absolute calibration of JWST and will also provide a valuable Spitzer legacy.

Charge-Transfer Analysis of 2p3d Resonant Inelastic X-ray Scattering of Cobalt Sulfide and Halides

PubMed Central

2017-01-01

We show that with 2p3d resonant inelastic X-ray scattering (RIXS) we can accurately determine the charge-transfer parameters of CoF2, CoCl2, CoBr2, and CoS. The 160 meV resolution RIXS results are compared with charge-transfer multiplet calculations. The improved resolution and the direct observation of the crystal field and charge-transfer excitations allow the determination of more accurate parameters than could be derived from X-ray absorption and X-ray photoemission, both limited in resolution by their lifetime broadening. We derive the crystal field and charge-transfer parameters of the Co2+ ions, which provides the nature of the ground state of the Co2+ ions with respect to symmetry and hybridization. In addition, the increased spectral resolution allows the more accurate determination of the atomic Slater integrals. The results show that the crystal field energy decreases with increasing ligand covalency. The L2 edge RIXS spectra show that the intensity of the (Coster–Kronig induced) nonresonant X-ray emission is a measure of ligand covalency. PMID:29170686

Analysis of longwave radiation for the Earth-atmosphere system

NASA Technical Reports Server (NTRS)

Tiwari, S. N.; Venuru, C. S.; Subramanian, S. V.

1983-01-01

Accurate radiative transfer models are used to determine the upwelling atmospheric radiance and net radiative flux in the entire longwave spectral range. The validity of the quasi-random band model is established by comparing the results of this model with those of line-by-line formulations and with available theoretical and experimental results. Existing radiative transfer models and computer codes are modified to include various surface and atmospheric effects (surface reflection, nonequilibrium radiation, and cloud effects). The program is used to evaluate the radiative flux in clear atmosphere, provide sensitivity analysis of upwelling radiance in the presence of clouds, and determine the effects of various climatological parameters on the upwelling radiation and anisotropic function. Homogeneous and nonhomogeneous gas emissivities can also be evaluated under different conditions.

Accurate B-spline-based 3-D interpolation scheme for digital volume correlation

NASA Astrophysics Data System (ADS)

Ren, Maodong; Liang, Jin; Wei, Bin

2016-12-01

An accurate and efficient 3-D interpolation scheme, based on sampling theorem and Fourier transform technique, is proposed to reduce the sub-voxel matching error caused by intensity interpolation bias in digital volume correlation. First, the influence factors of the interpolation bias are investigated theoretically using the transfer function of an interpolation filter (henceforth filter) in the Fourier domain. A law that the positional error of a filter can be expressed as a function of fractional position and wave number is found. Then, considering the above factors, an optimized B-spline-based recursive filter, combining B-spline transforms and least squares optimization method, is designed to virtually eliminate the interpolation bias in the process of sub-voxel matching. Besides, given each volumetric image containing different wave number ranges, a Gaussian weighting function is constructed to emphasize or suppress certain of wave number ranges based on the Fourier spectrum analysis. Finally, a novel software is developed and series of validation experiments were carried out to verify the proposed scheme. Experimental results show that the proposed scheme can reduce the interpolation bias to an acceptable level.

Energy Deposition and Escape Fluxes Induced by Energetic Solar Wind Ions and ENAs Precipitating into Mars Atmosphere: Accurate Consideration of Energy Transfer Collisions

NASA Astrophysics Data System (ADS)

Kharchenko, V. A.; Lewkow, N.; Gacesa, M.

2014-12-01

Formation and evolution of neutral fluxes of atoms and molecules escaping from the Mars atmosphere have been investigated for the sputtering and photo-chemical mechanisms. Energy and momentum transfer in collisions between the atmospheric gas and fast atoms and molecules have been considered using our recently obtained angular and energy dependent cross sections[1]. We have showed that accurate angular dependent collision cross sections are critical for the description of the energy relaxation of precipitating keV energetic ions/ENAs and for computations of altitude profiles of the fast atom and molecule production rates in recoil collisions. Upward and escape fluxes of the secondary energetic He and O atoms and H2, N2, CO and CO2 molecules, induced by precipitating ENAs, have been determined and their non-thermal energy distribution functions have been computed at different altitudes for different solar conditions. Precipitation and energy deposition of the energetic H2O molecules and products of their dissociations into the Mars atmosphere in the Comet C/2013 A1 (Siding Spring) - Mars interaction have been modeled using accurate cross sections. Reflection of precipitating ENAs by the Mars atmosphere has been analyzed in detail. [1] N. Lewkow and V. Kharchenko, "Precipitation of Energetic Neutral Atoms and Escape Fluxes induced from the Mars Atmosphere, ApJ, v.790, p.98 (2014).

17 CFR 240.17Ad-10 - Prompt posting of certificate detail to master securityholder files, maintenance of accurate...

Code of Federal Regulations, 2014 CFR

2014-04-01

... between co-transfer agents and recordkeeping transfer agents, maintenance of current control book...-transfer agents and recordkeeping transfer agents, maintenance of current control book, retention of certificate detail and “buy-in” of physical over-issuance. (a)(1) Every recordkeeping transfer agent shall...

Electronic structure and charge transfer excited states of endohedral fullerene containing electron donoracceptor complexes utilized in organic photovoltaics

NASA Astrophysics Data System (ADS)

Amerikheirabadi, Fatemeh

Organic Donor-Acceptor complexes form the main component of the organic photovoltaic devices (OPVs). The open circuit voltage of OPVs is directly related to the charge transfer excited state energies of these complexes. Currently a large number of different molecular complexes are being tested for their efficiency in photovoltaic devices. In this work, density functional theory as implemented in the NRLMOL code is used to investigate the electronic structure and related properties of these donor-acceptor complexes. The charge transfer excitation energies are calculated using the perturbative delta self-consistent field method recently developed in our group as the standard time dependent density functional approaches fail to accurately provide them. The model photovoltaics systems analyzed are as follows: Sc3N C 80--ZnTPP, Y3 N C80-- ZnTPP and Sc3 N C80-- ZnPc. In addition, a thorough analysis of the isolated donor and acceptor molecules is also provided. The studied acceptors are chosen from a class of fullerenes named trimetallic nitride endohedral fullerenes. These molecules have shown to possess advantages as acceptors such as long lifetimes of the charge-separated states.

High sensitization efficiency and energy transfer routes for population inversion at low pump intensity in Er organic complexes for IR amplification.

PubMed

Hu, J X; Karamshuk, S; Gorbaciova, J; Ye, H Q; Lu, H; Zhang, Y P; Zheng, Y X; Liang, X; Hernández, I; Wyatt, P B; Gillin, W P

2018-02-19

Organic erbium complexes have long been of interest due to their potential for using the strong absorption into the organic to sensitise the erbium emission. Despite this interest there is remarkably little quantitative information on how effective the approach is and the discussion of the energy transfer mechanism is generally vague. Here we accurately quantify the sensitisation as a function of excitation pump density and model it using a rate equation approach. As a result, we can calculate the degree of population inversion for the erbium ions as a function of the pump intensity. We demonstrate that even when we increase the erbium concentration in the films from ~10 to ~80% we find a relatively small decrease in the sensitisation which we attribute to the large (>20 Å) Förster radius for the sensitisation process. We show that we can obtain population inversion in our films at very low pump powers ~600 mW/cm 2 . The calculated Förster radius for the organic erbium complexes suggests design rules for energy transfer between antennas and erbium ions in molecular systems and hybrid organic-inorganic nanoparticles.

Synthesis of Natural Electric and Magnetic Time Series Using Impulse Responses of Inter-station Transfer Functions and a Reference

NASA Astrophysics Data System (ADS)

Wang, H.; Cheng, J.

2017-12-01

A method to Synthesis natural electric and magnetic Time series is proposed whereby the time series of local site are derived using an Impulse Response and a reference (STIR). The method is based on the assumption that the external source of magnetic fields are uniform, and the electric and magnetic fields acquired at the surface satisfy a time-independent linear relation in frequency domain.According to the convolution theorem, we can synthesize natural electric and magnetic time series using the impulse responses of inter-station transfer functions with a reference. Applying this method, two impulse responses need to be estimated: the quasi-MT impulse response tensor and the horizontal magnetic impulse response tensor. These impulse response tensors relate the local horizontal electric and magnetic components with the horizontal magnetic components at a reference site, respectively. Some clean segments of times series are selected to estimate impulse responses by using least-square (LS) method. STIR is similar with STIN (Wang, 2017), but STIR does not need to estimate the inter-station transfer functions, and the synthesized data are more accurate in high frequency, where STIN fails when the inter-station transfer functions are contaminated severely. A test with good quality of MT data shows that synthetic time-series are similar to natural electric and magnetic time series. For contaminated AMT example, when this method is used to remove noise present at the local site, the scatter of MT sounding curves are clear reduced, and the data quality are improved. *This work is funded by National Key R&D Program of China(2017YFC0804105),National Natural Science Foundation of China (41604064, 51574250), State Key Laboratory of Coal Resources and Safe Mining ,China University of Mining & Technology,(SKLCRSM16DC09)

Automated real time peg and tool detection for the FLS trainer box.

PubMed

Nemani, Arun; Sankaranarayanan, Ganesh

2012-01-01

This study proposes a method that effectively tracks trocar tool and peg positions in real time to allow real time assessment of the peg transfer task of the Fundamentals of Laparoscopic Surgery (FLS). By utilizing custom code along with OpenCV libraries, tool and peg positions can be accurately tracked without altering the original setup conditions of the FLS trainer box. This is achieved via a series of image filtration sequences, thresholding functions, and Haar training methods.

Unconditionally stable finite-difference time-domain methods for modeling the Sagnac effect

NASA Astrophysics Data System (ADS)

Novitski, Roman; Scheuer, Jacob; Steinberg, Ben Z.

2013-02-01

We present two unconditionally stable finite-difference time-domain (FDTD) methods for modeling the Sagnac effect in rotating optical microsensors. The methods are based on the implicit Crank-Nicolson scheme, adapted to hold in the rotating system reference frame—the rotating Crank-Nicolson (RCN) methods. The first method (RCN-2) is second order accurate in space whereas the second method (RCN-4) is fourth order accurate. Both methods are second order accurate in time. We show that the RCN-4 scheme is more accurate and has better dispersion isotropy. The numerical results show good correspondence with the expression for the classical Sagnac resonant frequency splitting when using group refractive indices of the resonant modes of a microresonator. Also we show that the numerical results are consistent with the perturbation theory for the rotating degenerate microcavities. We apply our method to simulate the effect of rotation on an entire Coupled Resonator Optical Waveguide (CROW) consisting of a set of coupled microresonators. Preliminary results validate the formation of a rotation-induced gap at the center of a transfer function of a CROW.

Relativistic effects in ab initio electron-nucleus scattering

NASA Astrophysics Data System (ADS)

Rocco, Noemi; Leidemann, Winfried; Lovato, Alessandro; Orlandini, Giuseppina

2018-05-01

The electromagnetic responses obtained from Green's function Monte Carlo (GFMC) calculations are based on realistic treatments of nuclear interactions and currents. The main limitations of this method comes from its nonrelativistic nature and its computational cost, the latter hampering the direct evaluation of the inclusive cross sections as measured by experiments. We extend the applicability of GFMC in the quasielastic region to intermediate momentum transfers by performing the calculations in a reference frame that minimizes nucleon momenta. Additional relativistic effects in the kinematics are accounted for employing the two-fragment model. In addition, we developed a novel algorithm, based on the concept of first-kind scaling, to compute the inclusive electromagnetic cross section of 4He through an accurate and reliable interpolation of the response functions. A very good agreement is obtained between theoretical and experimental cross sections for a variety of kinematical setups. This offers a promising prospect for the data analysis of neutrino-oscillation experiments that requires an accurate description of nuclear dynamics in which relativistic effects are fully accounted for.

Experimental evaluation of a mathematical model for predicting transfer efficiency of a high volume-low pressure air spray gun.

PubMed

Tan, Y M; Flynn, M R

2000-10-01

The transfer efficiency of a spray-painting gun is defined as the amount of coating applied to the workpiece divided by the amount sprayed. Characterizing this transfer process allows for accurate estimation of the overspray generation rate, which is important for determining a spray painter's exposure to airborne contaminants. This study presents an experimental evaluation of a mathematical model for predicting the transfer efficiency of a high volume-low pressure spray gun. The effects of gun-to-surface distance and nozzle pressure on the agreement between the transfer efficiency measurement and prediction were examined. Wind tunnel studies and non-volatile vacuum pump oil in place of commercial paint were used to determine transfer efficiency at nine gun-to-surface distances and four nozzle pressure levels. The mathematical model successfully predicts transfer efficiency within the uncertainty limits. The least squares regression between measured and predicted transfer efficiency has a slope of 0.83 and an intercept of 0.12 (R2 = 0.98). Two correction factors were determined to improve the mathematical model. At higher nozzle pressure settings, 6.5 psig and 5.5 psig, the correction factor is a function of both gun-to-surface distance and nozzle pressure level. At lower nozzle pressures, 4 psig and 2.75 psig, gun-to-surface distance slightly influences the correction factor, while nozzle pressure has no discernible effect.

FILM-30: A Heat Transfer Properties Code for Water Coolant

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

MARSHALL, THERON D.

2001-02-01

A FORTRAN computer code has been written to calculate the heat transfer properties at the wetted perimeter of a coolant channel when provided the bulk water conditions. This computer code is titled FILM-30 and the code calculates its heat transfer properties by using the following correlations: (1) Sieder-Tate: forced convection, (2) Bergles-Rohsenow: onset to nucleate boiling, (3) Bergles-Rohsenow: partially developed nucleate boiling, (4) Araki: fully developed nucleate boiling, (5) Tong-75: critical heat flux (CHF), and (6) Marshall-98: transition boiling. FILM-30 produces output files that provide the heat flux and heat transfer coefficient at the wetted perimeter as a function ofmore » temperature. To validate FILM-30, the calculated heat transfer properties were used in finite element analyses to predict internal temperatures for a water-cooled copper mockup under one-sided heating from a rastered electron beam. These predicted temperatures were compared with the measured temperatures from the author's 1994 and 1998 heat transfer experiments. There was excellent agreement between the predicted and experimentally measured temperatures, which confirmed the accuracy of FILM-30 within the experimental range of the tests. FILM-30 can accurately predict the CHF and transition boiling regimes, which is an important advantage over current heat transfer codes. Consequently, FILM-30 is ideal for predicting heat transfer properties for applications that feature high heat fluxes produced by one-sided heating.« less

Robust Stacking-Independent Ultrafast Charge Transfer in MoS2/WS2 Bilayers.

PubMed

Ji, Ziheng; Hong, Hao; Zhang, Jin; Zhang, Qi; Huang, Wei; Cao, Ting; Qiao, Ruixi; Liu, Can; Liang, Jing; Jin, Chuanhong; Jiao, Liying; Shi, Kebin; Meng, Sheng; Liu, Kaihui

2017-12-26

Van der Waals-coupled two-dimensional (2D) heterostructures have attracted great attention recently due to their high potential in the next-generation photodetectors and solar cells. The understanding of charge-transfer process between adjacent atomic layers is the key to design optimal devices as it directly determines the fundamental response speed and photon-electron conversion efficiency. However, general belief and theoretical studies have shown that the charge transfer behavior depends sensitively on interlayer configurations, which is difficult to control accurately, bringing great uncertainties in device designing. Here we investigate the ultrafast dynamics of interlayer charge transfer in a prototype heterostructure, the MoS 2 /WS 2 bilayer with various stacking configurations, by optical two-color ultrafast pump-probe spectroscopy. Surprisingly, we found that the charge transfer is robust against varying interlayer twist angles and interlayer coupling strength, in time scale of ∼90 fs. Our observation, together with atomic-resolved transmission electron characterization and time-dependent density functional theory simulations, reveals that the robust ultrafast charge transfer is attributed to the heterogeneous interlayer stretching/sliding, which provides additional channels for efficient charge transfer previously unknown. Our results elucidate the origin of transfer rate robustness against interlayer stacking configurations in optical devices based on 2D heterostructures, facilitating their applications in ultrafast and high-efficient optoelectronic and photovoltaic devices in the near future.

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

PubMed Central

Fowler, Nicholas J.; Blanford, Christopher F.

2017-01-01

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

Methods for characterizing convective cryoprobe heat transfer in ultrasound gel phantoms.

PubMed

Etheridge, Michael L; Choi, Jeunghwan; Ramadhyani, Satish; Bischof, John C

2013-02-01

While cryosurgery has proven capable in treating of a variety of conditions, it has met with some resistance among physicians, in part due to shortcomings in the ability to predict treatment outcomes. Here we attempt to address several key issues related to predictive modeling by demonstrating methods for accurately characterizing heat transfer from cryoprobes, report temperature dependent thermal properties for ultrasound gel (a convenient tissue phantom) down to cryogenic temperatures, and demonstrate the ability of convective exchange heat transfer boundary conditions to accurately describe freezing in the case of single and multiple interacting cryoprobe(s). Temperature dependent changes in the specific heat and thermal conductivity for ultrasound gel are reported down to -150 °C for the first time here and these data were used to accurately describe freezing in ultrasound gel in subsequent modeling. Freezing around a single and two interacting cryoprobe(s) was characterized in the ultrasound gel phantom by mapping the temperature in and around the "iceball" with carefully placed thermocouple arrays. These experimental data were fit with finite-element modeling in COMSOL Multiphysics, which was used to investigate the sensitivity and effectiveness of convective boundary conditions in describing heat transfer from the cryoprobes. Heat transfer at the probe tip was described in terms of a convective coefficient and the cryogen temperature. While model accuracy depended strongly on spatial (i.e., along the exchange surface) variation in the convective coefficient, it was much less sensitive to spatial and transient variations in the cryogen temperature parameter. The optimized fit, convective exchange conditions for the single-probe case also provided close agreement with the experimental data for the case of two interacting cryoprobes, suggesting that this basic characterization and modeling approach can be extended to accurately describe more complicated, multiprobe freezing geometries. Accurately characterizing cryoprobe behavior in phantoms requires detailed knowledge of the freezing medium's properties throughout the range of expected temperatures and an appropriate description of the heat transfer across the probe's exchange surfaces. Here we demonstrate that convective exchange boundary conditions provide an accurate and versatile description of heat transfer from cryoprobes, offering potential advantages over the traditional constant surface heat flux and constant surface temperature descriptions. In addition, although this study was conducted on Joule-Thomson type cryoprobes, the general methodologies should extend to any probe that is based on convective exchange with a cryogenic fluid.

Contrast computation methods for interferometric measurement of sensor modulation transfer function

NASA Astrophysics Data System (ADS)

Battula, Tharun; Georgiev, Todor; Gille, Jennifer; Goma, Sergio

2018-01-01

Accurate measurement of image-sensor frequency response over a wide range of spatial frequencies is very important for analyzing pixel array characteristics, such as modulation transfer function (MTF), crosstalk, and active pixel shape. Such analysis is especially significant in computational photography for the purposes of deconvolution, multi-image superresolution, and improved light-field capture. We use a lensless interferometric setup that produces high-quality fringes for measuring MTF over a wide range of frequencies (here, 37 to 434 line pairs per mm). We discuss the theoretical framework, involving Michelson and Fourier contrast measurement of the MTF, addressing phase alignment problems using a moiré pattern. We solidify the definition of Fourier contrast mathematically and compare it to Michelson contrast. Our interferometric measurement method shows high detail in the MTF, especially at high frequencies (above Nyquist frequency). We are able to estimate active pixel size and pixel pitch from measurements. We compare both simulation and experimental MTF results to a lens-free slanted-edge implementation using commercial software.

A nonlinear macromodel of the bipolar integrated circuit operational amplifier for electromagnetic interference analysis

NASA Astrophysics Data System (ADS)

Chen, G. K. C.

1981-06-01

A nonlinear macromodel for the bipolar transistor integrated circuit operational amplifier is derived from the macromodel proposed by Boyle. The nonlinear macromodel contains only two nonlinear transistors in the input stage in a differential amplifier configuration. Parasitic capacitance effects are represented by capacitors placed at the collectors and emitters of the input transistors. The nonlinear macromodel is effective in predicting the second order intermodulation effect of operational amplifiers in a unity gain buffer amplifier configuration. The nonlinear analysis computer program NCAP is used for the analysis. Accurate prediction of demodulation of amplitude modulated RF signals with RF carrier frequencies in the 0.05 to 100 MHz range is achieved. The macromodel predicted results, presented in the form of second order nonlinear transfer function, come to within 6 dB of the full model predictions for the 741 type of operational amplifiers for values of the second order transfer function greater than -40 dB.

A new modelling and identification scheme for time-delay systems with experimental investigation: a relay feedback approach

NASA Astrophysics Data System (ADS)

Pandey, Saurabh; Majhi, Somanath; Ghorai, Prasenjit

2017-07-01

In this paper, the conventional relay feedback test has been modified for modelling and identification of a class of real-time dynamical systems in terms of linear transfer function models with time-delay. An ideal relay and unknown systems are connected through a negative feedback loop to bring the sustained oscillatory output around the non-zero setpoint. Thereafter, the obtained limit cycle information is substituted in the derived mathematical equations for accurate identification of unknown plants in terms of overdamped, underdamped, critically damped second-order plus dead time and stable first-order plus dead time transfer function models. Typical examples from the literature are included for the validation of the proposed identification scheme through computer simulations. Subsequently, the comparisons between estimated model and true system are drawn through integral absolute error criterion and frequency response plots. Finally, the obtained output responses through simulations are verified experimentally on real-time liquid level control system using Yokogawa Distributed Control System CENTUM CS3000 set up.

Cassini Archive Tracking System

NASA Technical Reports Server (NTRS)

Conner, Diane; Sayfi, Elias; Tinio, Adrian

2006-01-01

The Cassini Archive Tracking System (CATS) is a computer program that enables tracking of scientific data transfers from originators to the Planetary Data System (PDS) archives. Without CATS, there is no systematic means of locating products in the archive process or ensuring their completeness. By keeping a database of transfer communications and status, CATS enables the Cassini Project and the PDS to efficiently and accurately report on archive status. More importantly, problem areas are easily identified through customized reports that can be generated on the fly from any Web-enabled computer. A Web-browser interface and clearly defined authorization scheme provide safe distributed access to the system, where users can perform functions such as create customized reports, record a transfer, and respond to a transfer. CATS ensures that Cassini provides complete science archives to the PDS on schedule and that those archives are available to the science community by the PDS. The three-tier architecture is loosely coupled and designed for simple adaptation to multimission use. Written in the Java programming language, it is portable and can be run on any Java-enabled Web server.

First FAMU observation of muon transfer from μp atoms to higher-Z elements

NASA Astrophysics Data System (ADS)

Mocchiutti, E.; Bonvicini, V.; Carbone, R.; Danailov, M.; Furlanetto, E.; Gadedjisso-Tossou, K. S.; Guffanti, D.; Pizzolotto, C.; Rachevski, A.; Stoychev, L.; Vallazza, E.; Zampa, G.; Niemela, J.; Ishida, K.; Adamczak, A.; Baccolo, G.; Benocci, R.; Bertoni, R.; Bonesini, M.; Chignoli, F.; Clemenza, M.; Curioni, A.; Maggi, V.; Mazza, R.; Moretti, M.; Nastasi, M.; Previtali, E.; Bakalov, D.; Danev, P.; Stoilov, M.; Baldazzi, G.; Campana, G.; D'Antone, I.; Furini, M.; Fuschino, F.; Labanti, C.; Margotti, A.; Meneghini, S.; Morgante, G.; Rignanese, L. P.; Rossi, P. L.; Zuffa, M.; Cervi, T.; De Bari, A.; Menegolli, A.; De Vecchi, C.; Nardò, R.; Rossella, M.; Tomaselli, A.; Colace, L.; De Vincenzi, M.; Iaciofano, A.; Somma, F.; Tortora, L.; Ramponi, R.; Vacchi, A.

2018-02-01

The FAMU experiment aims to accurately measure the hyperfine splitting of the ground state of the muonic hydrogen atom. A measurement of the transfer rate of muons from hydrogen to heavier gases is necessary for this purpose. In June 2014, within a preliminary experiment, a pressurized gas-target was exposed to the pulsed low-energy muon beam at the RIKEN RAL muon facility (Rutherford Appleton Laboratory, U.K.). The main goal of the test was the characterization of both the noise induced by the pulsed beam and the X-ray detectors. The apparatus, to some extent rudimental, has served admirably to this task. Technical results have been published that prove the validity of the choices made and pave the way for the next steps. This paper presents the results of physical relevance of measurements of the muon transfer rate to carbon dioxide, oxygen, and argon from non-thermalized excited μp atoms. The analysis methodology and the approach to the systematics errors are useful for the subsequent study of the transfer rate as function of the kinetic energy of the μp currently under way.

An asymptotic preserving unified gas kinetic scheme for frequency-dependent radiative transfer equations

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

Sun, Wenjun, E-mail: sun_wenjun@iapcm.ac.cn; Jiang, Song, E-mail: jiang@iapcm.ac.cn; Xu, Kun, E-mail: makxu@ust.hk

This paper presents an extension of previous work (Sun et al., 2015 [22]) of the unified gas kinetic scheme (UGKS) for the gray radiative transfer equations to the frequency-dependent (multi-group) radiative transfer system. Different from the gray radiative transfer equations, where the optical opacity is only a function of local material temperature, the simulation of frequency-dependent radiative transfer is associated with additional difficulties from the frequency-dependent opacity. For the multiple frequency radiation, the opacity depends on both the spatial location and the frequency. For example, the opacity is typically a decreasing function of frequency. At the same spatial region themore » transport physics can be optically thick for the low frequency photons, and optically thin for high frequency ones. Therefore, the optical thickness is not a simple function of space location. In this paper, the UGKS for frequency-dependent radiative system is developed. The UGKS is a finite volume method and the transport physics is modeled according to the ratio of the cell size to the photon's frequency-dependent mean free path. When the cell size is much larger than the photon's mean free path, a diffusion solution for such a frequency radiation will be obtained. On the other hand, when the cell size is much smaller than the photon's mean free path, a free transport mechanism will be recovered. In the regime between the above two limits, with the variation of the ratio between the local cell size and photon's mean free path, the UGKS provides a smooth transition in the physical and frequency space to capture the corresponding transport physics accurately. The seemingly straightforward extension of the UGKS from the gray to multiple frequency radiation system is due to its intrinsic consistent multiple scale transport modeling, but it still involves lots of work to properly discretize the multiple groups in order to design an asymptotic preserving (AP) scheme in all regimes. The current scheme is tested in a few frequency-dependent radiation problems, and the results are compared with the solutions from the well-defined implicit Monte Carlo (IMC) method. The UGKS is much more efficient than IMC, and the computational times of both schemes for all test cases are listed. The UGKS seems to be the first discrete ordinate method (DOM) for the accurate capturing of multiple frequency radiative transport physics from ballistic particle motion to the diffusive wave propagation.« less

Bidirectional Reflectance of Flat, Optically Thick Particulate Layers: An Efficient Radiative Transfer Solution and Applications to Snow and Soil Surfaces

NASA Technical Reports Server (NTRS)

Mishchenko, Michael I.; Dlugach, Janna M.; Yanovitsku, Edgard G.; Zakharova, Nadia T.

1999-01-01

We describe a simple and highly efficient and accurate radiative transfer technique for computing bidirectional reflectance of a macroscopically flat scattering layer composed of nonabsorbing or weakly absorbing, arbitrarily shaped, randomly oriented and randomly distributed particles. The layer is assumed to be homogeneous and optically semi-infinite, and the bidirectional reflection function (BRF) is found by a simple iterative solution of the Ambartsumian's nonlinear integral equation. As an exact Solution of the radiative transfer equation, the reflection function thus obtained fully obeys the fundamental physical laws of energy conservation and reciprocity. Since this technique bypasses the computation of the internal radiation field, it is by far the fastest numerical approach available and can be used as an ideal input for Monte Carlo procedures calculating BRFs of scattering layers with macroscopically rough surfaces. Although the effects of packing density and coherent backscattering are currently neglected, they can also be incorporated. The FORTRAN implementation of the technique is available on the World Wide Web at http://ww,,v.giss.nasa.gov/-crmim/brf.html and can be applied to a wide range of remote sensing, engineering, and biophysical problems. We also examine the potential effect of ice crystal shape on the bidirectional reflectance of flat snow surfaces and the applicability of the Henyey-Greenstein phase function and the 6-Eddington approximation in calculations for soil surfaces.

N(+)-N and O(+)-O interaction energies, dipole transition moments, and transport cross sections

NASA Technical Reports Server (NTRS)

Partridge, H.; Stallcop, J. R.

1986-01-01

Complete sets of ion-atom interaction energies have been computed for nitrogen and oxygen with accurate large scale structure calculations. The computed energies agree well with the accurate potential curves available from spectroscopic measurement. The state functions from the nitrogen calculations have been applied to determine the transition moment for all allowed dipole transitions. These results can be combined to compute a detailed radiation spectrum such as that required to define the highly nonequilibrium environment of aeroassisted orbital transfer vehicle (AOTV). The long-range interaction energies have been used to determine the ion-atom resonance charge exchange cross sections that are important for transport processes such as diffusion. A calculation to determine reliable transport properties for energies that include the AOTV temperature range from these computed properties is described.

A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states.

PubMed

Rohrdanz, Mary A; Martins, Katie M; Herbert, John M

2009-02-07

We introduce a hybrid density functional that asymptotically incorporates full Hartree-Fock exchange, based on the long-range-corrected exchange-hole model of Henderson et al. [J. Chem. Phys. 128, 194105 (2008)]. The performance of this functional, for ground-state properties and for vertical excitation energies within time-dependent density functional theory, is systematically evaluated, and optimal values are determined for the range-separation parameter, omega, and for the fraction of short-range Hartree-Fock exchange. We denote the new functional as LRC-omegaPBEh, since it reduces to the standard PBEh hybrid functional (also known as PBE0 or PBE1PBE) for a certain choice of its two parameters. Upon optimization of these parameters against a set of ground- and excited-state benchmarks, the LRC-omegaPBEh functional fulfills three important requirements: (i) It outperforms the PBEh hybrid functional for ground-state atomization energies and reaction barrier heights; (ii) it yields statistical errors comparable to PBEh for valence excitation energies in both small and medium-sized molecules; and (iii) its performance for charge-transfer excitations is comparable to its performance for valence excitations. LRC-omegaPBEh, with the parameters determined herein, is the first density functional that satisfies all three criteria. Notably, short-range Hartree-Fock exchange appears to be necessary in order to obtain accurate ground-state properties and vertical excitation energies using the same value of omega.

Accuracy and Transferability of Ab Initio Electronic Band Structure Calculations for Doped BiFeO3

NASA Astrophysics Data System (ADS)

Gebhardt, Julian; Rappe, Andrew M.

2017-11-01

BiFeO3 is a multiferroic material and, therefore, highly interesting with respect to future oxide electronics. In order to realize such devices, pn junctions need to be fabricated, which are currently impeded by the lack of successful p-type doping in this material. In order to guide the numerous research efforts in this field, we recently finished a comprehensive computational study, investigating the influence of many dopants onto the electronic structure of BiFeO3. In order to allow for this large scale ab initio study, the computational setup had to be accurate and efficient. Here we discuss the details of this assessment, showing that standard density-functional theory (DFT) yields good structural properties. The obtained electronic structure, however, suffers from well-known shortcomings. By comparing the conventional DFT results for alkali and alkaline-earth metal doping with more accurate hybrid-DFT calculations, we show that, in this case, the problems of standard DFT go beyond a simple systematic error. Conventional DFT shows bad transferability and the more reliable hybrid-DFT has to be chosen for a qualitatively correct prediction of doping induced changes in the electronic structure of BiFeO3.

Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions.

PubMed

DeGregorio, Nicole; Iyengar, Srinivasan S

2018-01-09

We present two sampling measures to gauge critical regions of potential energy surfaces. These sampling measures employ (a) the instantaneous quantum wavepacket density, an approximation to the (b) potential surface, its (c) gradients, and (d) a Shannon information theory based expression that estimates the local entropy associated with the quantum wavepacket. These four criteria together enable a directed sampling of potential surfaces that appears to correctly describe the local oscillation frequencies, or the local Nyquist frequency, of a potential surface. The sampling functions are then utilized to derive a tessellation scheme that discretizes the multidimensional space to enable efficient sampling of potential surfaces. The sampled potential surface is then combined with four different interpolation procedures, namely, (a) local Hermite curve interpolation, (b) low-pass filtered Lagrange interpolation, (c) the monomial symmetrization approximation (MSA) developed by Bowman and co-workers, and (d) a modified Shepard algorithm. The sampling procedure and the fitting schemes are used to compute (a) potential surfaces in highly anharmonic hydrogen-bonded systems and (b) study hydrogen-transfer reactions in biogenic volatile organic compounds (isoprene) where the transferring hydrogen atom is found to demonstrate critical quantum nuclear effects. In the case of isoprene, the algorithm discussed here is used to derive multidimensional potential surfaces along a hydrogen-transfer reaction path to gauge the effect of quantum-nuclear degrees of freedom on the hydrogen-transfer process. Based on the decreased computational effort, facilitated by the optimal sampling of the potential surfaces through the use of sampling functions discussed here, and the accuracy of the associated potential surfaces, we believe the method will find great utility in the study of quantum nuclear dynamics problems, of which application to hydrogen-transfer reactions and hydrogen-bonded systems is demonstrated here.

Planetary spectra for anisotropic scattering

NASA Technical Reports Server (NTRS)

Chamberlain, J. W.

1976-01-01

Some effects on planetary spectra that would be produced by departures from isotropic scattering are examined. The phase function is the simplest departure to handle analytically and the only phase function, other than the isotropic one, that can be incorporated into a Chandrasekhar first approximation. This approach has the advantage of illustrating effects resulting from anisotropies while retaining the simplicity that yields analytic solutions. The curve of growth is the sine qua non of planetary spectroscopy. The discussion emphasizes the difficulties and importance of ascertaining curves of growth as functions of observing geometry. A plea is made to observers to analyze their empirical curves of growth, whenever it seems feasible, in terms of coefficients of which are the leading terms in radiative-transfer analysis. An algebraic solution to the two sets of anisotropic H functions is developed which gives emergent intensities accurate to 0.3%.

Investigation of Field-Collected Data Using Diffuse and Specular, Forward and Reverse Radiative Transfer Models

DTIC Science & Technology

2015-03-26

Statement It is very difficult to obtain and use spectral BRDFs due to aforementioned reasons, while the need to accurately model the spectral and...Lambertian and MERL nickel-shaped BRDF models (Butler, 2014:1- 3 10), suggesting that accurate BRDFs are required to account for the significance of... BRDF -based radiative transfer models . Research Objectives /Hypotheses The need to represent the spectral reflected radiance of a material using

AU-FREDI - AUTONOMOUS FREQUENCY DOMAIN IDENTIFICATION

NASA Technical Reports Server (NTRS)

Yam, Y.

1994-01-01

The Autonomous Frequency Domain Identification program, AU-FREDI, is a system of methods, algorithms and software that was developed for the identification of structural dynamic parameters and system transfer function characterization for control of large space platforms and flexible spacecraft. It was validated in the CALTECH/Jet Propulsion Laboratory's Large Spacecraft Control Laboratory. Due to the unique characteristics of this laboratory environment, and the environment-specific nature of many of the software's routines, AU-FREDI should be considered to be a collection of routines which can be modified and reassembled to suit system identification and control experiments on large flexible structures. The AU-FREDI software was originally designed to command plant excitation and handle subsequent input/output data transfer, and to conduct system identification based on the I/O data. Key features of the AU-FREDI methodology are as follows: 1. AU-FREDI has on-line digital filter design to support on-orbit optimal input design and data composition. 2. Data composition of experimental data in overlapping frequency bands overcomes finite actuator power constraints. 3. Recursive least squares sine-dwell estimation accurately handles digitized sinusoids and low frequency modes. 4. The system also includes automated estimation of model order using a product moment matrix. 5. A sample-data transfer function parametrization supports digital control design. 6. Minimum variance estimation is assured with a curve fitting algorithm with iterative reweighting. 7. Robust root solvers accurately factorize high order polynomials to determine frequency and damping estimates. 8. Output error characterization of model additive uncertainty supports robustness analysis. The research objectives associated with AU-FREDI were particularly useful in focusing the identification methodology for realistic on-orbit testing conditions. Rather than estimating the entire structure, as is typically done in ground structural testing, AU-FREDI identifies only the key transfer function parameters and uncertainty bounds that are necessary for on-line design and tuning of robust controllers. AU-FREDI's system identification algorithms are independent of the JPL-LSCL environment, and can easily be extracted and modified for use with input/output data files. The basic approach of AU-FREDI's system identification algorithms is to non-parametrically identify the sampled data in the frequency domain using either stochastic or sine-dwell input, and then to obtain a parametric model of the transfer function by curve-fitting techniques. A cross-spectral analysis of the output error is used to determine the additive uncertainty in the estimated transfer function. The nominal transfer function estimate and the estimate of the associated additive uncertainty can be used for robust control analysis and design. AU-FREDI's I/O data transfer routines are tailored to the environment of the CALTECH/ JPL-LSCL which included a special operating system to interface with the testbed. Input commands for a particular experiment (wideband, narrowband, or sine-dwell) were computed on-line and then issued to respective actuators by the operating system. The operating system also took measurements through displacement sensors and passed them back to the software for storage and off-line processing. In order to make use of AU-FREDI's I/O data transfer routines, a user would need to provide an operating system capable of overseeing such functions between the software and the experimental setup at hand. The program documentation contains information designed to support users in either providing such an operating system or modifying the system identification algorithms for use with input/output data files. It provides a history of the theoretical, algorithmic and software development efforts including operating system requirements and listings of some of the various special purpose subroutines which were developed and optimized for Lahey FORTRAN compilers on IBM PC-AT computers before the subroutines were integrated into the system software. Potential purchasers are encouraged to purchase and review the documentation before purchasing the AU-FREDI software. AU-FREDI is distributed in DEC VAX BACKUP format on a 1600 BPI 9-track magnetic tape (standard media) or a TK50 tape cartridge. AU-FREDI was developed in 1989 and is a copyrighted work with all copyright vested in NASA.

Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3+ to study reaction dynamics using coupled 3D time-dependent wave-packet approach.

PubMed

Ghosh, Sandip; Mukherjee, Saikat; Mukherjee, Bijit; Mandal, Souvik; Sharma, Rahul; Chaudhury, Pinaki; Adhikari, Satrajit

2017-08-21

The workability of beyond Born-Oppenheimer theory to construct diabatic potential energy surfaces (PESs) of a charge transfer atom-diatom collision process has been explored by performing scattering calculations to extract accurate integral cross sections (ICSs) and rate constants for comparison with most recent experimental quantities. We calculate non-adiabatic coupling terms among the lowest three singlet states of H 3 + system (1 1 A ' , 2 1 A ' , and 3 1 A ' ) using MRCI level of calculation and solve the adiabatic-diabatic transformation equation to formulate the diabatic Hamiltonian matrix of the same process [S. Mukherjee et al., J. Chem. Phys. 141, 204306 (2014)] for the entire region of nuclear configuration space. The nonadiabatic effects in the D + + H 2 reaction has been studied by implementing the coupled 3D time-dependent wave packet formalism in hyperspherical coordinates [S. Adhikari and A. J. C. Varandas, Comput. Phys. Commun. 184, 270 (2013)] with zero and non-zero total angular momentum (J) on such newly constructed accurate (ab initio) diabatic PESs of H 3 + . We have depicted the convergence profiles of reaction probabilities for the reactive non-charge transfer, non-reactive charge transfer, and reactive charge transfer processes for different collisional energies with respect to the helicity (K) and total angular momentum (J) quantum numbers. Finally, total and state-to-state ICSs are calculated as a function of collision energy for the initial rovibrational state (v = 0, j = 0) of the H 2 molecule, and consequently, those quantities are compared with previous theoretical and experimental results.

Extending generalized Kubelka-Munk to three-dimensional radiative transfer.

PubMed

Sandoval, Christopher; Kim, Arnold D

2015-08-10

The generalized Kubelka-Munk (gKM) approximation is a linear transformation of the double spherical harmonics of order one (DP₁) approximation of the radiative transfer equation. Here, we extend the gKM approximation to study problems in three-dimensional radiative transfer. In particular, we derive the gKM approximation for the problem of collimated beam propagation and scattering in a plane-parallel slab composed of a uniform absorbing and scattering medium. The result is an 8×8 system of partial differential equations that is much easier to solve than the radiative transfer equation. We compare the solutions of the gKM approximation with Monte Carlo simulations of the radiative transfer equation to identify the range of validity for this approximation. We find that the gKM approximation is accurate for isotropic scattering media that are sufficiently thick and much less accurate for anisotropic, forward-peaked scattering media.

Nonequilibrium BN-ZnO: Optical properties and excitonic effects from first principles

NASA Astrophysics Data System (ADS)

Zhang, Xiao; Schleife, André

2018-03-01

The nonequilibrium boron nitride (BN) phase of zinc oxide (ZnO) has been reported for thin films and nanostructures, however, its properties are not well understood due to a persistent controversy that prevents reconciling experimental and first-principles results for its atomic coordinates. We use first-principles theoretical spectroscopy to accurately compute electronic and optical properties, including single-quasiparticle and excitonic effects: Band structures and densities of states are computed using density functional theory, hybrid functionals, and the G W approximation. Accurate optical absorption spectra and exciton binding energies are computed by solving the Bethe-Salpeter equation for the optical polarization function. Using this data we show that the band-gap difference between BN-ZnO and wurtzite (WZ) ZnO agrees very well with experiment when the theoretical lattice geometry is used, but significantly disagrees for the experimental atomic coordinates. We also show that the optical anisotropy of BN-ZnO differs significantly from that of WZ-ZnO, allowing us to optically distinguish both polymorphs. By using the transfer-matrix method to solve Maxwell's equations for thin films composed of both polymorphs, we illustrate that this opens up a promising route for tuning optical properties.

Mass transfer parameters of celeriac during vacuum drying

NASA Astrophysics Data System (ADS)

Beigi, Mohsen

2017-04-01

An accurate prediction of moisture transfer parameters is very important for efficient mass transfer analysis, accurate modelling of drying process, and better designing of new dryers and optimization of existing drying process. The present study aimed to investigate the influence of temperature (e.g., 55, 65 and 75 °C) and chamber pressure (e.g., 0.1, 3, 7, 10, 13 and 17 kPa) on effective diffusivity and convective mass transfer coefficient of celeriac slices during vacuum drying. The obtained Biot number indicated that the moisture transfer in the celeriac slices was controlled by both internal and external resistance. The effective diffusivity obtained to be in the ranges of 7.5231 × 10-10-3.8015 × 10-9 m2 s-1. The results showed that the diffusivity increased with increasing temperature and decreasing pressure. The mass transfer coefficient values varied from 4.6789 × 10-7 to 1.0059 × 10-6 m s-1, and any increment in drying temperature and pressure caused an increment in the coefficient.

A New Methodology for Turbulence Modelers Using DNS Database Analysis

NASA Technical Reports Server (NTRS)

Parneix, S.; Durbin, P.

1996-01-01

Many industrial applications in such fields as aeronautical, mechanical, thermal, and environmental engineering involve complex turbulent flows containing global separations and subsequent reattachment zones. Accurate prediction of this phenomena is very important because separations influence the whole fluid flow and may have an even bigger impact on surface heat transfer. In particular, reattaching flows are known to be responsible for large local variations of the local wall heat transfer coefficient as well as modifying the overall heat transfer. For incompressible, non-buoyant situations, the fluid mechanics have to be accurately predicted in order to have a good resolution of the temperature field.

Performance evaluation of MLP and RBF feed forward neural network for the recognition of off-line handwritten characters

NASA Astrophysics Data System (ADS)

Rishi, Rahul; Choudhary, Amit; Singh, Ravinder; Dhaka, Vijaypal Singh; Ahlawat, Savita; Rao, Mukta

2010-02-01

In this paper we propose a system for classification problem of handwritten text. The system is composed of preprocessing module, supervised learning module and recognition module on a very broad level. The preprocessing module digitizes the documents and extracts features (tangent values) for each character. The radial basis function network is used in the learning and recognition modules. The objective is to analyze and improve the performance of Multi Layer Perceptron (MLP) using RBF transfer functions over Logarithmic Sigmoid Function. The results of 35 experiments indicate that the Feed Forward MLP performs accurately and exhaustively with RBF. With the change in weight update mechanism and feature-drawn preprocessing module, the proposed system is competent with good recognition show.

Light metal decorated graphdiyne nanosheets for reversible hydrogen storage.

PubMed

Panigrahi, P; Dhinakaran, A K; Naqvi, S R; Gollu, S R; Ahuja, R; Hussain, T

2018-05-29

The sensitive nature of molecular hydrogen (H 2 ) interaction with the surfaces of pristine and functionalized nanostructures, especially two-dimensional materials, has been a subject of debate for a while now. An accurate approximation of the H 2 adsorption mechanism has vital significance for fields such as H 2 storage applications. Owing to the importance of this issue, we have performed a comprehensive density functional theory (DFT) study by means of several different approximations to investigate the structural, electronic, charge transfer and energy storage properties of pristine and functionalized graphdiyne (GDY) nanosheets. The dopants considered here include the light metals Li, Na, K, Ca, Sc and Ti, which have a uniform distribution over GDY even at high doping concentration due to their strong binding and charge transfer mechanism. Upon 11% of metal functionalization, GDY changes into a metallic state from being a small band-gap semiconductor. Such situations turn the dopants to a partial positive state, which is favorable for adsorption of H 2 molecules. The adsorption mechanism of H 2 on GDY has been studied and compared by different methods like generalized gradient approximation, van der Waals density functional and DFT-D3 functionals. It has been established that each functionalized system anchors multiple H 2 molecules with adsorption energies that fall into a suitable range regardless of the functional used for approximations. A significantly high H 2 storage capacity would guarantee that light metal-doped GDY nanosheets could serve as efficient and reversible H 2 storage materials.

Low-dimensional, morphologically accurate models of subthreshold membrane potential

PubMed Central

Kellems, Anthony R.; Roos, Derrick; Xiao, Nan; Cox, Steven J.

2009-01-01

The accurate simulation of a neuron’s ability to integrate distributed synaptic input typically requires the simultaneous solution of tens of thousands of ordinary differential equations. For, in order to understand how a cell distinguishes between input patterns we apparently need a model that is biophysically accurate down to the space scale of a single spine, i.e., 1 μm. We argue here that one can retain this highly detailed input structure while dramatically reducing the overall system dimension if one is content to accurately reproduce the associated membrane potential at a small number of places, e.g., at the site of action potential initiation, under subthreshold stimulation. The latter hypothesis permits us to approximate the active cell model with an associated quasi-active model, which in turn we reduce by both time-domain (Balanced Truncation) and frequency-domain (ℋ2 approximation of the transfer function) methods. We apply and contrast these methods on a suite of typical cells, achieving up to four orders of magnitude in dimension reduction and an associated speed-up in the simulation of dendritic democratization and resonance. We also append a threshold mechanism and indicate that this reduction has the potential to deliver an accurate quasi-integrate and fire model. PMID:19172386

Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy Surfaces.

PubMed

Richings, Gareth W; Habershon, Scott

2017-09-12

We describe a method for performing nuclear quantum dynamics calculations using standard, grid-based algorithms, including the multiconfiguration time-dependent Hartree (MCTDH) method, where the potential energy surface (PES) is calculated "on-the-fly". The method of Gaussian process regression (GPR) is used to construct a global representation of the PES using values of the energy at points distributed in molecular configuration space during the course of the wavepacket propagation. We demonstrate this direct dynamics approach for both an analytical PES function describing 3-dimensional proton transfer dynamics in malonaldehyde and for 2- and 6-dimensional quantum dynamics simulations of proton transfer in salicylaldimine. In the case of salicylaldimine we also perform calculations in which the PES is constructed using Hartree-Fock calculations through an interface to an ab initio electronic structure code. In all cases, the results of the quantum dynamics simulations are in excellent agreement with previous simulations of both systems yet do not require prior fitting of a PES at any stage. Our approach (implemented in a development version of the Quantics package) opens a route to performing accurate quantum dynamics simulations via wave function propagation of many-dimensional molecular systems in a direct and efficient manner.

Retrieving the Molecular Composition of Planet-Forming Material: An Accurate Non-LTE Radiative Transfer Code for JWST

NASA Astrophysics Data System (ADS)

Pontoppidan, Klaus

Based on the observed distributions of exoplanets and dynamical models of their evolution, the primary planet-forming regions of protoplanetary disks are thought to span distances of 1-20 AU from typical stars. A key observational challenge of the next decade will be to understand the links between the formation of planets in protoplanetary disks and the chemical composition of exoplanets. Potentially habitable planets in particular are likely formed by solids growing within radii of a few AU, augmented by unknown contributions from volatiles formed at larger radii of 10-50 AU. The basic chemical composition of these inner disk regions is characterized by near- to far-infrared (2-200 micron) emission lines from molecular gas at temperatures of 50-1500 K. A critical step toward measuring the chemical composition of planet-forming regions is therefore to convert observed infrared molecular line fluxes, profiles and images to gas temperatures, densities and molecular abundances. However, current techniques typically employ approximate radiative transfer methods and assumptions of local thermodynamic equilibrium (LTE) to retrieve abundances, leading to uncertainties of orders of magnitude and inconclusive comparisons to chemical models. Ultimately, the scientific impact of the high quality spectroscopic data expected from the James Webb Space Telescope (JWST) will be limited by the availability of radiative transfer tools for infrared molecular lines. We propose to develop a numerically accurate, non-LTE 3D line radiative transfer code, needed to interpret mid-infrared molecular line observations of protoplanetary and debris disks in preparation for the James Webb Space Telescope (JWST). This will be accomplished by adding critical functionality to the existing Monte Carlo code LIME, which was originally developed to support (sub)millimeter interferometric observations. In contrast to existing infrared codes, LIME calculates the exact statistical balance of arbitrary collections of molecular lines, and does not use large velocity gradient (LVG) or escape probability approximations. However, to use LIME for infrared line radiative transfer, new functionality must be added and tested, such as dust scattering, UV fluorescence, and interfaces with public state-of-the art 3D dust radiative transfer codes (e.g., RADMC3D) and thermo-chemical codes (e.g, ProDiMo). Infrared transitions of molecules expected to be ubiquitous in JWST spectra currently do not have good databases applicable to astrophysical modeling and protoplanetary disks, including water, OH, CO2, NH3, CH4, HCN, etc. Obtaining accurate solutions of the non-LTE line transfer problem in 3D in the infrared is computationally intensive. We propose to benchmark the new code relative to existing, approximate methods to determine whether they are accurate, and under what conditions. We will also create conversion tables between mid-infrared line strengths of water, OH, CH4, NH3, CH3OH, CO2 and other species expected to be observed with JWST, and their relative abundances in planet-forming regions. We propose to apply the new IR-LIME to retrieve molecular abundances from archival and new spectroscopic observations with Spitzer/Herschel/Keck/VLT of CO, water, OH and organic molecules, and to publish comprehensive tables of retrieved molecular abundances in protoplanetary disks. The proposed research is relevant to the XRP call, since it addresses a critical step in inferring the chemical abundances of planet-forming material, which in turn can be compared to the observed compositions of exoplanets, thereby improving our understanding of the origins of exoplanetary systems. The proposed research is particularly timely as the first JWST science data are expected to become available toward the end of the three-year duration of the project.

The Importance of Short- and Long-Range Exchange on Various Excited State Properties of DNA Monomers, Stacked Complexes, and Watson-Crick Pairs.

PubMed

Raeber, Alexandra E; Wong, Bryan M

2015-05-12

We present a detailed analysis of several time-dependent DFT (TD-DFT) methods, including conventional hybrid functionals and two types of nonempirically tuned range-separated functionals, for predicting a diverse set of electronic excitations in DNA nucleobase monomers and dimers. This large and extensive set of excitations comprises a total of 50 different transitions (for each tested DFT functional) that includes several n → π and π → π* valence excitations, long-range charge-transfer excitations, and extended Rydberg transitions (complete with benchmark calculations from high-level EOM-CCSD(T) methods). The presence of localized valence excitations as well as extreme long-range charge-transfer excitations in these systems poses a serious challenge for TD-DFT methods that allows us to assess the importance of both short- and long-range exchange contributions for simultaneously predicting all of these various transitions. In particular, we find that functionals that do not have both short- and full long-range exchange components are unable to predict the different types of nucleobase excitations with the same accuracy. Most importantly, the current study highlights the importance of both short-range exchange and a nonempirically tuned contribution of long-range exchange for accurately predicting the diverse excitations in these challenging nucleobase systems.

Computerized analysis and duplication of mandibular motion.

PubMed

Knap, F J; Abler, J H; Richardson, B L

1975-05-01

A new digital system has been devised to analyze and duplicate jaw motion. The arrangement of the electronic system offers a range of versatility which includes graphic as well as numerical data analysis. The duplicator linkage is identical to the sensor linkage which, together with an accurate model transfer system, results in an encouraging level of accuracy in jaw-motion duplication. The data collected from normal subjects should offer some new knowledge in the normal motions of the mandible as well as establish a reference for comparison with abnormal masticatory function.

19 CFR 146.24 - Transfer of merchandise from a zone.

Code of Federal Regulations, 2010 CFR

2010-04-01

...; DEPARTMENT OF THE TREASURY (CONTINUED) FOREIGN TRADE ZONES Inventory Control and Recordkeeping System § 146... transferred from a zone will be accurately recorded within the inventory control and recordkeeping system. (2) The inventory control and recordkeeping system for merchandise transfers must have the capability to...

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

PubMed

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

2017-11-02

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

Valence and charge-transfer optical properties for some SinCm (m, n ≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy

NASA Astrophysics Data System (ADS)

Lutz, Jesse J.; Duan, Xiaofeng F.; Ranasinghe, Duminda S.; Jin, Yifan; Margraf, Johannes T.; Perera, Ajith; Burggraf, Larry W.; Bartlett, Rodney J.

2018-05-01

Accurate optical characterization of the closo-Si12C12 molecule is important to guide experimental efforts toward the synthesis of nano-wires, cyclic nano-arrays, and related array structures, which are anticipated to be robust and efficient exciton materials for opto-electronic devices. Working toward calibrated methods for the description of closo-Si12C12 oligomers, various electronic structure approaches are evaluated for their ability to reproduce measured optical transitions of the SiC2, Si2Cn (n = 1-3), and Si3Cn (n = 1, 2) clusters reported earlier by Steglich and Maier [Astrophys. J. 801, 119 (2015)]. Complete-basis-limit equation-of-motion coupled-cluster (EOMCC) results are presented and a comparison is made between perturbative and renormalized non-iterative triples corrections. The effect of adding a renormalized correction for quadruples is also tested. Benchmark test sets derived from both measurement and high-level EOMCC calculations are then used to evaluate the performance of a variety of density functionals within the time-dependent density functional theory (TD-DFT) framework. The best-performing functionals are subsequently applied to predict valence TD-DFT excitation energies for the lowest-energy isomers of SinC and Sin-1C7-n (n = 4-6). TD-DFT approaches are then applied to the SinCn (n = 4-12) clusters and unique spectroscopic signatures of closo-Si12C12 are discussed. Finally, various long-range corrected density functionals, including those from the CAM-QTP family, are applied to a charge-transfer excitation in a cyclic (Si4C4)4 oligomer. Approaches for gauging the extent of charge-transfer character are also tested and EOMCC results are used to benchmark functionals and make recommendations.

Combining CFD simulations with blockoriented heatflow-network model for prediction of photovoltaic energy-production

NASA Astrophysics Data System (ADS)

Haber, I. E.; Farkas, I.

2011-01-01

The exterior factors which influencing the working circumstances of photovoltaic modules are the irradiation, the optical air layer (Air Mass - AM), the irradiation angle, the environmental temperature and the cooling effect of the wind. The efficiency of photovoltaic (PV) devices is inversely proportional to the cell temperature and therefore the mounting of the PV modules can have a big affect on the cooling, due to wind flow-around and naturally convection. The construction of the modules could be described by a heatflow-network model, and that can define the equation which determines the cells temperature. An equation like this can be solved as a block oriented model with hybrid-analogue simulator such as Matlab-Simulink. In view of the flow field and the heat transfer, witch was calculated numerically, the heat transfer coefficients can be determined. Five inflow rates were set up for both pitched and flat roof cases, to let the trend of the heat transfer coefficient know, while these functions can be used for the Matlab/Simulink model. To model the free convection flows, the Boussinesq-approximation were used, integrated into the Navier-Stokes equations and the energy equation. It has been found that under a constant solar heat gain, the air velocity around the modules and behind the pitched-roof mounted module is increasing, proportionately to the wind velocities, and as result the heat transfer coefficient increases linearly, and can be described by a function in both cases. To the block based model the meteorological parameters and the results of the CFD simulations as single functions were attached. The final aim was to make a model that could be used for planning photovoltaic systems, and define their accurate performance for better sizing of an array of modules.

Integration of the Two-Dimensional Power Spectral Density into Specifications for the X-ray Domain -- Problems and Opportunities

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

McKinney, Wayne R.; Howells, M. R.; Yashchuk, V. V.

2008-09-30

An implementation of the two-dimensional statistical scattering theory of Church and Takacs for the prediction of scattering from x-ray mirrors is presented with a graphical user interface. The process of this development has clarified several problems which are of significant interest to the synchrotron community. These problems have been addressed to some extent, for example, for large astronomical telescopes, and at the National Ignition Facility for normal incidence optics, but not in the synchrotron community for grazing incidence optics. Since it is based on the Power Spectral Density (PSD) to provide a description of the deviations from ideal shape ofmore » the surface, accurate prediction of the scattering requires an accurate estimation of the PSD. Specifically, the spatial frequency range of measurement must be the correct one for the geometry of use of the optic--including grazing incidence and coherence effects, and the modifications to the PSD of the Optical Transfer Functions (OTF) of the measuring instruments must be removed. A solution for removal of OTF effects has been presented previously, the Binary Pseudo-Random Grating. Typically, the frequency range of a single instrument does not cover the range of interest, requiring the stitching together of PSD estimations. This combination generates its own set of difficulties in two dimensions. Fitting smooth functions to two dimensional PSDs, particularly in the case of spatial non-isotropy of the surface, which is often the case for optics in synchrotron beam lines, can be difficult. The convenient, and physically accurate fractal for one dimension does not readily transfer to two dimensions. Finally, a completely statistical description of scattering must be integrated with a deterministic low spatial frequency component in order to completely model the intensity near the image. An outline for approaching these problems, and our proposed experimental program is given.« less

Principal Component-Based Radiative Transfer Model (PCRTM) for Hyperspectral Sensors. Part I; Theoretical Concept

NASA Technical Reports Server (NTRS)

Liu, Xu; Smith, William L.; Zhou, Daniel K.; Larar, Allen

2005-01-01

Modern infrared satellite sensors such as Atmospheric Infrared Sounder (AIRS), Cosmic Ray Isotope Spectrometer (CrIS), Thermal Emission Spectrometer (TES), Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS) and Infrared Atmospheric Sounding Interferometer (IASI) are capable of providing high spatial and spectral resolution infrared spectra. To fully exploit the vast amount of spectral information from these instruments, super fast radiative transfer models are needed. This paper presents a novel radiative transfer model based on principal component analysis. Instead of predicting channel radiance or transmittance spectra directly, the Principal Component-based Radiative Transfer Model (PCRTM) predicts the Principal Component (PC) scores of these quantities. This prediction ability leads to significant savings in computational time. The parameterization of the PCRTM model is derived from properties of PC scores and instrument line shape functions. The PCRTM is very accurate and flexible. Due to its high speed and compressed spectral information format, it has great potential for super fast one-dimensional physical retrievals and for Numerical Weather Prediction (NWP) large volume radiance data assimilation applications. The model has been successfully developed for the National Polar-orbiting Operational Environmental Satellite System Airborne Sounder Testbed - Interferometer (NAST-I) and AIRS instruments. The PCRTM model performs monochromatic radiative transfer calculations and is able to include multiple scattering calculations to account for clouds and aerosols.

Heat Transfer in a Thermoacoustic Process

ERIC Educational Resources Information Center

Beke, Tamas

2012-01-01

Thermoacoustic instability is defined as the excitation of acoustic modes in chambers with heat sources due to the coupling between acoustic perturbations and unsteady heat addition. The major objective of this paper is to achieve accurate theoretical results in a thermoacoustic heat transfer process. We carry out a detailed heat transfer analysis…

Linearized lattice Boltzmann method for micro- and nanoscale flow and heat transfer.

PubMed

Shi, Yong; Yap, Ying Wan; Sader, John E

2015-07-01

Ability to characterize the heat transfer in flowing gases is important for a wide range of applications involving micro- and nanoscale devices. Gas flows away from the continuum limit can be captured using the Boltzmann equation, whose analytical solution poses a formidable challenge. An efficient and accurate numerical simulation of the Boltzmann equation is thus highly desirable. In this article, the linearized Boltzmann Bhatnagar-Gross-Krook equation is used to develop a hierarchy of thermal lattice Boltzmann (LB) models based on half-space Gaussian-Hermite (GH) quadrature ranging from low to high algebraic precision, using double distribution functions. Simplified versions of the LB models in the continuum limit are also derived, and are shown to be consistent with existing thermal LB models for noncontinuum heat transfer reported in the literature. Accuracy of the proposed LB hierarchy is assessed by simulating thermal Couette flows for a wide range of Knudsen numbers. Effects of the underlying quadrature schemes (half-space GH vs full-space GH) and continuum-limit simplifications on computational accuracy are also elaborated. The numerical findings in this article provide direct evidence of improved computational capability of the proposed LB models for modeling noncontinuum flows and heat transfer at small length scales.

Development of laser transmission system

NASA Astrophysics Data System (ADS)

Song, Jiawu; Zhang, Yulan; Yang, Jiandong; Zhang, Xinming

1998-08-01

This paper discusses a light transfer system of therapeutic machine using carbon-dioxide laser. This system is based on imitating human being arm motion principle, consists of optical cardans mainly and can move in three-D space freely. Through it carbon-dioxide laser (which wavelength is 10.6 micrometer) is reflected, focused or diverged and transferred to the different therapeutic part of body to realize the purpose of cutting operation, gasification, cauterization and irradiation. This system includes an indicating system using He-Ne laser, by which carbon-dioxide laser can arrive therapeutic part accurately. This system possesses some advantages e.g. an accurate transfer, large moving range, small power consumption, high power density and easy operation. At present the occupancy in home market of this kind laser transfer system products is over 95%. Some products have been exported to other countries.

Joint statistics of strongly correlated neurons via dimensionality reduction

NASA Astrophysics Data System (ADS)

Deniz, Taşkın; Rotter, Stefan

2017-06-01

The relative timing of action potentials in neurons recorded from local cortical networks often shows a non-trivial dependence, which is then quantified by cross-correlation functions. Theoretical models emphasize that such spike train correlations are an inevitable consequence of two neurons being part of the same network and sharing some synaptic input. For non-linear neuron models, however, explicit correlation functions are difficult to compute analytically, and perturbative methods work only for weak shared input. In order to treat strong correlations, we suggest here an alternative non-perturbative method. Specifically, we study the case of two leaky integrate-and-fire neurons with strong shared input. Correlation functions derived from simulated spike trains fit our theoretical predictions very accurately. Using our method, we computed the non-linear correlation transfer as well as correlation functions that are asymmetric due to inhomogeneous intrinsic parameters or unequal input.

Empirical transfer functions: Application to determination of outermost core velocity structure using SmKS phases

NASA Astrophysics Data System (ADS)

Alexandrakis, Catherine; Eaton, David W.

2007-11-01

SmKS waves provide good resolution of outer-core velocity structure, but are affected by heterogeneity in the D'' region. We have developed an Empirical Transfer Function (ETF) technique that transforms a reference pulse (here, SmKS) into a target waveform (SKKS) by: (1) time-windowing the respective pulses, (2) applying Wiener deconvolution, and (3) convolving the output with a Gaussian waveform. Common source and path effects are implicitly removed by this process. We combine ETFs from 446 broadband seismograms to produce a global stack, from which S3KS-SKKS differential time can be measured accurately. As a result of stacking, the scatter in our measurements (0.43 s) is much less than the 1.29 s scatter in previous compilations. Although our data do not uniquely constrain outermost core velocities, we show that the fit of most standard models can be improved by perturbing the outermost core velocity. Our best-fitting model is formed using IASP91 with PREM-like velocity at the top of the core.

Quantification of the heat exchange of chicken eggs.

PubMed

Van Brecht, A; Hens, H; Lemaire, J L; Aerts, J M; Degraeve, P; Berckmans, D

2005-03-01

In the incubation process of domestic avian eggs, the development of the embryo is mainly influenced by the physical microenvironment around the egg. Only small spatiotemporal deviations in the optimal incubator air temperature are allowed to optimize hatchability and hatchling quality. The temperature of the embryo depends on 3 factors: (1) the air temperature, (2) the exchange of heat between the egg and its microenvironment and (3) the time-variable heat production of the embryo. Theoretical estimates on the heat exchange between an egg and its physical microenvironment are approximated using equations that assume an approximate spherical shape for eggs. The objective of this research was to determine the heat transfer between the eggshell and its microenvironment and then compare this value to various theoretical estimates. By using experimental data, the overall and the convective heat transfer coefficients were determined as a function of heat production, air humidity, air speed, and air temperature. Heat transfer was not affected by air humidity but solely by air temperature, embryonic heat generation, and air speed and flow around eggs. Also, heat transfer in forced-air incubators occurs mainly by convective heat loss, which is dependent on the speed of airflow. A vertical airflow is more efficient than a horizontal airflow in transferring heat from the egg. We showed that describing an egg as a sphere underestimated convective heat transfer by 33% and was, therefore, too simplistic to accurately assess actual heat transfer from real eggs.

The Accuracy of Two-Way Satellite Time Transfer Calibrations

DTIC Science & Technology

2005-01-01

20392, USA Abstract Results from successive calibrations of Two-Way Satellite Time and Frequency Transfer ( TWSTFT ) operational equipment at...USNO and five remote stations using portable TWSTFT equipment are analyzed for internal and external errors, finding an average random error of ±0.35...most accurate means of operational long-distance time transfer are Two-Way Satellite Time and Frequency Transfer ( TWSTFT ) and carrier-phase GPS

General Purpose Fortran Program for Discrete-Ordinate-Method Radiative Transfer in Scattering and Emitting Layered Media: An Update of DISORT

NASA Technical Reports Server (NTRS)

Tsay, Si-Chee; Stamnes, Knut; Wiscombe, Warren; Laszlo, Istvan; Einaudi, Franco (Technical Monitor)

2000-01-01

This update reports a state-of-the-art discrete ordinate algorithm for monochromatic unpolarized radiative transfer in non-isothermal, vertically inhomogeneous, but horizontally homogeneous media. The physical processes included are Planckian thermal emission, scattering with arbitrary phase function, absorption, and surface bidirectional reflection. The system may be driven by parallel or isotropic diffuse radiation incident at the top boundary, as well as by internal thermal sources and thermal emission from the boundaries. Radiances, fluxes, and mean intensities are returned at user-specified angles and levels. DISORT has enjoyed considerable popularity in the atmospheric science and other communities since its introduction in 1988. Several new DISORT features are described in this update: intensity correction algorithms designed to compensate for the 8-M forward-peak scaling and obtain accurate intensities even in low orders of approximation; a more general surface bidirectional reflection option; and an exponential-linear approximation of the Planck function allowing more accurate solutions in the presence of large temperature gradients. DISORT has been designed to be an exemplar of good scientific software as well as a program of intrinsic utility. An extraordinary effort has been made to make it numerically well-conditioned, error-resistant, and user-friendly, and to take advantage of robust existing software tools. A thorough test suite is provided to verify the program both against published results, and for consistency where there are no published results. This careful attention to software design has been just as important in DISORT's popularity as its powerful algorithmic content.

Thermoregulation and the determinants of heat transfer in Colias butterflies.

PubMed

Kingsolver, Joel G; Moffat, Robert J

1982-04-01

As a means of exploring behavioral and morphological adaptations for thermoregulation in Colias butterflies, convective heat transfer coefficients of real and model butterflies were measured in a wind tunnel as a function of wind speed and body orientation (yaw angle). Results are reported in terms of a dimensionless heat transfer coefficient (Nusselt number, Nu) and a dimensionless wind speed (Reynolds number, Re), for a wind speed range typical of that experienced by basking Colias in the field. The resultant Nusselt-Reynolds (Nu-Re) plots thus indicate the rates of heat transfer by forced convection as a function of wind speed for particular model geometries.For Reynolds numbers throughout the measured range, Nusselt numbers for C. eurytheme butterflies are consistently lower than those for long cylinders, and are independent of yaw angle. There is significant variation among individual butterflies in heat transfer coefficients throughout the Re range. Model butterflies without artificial fur have Nu-Re relations similar to those for cylinders. Heat transfer in these models depends upon yaw angle, with higher heat transfer at intermediate yaw angles (30-60°); these yaw effects increase with increasing Reynolds number. Models with artificial fur, like real Colias, have Nusselt numbers which are consistently lower than those for models without fur at given Reynolds numbers throughout the Re range. Unlike real Colias, however, the models with fur do show yaw angle effects similar to those for models without fur.The independence of heat loss from yaw angle for real Colias is consistent with field observations indicating no behavioral orientation to wind direction. The presence of fur on the models reduces heat loss but does not affect yaw dependence. The large individual variation in heat transfer coefficients among butterflies is probably due to differences in fur characteristics rather than to differences in wing morphology.Finally, a physical model of a butterfly was constructed which accurately simulates the body temperatures of basking Colias in the field for a variety of radiation and wind velocity conditions. The success of the butterfly simulator in mimicking Colias thermal characteristics confirms our preliminary understanding of the physical bases for and heat transfer mechanisms underlying thermoregulatory adaptations in these butterflies.

A three-dimensional study of the musculotendinous and neurovascular architecture of the gracilis muscle: application to functional muscle transfer.

PubMed

Fattah, A Y; Ravichandiran, K; Zuker, R M; Agur, A M R

2013-09-01

Muscle transfer is used to restore function typically using a single vector of contraction. Although its use with two independently functional muscular units has been employed, in order to refine this concept we endeavoured to detail the intramuscular anatomy of gracilis, a muscle commonly used for transfer. A novel method to capture intramuscular fibre bundle and neurovascular arrangement was used to create a three-dimensional (3D) digital model that allowed for accurate representation of the relationships between all the intramuscular structures to facilitate flap planning. Twenty gracilis muscles were harvested from 15 cadavers. All components of the muscle were digitised using a Microscribe G2 Digitiser. The data were exported to the 3D animation software Autodesk(®) Maya(®) 2012 whereupon it was rendered into a 3D model that can be exported as static images or videos. Neurovascular anatomy and muscle architecture were analysed from these models, and fibre bundle length, pennation angle and physiological cross-sectional area were calculated from digitised data. The muscle is composed of a variable number of distinct longitudinal segments with muscle fibres spiralling onto the tendon. The main artery to the muscle has three main intramuscular patterns of distribution. The venae comitantes drain discrete zones without intramuscular macroscopic anastomoses. The minor pedicles form an anastomotic chain along the anterior border of the muscle and all vessels were biased to the deep surface. The nerve is related to the vessels in a variable manner and both run between longitudinal muscular compartments. The digitisation technique may be used to advance knowledge of intramuscular architecture and it demonstrated that the gracilis muscle is comprised of four to seven muscular compartments, each representing a functional unit that may theoretically be differentially activated and could be harnessed for more sophisticated muscle transfers. Copyright © 2013 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

Accurate Time/Frequency Transfer Method Using Bi-Directional WDM Transmission

NASA Technical Reports Server (NTRS)

Imaoka, Atsushi; Kihara, Masami

1996-01-01

An accurate time transfer method is proposed using b-directional wavelength division multiplexing (WDM) signal transmission along a single optical fiber. This method will be used in digital telecommunication networks and yield a time synchronization accuracy of better than 1 ns for long transmission lines over several tens of kilometers. The method can accurately measure the difference in delay between two wavelength signals caused by the chromatic dispersion of the fiber in conventional simple bi-directional dual-wavelength frequency transfer methods. We describe the characteristics of this difference in delay and then show that the accuracy of the delay measurements can be obtained below 0.1 ns by transmitting 156 Mb/s times reference signals of 1.31 micrometer and 1.55 micrometers along a 50 km fiber using the proposed method. The sub-nanosecond delay measurement using the simple bi-directional dual-wavelength transmission along a 100 km fiber with a wavelength spacing of 1 nm in the 1.55 micrometer range is also shown.

Accurate radiative transfer calculations for layered media.

PubMed

Selden, Adrian C

2016-07-01

Simple yet accurate results for radiative transfer in layered media with discontinuous refractive index are obtained by the method of K-integrals. These are certain weighted integrals applied to the angular intensity distribution at the refracting boundaries. The radiative intensity is expressed as the sum of the asymptotic angular intensity distribution valid in the depth of the scattering medium and a transient term valid near the boundary. Integrated boundary equations are obtained, yielding simple linear equations for the intensity coefficients, enabling the angular emission intensity and the diffuse reflectance (albedo) and transmittance of the scattering layer to be calculated without solving the radiative transfer equation directly. Examples are given of half-space, slab, interface, and double-layer calculations, and extensions to multilayer systems are indicated. The K-integral method is orders of magnitude more accurate than diffusion theory and can be applied to layered scattering media with a wide range of scattering albedos, with potential applications to biomedical and ocean optics.

Classical Trajectory Study of Collision Energy Transfer between Ne and C2H2 on a Full Dimensional Accurate Potential Energy Surface.

PubMed

Liu, Yang; Huang, Yin; Ma, Jianyi; Li, Jun

2018-02-15

Collision energy transfer plays an important role in gas phase reaction kinetics and relaxation of excited molecules. However, empirical treatments are generally adopted for the collisional energy transfer in the master equation based approach. In this work, classical trajectory approach is employed to investigate the collision energy transfer dynamics in the C 2 H 2 -Ne system. The entire potential energy surface is described as the sum of the C 2 H 2 potential and interaction potential between C 2 H 2 and Ne. It is highlighted that both parts of the entire potential are highly accurate. In particular, the interaction potential is fit to ∼41 300 configurations determined at the level of CCSD(T)-F12a/cc-pCVTZ-F12 with the counterpoise correction. Collision energy transfer dynamics are then carried out on this benchmark potential and the widely used Lennard-Jones and Buckingham interaction potentials. Energy transfers and related probability densities at different collisional energies are reported and discussed.

Effects of Freestream Turbulence on Turbine Blade Heat Transfer

NASA Technical Reports Server (NTRS)

Boyle, Robert J.; Giel, Paul W.; Ames, Forrest E.

2004-01-01

Experiments have shown that moderate turbulence levels can nearly double turbine blade stagnation region heat transfer. Data have also shown that heat transfer is strongly affected by the scale of turbulence as well as its level. In addition to the stagnation region, turbulence is often seen to increase pressure surface heat transfer. This is especially evident at low to moderate Reynolds numbers. Vane and rotor stagnation region, and vane pressure surface heat transfer augmentation is often seen in a pre-transition environment. Accurate predictions of transition and relaminarization are critical to accurately predicting blade surface heat transfer. An approach is described which incorporates the effects of both turbulence level and scale into a CFD analysis. The model is derived from experimental data for cylindrical and elliptical leadng edges. Results using this model are compared to experimental data for both vane and rotor geometries. The comparisons are made to illustrate that using a model which includes the effects of turbulence length scale improves agreement with data, and to illustrate where improvements in the modeling are needed.

Scaling for quantum tunneling current in nano- and subnano-scale plasmonic junctions.

PubMed

Zhang, Peng

2015-05-19

When two conductors are separated by a sufficiently thin insulator, electrical current can flow between them by quantum tunneling. This paper presents a self-consistent model of tunneling current in a nano- and subnano-meter metal-insulator-metal plasmonic junction, by including the effects of space charge and exchange correlation potential. It is found that the J-V curve of the junction may be divided into three regimes: direct tunneling, field emission, and space-charge-limited regime. In general, the space charge inside the insulator reduces current transfer across the junction, whereas the exchange-correlation potential promotes current transfer. It is shown that these effects may modify the current density by orders of magnitude from the widely used Simmons' formula, which is only accurate for a limited parameter space (insulator thickness > 1 nm and barrier height > 3 eV) in the direct tunneling regime. The proposed self-consistent model may provide a more accurate evaluation of the tunneling current in the other regimes. The effects of anode emission and material properties (i.e. work function of the electrodes, electron affinity and permittivity of the insulator) are examined in detail in various regimes. Our simple model and the general scaling for tunneling current may provide insights to new regimes of quantum plasmonics.

Reversible Self-Actuated Thermo-Responsive Pore Membrane

PubMed Central

Park, Younggeun; Gutierrez, Maria Paz; Lee, Luke P.

2016-01-01

Smart membranes, which can selectively control the transfer of light, air, humidity and temperature, are important to achieve indoor climate regulation. Even though reversible self-actuation of smart membranes is desirable in large-scale, reversible self-regulation remains challenging. Specifically, reversible 100% opening/closing of pore actuation showing accurate responsiveness, reproducibility and structural flexibility, including uniform structure assembly, is currently very difficult. Here, we report a reversible, thermo-responsive self-activated pore membrane that achieves opening and closing of pores. The reversible, self-actuated thermo-responsive pore membrane was fabricated with hybrid materials of poly (N-isopropylacrylamide), (PNIPAM) within polytetrafluoroethylene (PTFE) to form a multi-dimensional pore array. Using Multiphysics simulation of heat transfer and structural mechanics based on finite element analysis, we demonstrated that pore opening and closing dynamics can be self-activated at environmentally relevant temperatures. Temperature cycle characterizations of the pore structure revealed 100% opening ratio at T = 40 °C and 0% opening ratio at T = 20 °C. The flexibility of the membrane showed an accurate temperature-responsive function at a maximum bending angle of 45°. Addressing the importance of self-regulation, this reversible self-actuated thermo-responsive pore membrane will advance the development of future large-scale smart membranes needed for sustainable indoor climate control. PMID:27991563

Bio-Optics of the Chesapeake Bay from Measurements and Radiative Transfer Calculations

NASA Technical Reports Server (NTRS)

Tzortziou, Maria; Herman, Jay R.; Gallegos, Charles L.; Neale, Patrick J.; Subramaniam, Ajit; Harding, Lawrence W., Jr.; Ahmad, Ziauddin

2005-01-01

We combined detailed bio-optical measurements and radiative transfer (RT) modeling to perform an optical closure experiment for optically complex and biologically productive Chesapeake Bay waters. We used this experiment to evaluate certain assumptions commonly used when modeling bio-optical processes, and to investigate the relative importance of several optical characteristics needed to accurately model and interpret remote sensing ocean-color observations in these Case 2 waters. Direct measurements were made of the magnitude, variability, and spectral characteristics of backscattering and absorption that are critical for accurate parameterizations in satellite bio-optical algorithms and underwater RT simulations. We found that the ratio of backscattering to total scattering in the mid-mesohaline Chesapeake Bay varied considerably depending on particulate loading, distance from land, and mixing processes, and had an average value of 0.0128 at 530 nm. Incorporating information on the magnitude, variability, and spectral characteristics of particulate backscattering into the RT model, rather than using a volume scattering function commonly assumed for turbid waters, was critical to obtaining agreement between RT calculations and measured radiometric quantities. In situ measurements of absorption coefficients need to be corrected for systematic overestimation due to scattering errors, and this correction commonly employs the assumption that absorption by particulate matter at near infrared wavelengths is zero.

Scaling for quantum tunneling current in nano- and subnano-scale plasmonic junctions

PubMed Central

Zhang, Peng

2015-01-01

When two conductors are separated by a sufficiently thin insulator, electrical current can flow between them by quantum tunneling. This paper presents a self-consistent model of tunneling current in a nano- and subnano-meter metal-insulator-metal plasmonic junction, by including the effects of space charge and exchange correlation potential. It is found that the J-V curve of the junction may be divided into three regimes: direct tunneling, field emission, and space-charge-limited regime. In general, the space charge inside the insulator reduces current transfer across the junction, whereas the exchange-correlation potential promotes current transfer. It is shown that these effects may modify the current density by orders of magnitude from the widely used Simmons’ formula, which is only accurate for a limited parameter space (insulator thickness > 1 nm and barrier height > 3 eV) in the direct tunneling regime. The proposed self-consistent model may provide a more accurate evaluation of the tunneling current in the other regimes. The effects of anode emission and material properties (i.e. work function of the electrodes, electron affinity and permittivity of the insulator) are examined in detail in various regimes. Our simple model and the general scaling for tunneling current may provide insights to new regimes of quantum plasmonics. PMID:25988951

Reversible Self-Actuated Thermo-Responsive Pore Membrane

NASA Astrophysics Data System (ADS)

Park, Younggeun; Gutierrez, Maria Paz; Lee, Luke P.

2016-12-01

Smart membranes, which can selectively control the transfer of light, air, humidity and temperature, are important to achieve indoor climate regulation. Even though reversible self-actuation of smart membranes is desirable in large-scale, reversible self-regulation remains challenging. Specifically, reversible 100% opening/closing of pore actuation showing accurate responsiveness, reproducibility and structural flexibility, including uniform structure assembly, is currently very difficult. Here, we report a reversible, thermo-responsive self-activated pore membrane that achieves opening and closing of pores. The reversible, self-actuated thermo-responsive pore membrane was fabricated with hybrid materials of poly (N-isopropylacrylamide), (PNIPAM) within polytetrafluoroethylene (PTFE) to form a multi-dimensional pore array. Using Multiphysics simulation of heat transfer and structural mechanics based on finite element analysis, we demonstrated that pore opening and closing dynamics can be self-activated at environmentally relevant temperatures. Temperature cycle characterizations of the pore structure revealed 100% opening ratio at T = 40 °C and 0% opening ratio at T = 20 °C. The flexibility of the membrane showed an accurate temperature-responsive function at a maximum bending angle of 45°. Addressing the importance of self-regulation, this reversible self-actuated thermo-responsive pore membrane will advance the development of future large-scale smart membranes needed for sustainable indoor climate control.

Topics in the two-dimensional sampling and reconstruction of images. [in remote sensing

NASA Technical Reports Server (NTRS)

Schowengerdt, R.; Gray, S.; Park, S. K.

1984-01-01

Mathematical analysis of image sampling and interpolative reconstruction is summarized and extended to two dimensions for application to data acquired from satellite sensors such as the Thematic mapper and SPOT. It is shown that sample-scene phase influences the reconstruction of sampled images, adds a considerable blur to the average system point spread function, and decreases the average system modulation transfer function. It is also determined that the parametric bicubic interpolator with alpha = -0.5 is more radiometrically accurate than the conventional bicubic interpolator with alpha = -1, and this at no additional cost. Finally, the parametric bicubic interpolator is found to be suitable for adaptive implementation by relating the alpha parameter to the local frequency content of an image.

Evaluating Functional Annotations of Enzymes Using the Gene Ontology.

PubMed

Holliday, Gemma L; Davidson, Rebecca; Akiva, Eyal; Babbitt, Patricia C

2017-01-01

The Gene Ontology (GO) (Ashburner et al., Nat Genet 25(1):25-29, 2000) is a powerful tool in the informatics arsenal of methods for evaluating annotations in a protein dataset. From identifying the nearest well annotated homologue of a protein of interest to predicting where misannotation has occurred to knowing how confident you can be in the annotations assigned to those proteins is critical. In this chapter we explore what makes an enzyme unique and how we can use GO to infer aspects of protein function based on sequence similarity. These can range from identification of misannotation or other errors in a predicted function to accurate function prediction for an enzyme of entirely unknown function. Although GO annotation applies to any gene products, we focus here a describing our approach for hierarchical classification of enzymes in the Structure-Function Linkage Database (SFLD) (Akiva et al., Nucleic Acids Res 42(Database issue):D521-530, 2014) as a guide for informed utilisation of annotation transfer based on GO terms.

Multiconfiguration pair-density functional theory investigation of the electronic spectrum of MnO4-

NASA Astrophysics Data System (ADS)

Sharma, Prachi; Truhlar, Donald G.; Gagliardi, Laura

2018-03-01

The electronic spectrum of permanganate ions contains various highly multiconfigurational ligand-to-metal charge transfer states and is notorious for being one of the most challenging systems to be treated by quantum-chemical methods. Here we studied the lowest nine vertical excitation energies using restricted active space second-order perturbation theory (RASPT2) and multiconfiguration pair-density functional theory (MC-PDFT) to test and compare these two theories in computing such a challenging spectrum. The results are compared to literature data, including time-dependent density functional theory, completely renormalized equation-of-motion couple-cluster theory with single and double excitations, symmetry-adapted-cluster configuration interaction, and experimental spectra in the gas phase and solution. Our results show that MC-PDFT accurately predicts the spectrum at a significantly reduced cost as compared to RASPT2.

Multiconfiguration pair-density functional theory investigation of the electronic spectrum of MnO4.

PubMed

Sharma, Prachi; Truhlar, Donald G; Gagliardi, Laura

2018-03-28

The electronic spectrum of permanganate ions contains various highly multiconfigurational ligand-to-metal charge transfer states and is notorious for being one of the most challenging systems to be treated by quantum-chemical methods. Here we studied the lowest nine vertical excitation energies using restricted active space second-order perturbation theory (RASPT2) and multiconfiguration pair-density functional theory (MC-PDFT) to test and compare these two theories in computing such a challenging spectrum. The results are compared to literature data, including time-dependent density functional theory, completely renormalized equation-of-motion couple-cluster theory with single and double excitations, symmetry-adapted-cluster configuration interaction, and experimental spectra in the gas phase and solution. Our results show that MC-PDFT accurately predicts the spectrum at a significantly reduced cost as compared to RASPT2.

Predicting multicellular function through multi-layer tissue networks

PubMed Central

Zitnik, Marinka; Leskovec, Jure

2017-01-01

Abstract Motivation: Understanding functions of proteins in specific human tissues is essential for insights into disease diagnostics and therapeutics, yet prediction of tissue-specific cellular function remains a critical challenge for biomedicine. Results: Here, we present OhmNet, a hierarchy-aware unsupervised node feature learning approach for multi-layer networks. We build a multi-layer network, where each layer represents molecular interactions in a different human tissue. OhmNet then automatically learns a mapping of proteins, represented as nodes, to a neural embedding-based low-dimensional space of features. OhmNet encourages sharing of similar features among proteins with similar network neighborhoods and among proteins activated in similar tissues. The algorithm generalizes prior work, which generally ignores relationships between tissues, by modeling tissue organization with a rich multiscale tissue hierarchy. We use OhmNet to study multicellular function in a multi-layer protein interaction network of 107 human tissues. In 48 tissues with known tissue-specific cellular functions, OhmNet provides more accurate predictions of cellular function than alternative approaches, and also generates more accurate hypotheses about tissue-specific protein actions. We show that taking into account the tissue hierarchy leads to improved predictive power. Remarkably, we also demonstrate that it is possible to leverage the tissue hierarchy in order to effectively transfer cellular functions to a functionally uncharacterized tissue. Overall, OhmNet moves from flat networks to multiscale models able to predict a range of phenotypes spanning cellular subsystems. Availability and implementation: Source code and datasets are available at http://snap.stanford.edu/ohmnet. Contact: jure@cs.stanford.edu PMID:28881986

Infinite order sudden approximation for rotational energy transfer in gaseous mixtures

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

Goldflam, R.; Green, S.; Kouri, D.J.

1977-11-01

Rotational energy transfer in gaseous mixtures has been considered within the framework of the infinite order sudden (IOS) approximation. A new derivation of the IOS from the coupled states Lippmann--Schwinger equation is given. This approach shows the relation between the IOS and CS T matrices and also shows in a rather transparent fashion Sencrest's result that the IOS method does not truncate closed channels but rather employs a closure relation to sum over all rotor states. The general CS effective cross section formula for relaxation processes is used, along with the IOS approximation to the CS T matrix, to derivemore » the general IOS effctive cross section.Factorization permits one to calculate other types of cross sections if any one type of cross section has been obtained by some procedure. The functional form can also be used to compact data. This formalism has been applied to calculate pressure broadening for the systems HD--He, HCl--He, CO--He, HCN--He, HCl--Ar, and CO/sub 2/--Ar. To test the IOS approximation, comparisons have been made to the CS results, which are known to be accurate for all these systems. The IOS approximation is found to be very accurate whenever the rotor spacings are small compared to the kinetic energy, provided closed channels do not play too great a role. For the systems CO--He, HCN--He, and CO/sub 2/--Ar, these conditions are well satisfied and the IOS is found to yield results accurate to within 10%--15%.« less

ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc05720a Click here for additional data file.

PubMed Central

Smith, J. S.

2017-01-01

Deep learning is revolutionizing many areas of science and technology, especially image, text, and speech recognition. In this paper, we demonstrate how a deep neural network (NN) trained on quantum mechanical (QM) DFT calculations can learn an accurate and transferable potential for organic molecules. We introduce ANAKIN-ME (Accurate NeurAl networK engINe for Molecular Energies) or ANI for short. ANI is a new method designed with the intent of developing transferable neural network potentials that utilize a highly-modified version of the Behler and Parrinello symmetry functions to build single-atom atomic environment vectors (AEV) as a molecular representation. AEVs provide the ability to train neural networks to data that spans both configurational and conformational space, a feat not previously accomplished on this scale. We utilized ANI to build a potential called ANI-1, which was trained on a subset of the GDB databases with up to 8 heavy atoms in order to predict total energies for organic molecules containing four atom types: H, C, N, and O. To obtain an accelerated but physically relevant sampling of molecular potential surfaces, we also proposed a Normal Mode Sampling (NMS) method for generating molecular conformations. Through a series of case studies, we show that ANI-1 is chemically accurate compared to reference DFT calculations on much larger molecular systems (up to 54 atoms) than those included in the training data set. PMID:28507695

Machine Learning of Accurate Energy-Conserving Molecular Force Fields

NASA Astrophysics Data System (ADS)

Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel; Poltavsky, Igor; Schütt, Kristof; Müller, Klaus-Robert; GDML Collaboration

Efficient and accurate access to the Born-Oppenheimer potential energy surface (PES) is essential for long time scale molecular dynamics (MD) simulations. Using conservation of energy - a fundamental property of closed classical and quantum mechanical systems - we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio MD trajectories (AIMD). The GDML implementation is able to reproduce global potential-energy surfaces of intermediate-size molecules with an accuracy of 0.3 kcal/mol for energies and 1 kcal/mol/Å for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, malonaldehyde, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative MD simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods.

Optimal spatial filtering and transfer function for SAR ocean wave spectra

NASA Technical Reports Server (NTRS)

Goldfinger, A. D.; Beal, R. C.; Tilley, D. G.

1981-01-01

The Seasat Synthetic Aperture Radar (SAR) has proved to be an instrument of great utility in the sensing of ocean conditions on a global scale. An analysis of oceanographic and atmospheric aspects of Seasat data has shown that the features observed in the imagery are linked to ocean phenomena such as storm sources and their resulting swell systems. However, there remains one central problem which has not been satisfactorily solved to date. This problem is related to the accurate measurement of wind-generated ocean wave spectra. Investigations addressing this problem are currently being conducted. The problem has two parts, including the accurate measurement of the image spectra and the inference of actual surface wave spectra from these measurements. A description is presented of the progress made towards solving the first part of the problem, taking into account a digital rather than optical computation of the image transforms.

PRELIMINARY COUPLING OF THE MONTE CARLO CODE OPENMC AND THE MULTIPHYSICS OBJECT-ORIENTED SIMULATION ENVIRONMENT (MOOSE) FOR ANALYZING DOPPLER FEEDBACK IN MONTE CARLO SIMULATIONS

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

Matthew Ellis; Derek Gaston; Benoit Forget

In recent years the use of Monte Carlo methods for modeling reactors has become feasible due to the increasing availability of massively parallel computer systems. One of the primary challenges yet to be fully resolved, however, is the efficient and accurate inclusion of multiphysics feedback in Monte Carlo simulations. The research in this paper presents a preliminary coupling of the open source Monte Carlo code OpenMC with the open source Multiphysics Object-Oriented Simulation Environment (MOOSE). The coupling of OpenMC and MOOSE will be used to investigate efficient and accurate numerical methods needed to include multiphysics feedback in Monte Carlo codes.more » An investigation into the sensitivity of Doppler feedback to fuel temperature approximations using a two dimensional 17x17 PWR fuel assembly is presented in this paper. The results show a functioning multiphysics coupling between OpenMC and MOOSE. The coupling utilizes Functional Expansion Tallies to accurately and efficiently transfer pin power distributions tallied in OpenMC to unstructured finite element meshes used in MOOSE. The two dimensional PWR fuel assembly case also demonstrates that for a simplified model the pin-by-pin doppler feedback can be adequately replicated by scaling a representative pin based on pin relative powers.« less

Oxygen transfer rate estimation in oxidation ditches from clean water measurements.

PubMed

Abusam, A; Keesman, K J; Meinema, K; Van Straten, G

2001-06-01

Standard methods for the determination of oxygen transfer rate are based on assumptions that are not valid for oxidation ditches. This paper presents a realistic and simple new method to be used in the estimation of oxygen transfer rate in oxidation ditches from clean water measurements. The new method uses a loop-of-CSTRs model, which can be easily incorporated within control algorithms, for modelling oxidation ditches. Further, this method assumes zero oxygen transfer rates (KLa) in the unaerated CSTRs. Application of a formal estimation procedure to real data revealed that the aeration constant (k = KLaVA, where VA is the volume of the aerated CSTR) can be determined significantly more accurately than KLa and VA. Therefore, the new method estimates k instead of KLa. From application to real data, this method proved to be more accurate than the commonly used Dutch standard method (STORA, 1980).

Can AERONET data be used to accurately model the monochromatic beam and circumsolar irradiances under cloud-free conditions in desert environment?

NASA Astrophysics Data System (ADS)

Eissa, Y.; Blanc, P.; Wald, L.; Ghedira, H.

2015-07-01

Routine measurements of the beam irradiance at normal incidence (DNI) include the irradiance originating from within the extent of the solar disc only (DNIS) whose angular extent is 0.266° ± 1.7 %, and that from a larger circumsolar region, called the circumsolar normal irradiance (CSNI). This study investigates if the spectral aerosol optical properties of the AERONET stations are sufficient for an accurate modelling of the monochromatic DNIS and CSNI under cloud-free conditions in a desert environment. The data from an AERONET station in Abu Dhabi, United Arab Emirates, and a collocated Sun and Aureole Measurement (SAM) instrument which offers reference measurements of the monochromatic profile of solar radiance, were exploited. Using the AERONET data both the radiative transfer models libRadtran and SMARTS offer an accurate estimate of the monochromatic DNIS, with a relative root mean square error (RMSE) of 5 %, a relative bias of +1 % and acoefficient of determination greater than 0.97. After testing two configurations in SMARTS and three in libRadtran for modelling the monochromatic CSNI, libRadtran exhibits the most accurate results when the AERONET aerosol phase function is presented as a Two Term Henyey-Greenstein phase function. In this case libRadtran exhibited a relative RMSE and a bias of respectively 22 and -19 % and a coefficient of determination of 0.89. The results are promising and pave the way towards reporting the contribution of the broadband circumsolar irradiance to standard DNI measurements.

Real-Time Quantum Dynamics of Long-Range Electronic Excitation Transfer in Plasmonic Nanoantennas.

PubMed

Ilawe, Niranjan V; Oviedo, M Belén; Wong, Bryan M

2017-08-08

Using large-scale, real-time, quantum dynamics calculations, we present a detailed analysis of electronic excitation transfer (EET) mechanisms in a multiparticle plasmonic nanoantenna system. Specifically, we utilize real-time, time-dependent, density functional tight binding (RT-TDDFTB) to provide a quantum-mechanical description (at an electronic/atomistic level of detail) for characterizing and analyzing these systems, without recourse to classical approximations. We also demonstrate highly long-range electronic couplings in these complex systems and find that the range of these couplings is more than twice the conventional cutoff limit considered by Förster resonance energy transfer (FRET)-based approaches. Furthermore, we attribute these unusually long-ranged electronic couplings to the coherent oscillations of conduction electrons in plasmonic nanoparticles. This long-range nature of plasmonic interactions has important ramifications for EET; in particular, we show that the commonly used "nearest-neighbor" FRET model is inadequate for accurately characterizing EET even in simple plasmonic antenna systems. These findings provide a real-time, quantum-mechanical perspective for understanding EET mechanisms and provide guidance in enhancing plasmonic properties in artificial light-harvesting systems.

SPICODYN: A Toolbox for the Analysis of Neuronal Network Dynamics and Connectivity from Multi-Site Spike Signal Recordings.

PubMed

Pastore, Vito Paolo; Godjoski, Aleksandar; Martinoia, Sergio; Massobrio, Paolo

2018-01-01

We implemented an automated and efficient open-source software for the analysis of multi-site neuronal spike signals. The software package, named SPICODYN, has been developed as a standalone windows GUI application, using C# programming language with Microsoft Visual Studio based on .NET framework 4.5 development environment. Accepted input data formats are HDF5, level 5 MAT and text files, containing recorded or generated time series spike signals data. SPICODYN processes such electrophysiological signals focusing on: spiking and bursting dynamics and functional-effective connectivity analysis. In particular, for inferring network connectivity, a new implementation of the transfer entropy method is presented dealing with multiple time delays (temporal extension) and with multiple binary patterns (high order extension). SPICODYN is specifically tailored to process data coming from different Multi-Electrode Arrays setups, guarantying, in those specific cases, automated processing. The optimized implementation of the Delayed Transfer Entropy and the High-Order Transfer Entropy algorithms, allows performing accurate and rapid analysis on multiple spike trains from thousands of electrodes.

Generalized source Finite Volume Method for radiative transfer equation in participating media

NASA Astrophysics Data System (ADS)

Zhang, Biao; Xu, Chuan-Long; Wang, Shi-Min

2017-03-01

Temperature monitoring is very important in a combustion system. In recent years, non-intrusive temperature reconstruction has been explored intensively on the basis of calculating arbitrary directional radiative intensities. In this paper, a new method named Generalized Source Finite Volume Method (GSFVM) was proposed. It was based on radiative transfer equation and Finite Volume Method (FVM). This method can be used to calculate arbitrary directional radiative intensities and is proven to be accurate and efficient. To verify the performance of this method, six test cases of 1D, 2D, and 3D radiative transfer problems were investigated. The numerical results show that the efficiency of this method is close to the radial basis function interpolation method, but the accuracy and stability is higher than that of the interpolation method. The accuracy of the GSFVM is similar to that of the Backward Monte Carlo (BMC) algorithm, while the time required by the GSFVM is much shorter than that of the BMC algorithm. Therefore, the GSFVM can be used in temperature reconstruction and improvement on the accuracy of the FVM.

Investigating the Consistency of Models for Water Splitting Systems by Light and Voltage Modulated Techniques.

PubMed

Bertoluzzi, Luca; Bisquert, Juan

2017-01-05

The optimization of solar energy conversion devices relies on their accurate and nondestructive characterization. The small voltage perturbation techniques of impedance spectroscopy (IS) have proven to be very powerful to identify the main charge storage modes and charge transfer processes that control device operation. Here we establish the general connection between IS and light modulated techniques such as intensity modulated photocurrent (IMPS) and photovoltage spectroscopies (IMVS) for a general system that converts light to energy. We subsequently show how these techniques are related to the steady-state photocurrent and photovoltage and the external quantum efficiency. Finally, we express the IMPS and IMVS transfer functions in terms of the capacitive and resistive features of a general equivalent circuit of IS for the case of a photoanode used for solar fuel production. We critically discuss how much knowledge can be extracted from the combined use of those three techniques.

Impact of differences in the solar irradiance spectrum on surface reflectance retrieval with different radiative transfer codes

NASA Technical Reports Server (NTRS)

Staenz, K.; Williams, D. J.; Fedosejevs, G.; Teillet, P. M.

1995-01-01

Surface reflectance retrieval from imaging spectrometer data as acquired with the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) has become important for quantitative analysis. In order to calculate surface reflectance from remotely measured radiance, radiative transfer codes such as 5S and MODTRAN2 play an increasing role for removal of scattering and absorption effects of the atmosphere. Accurate knowledge of the exo-atmospheric solar irradiance (E(sub 0)) spectrum at the spectral resolution of the sensor is important for this purpose. The present study investigates the impact of differences in the solar irradiance function, as implemented in a modified version of 5S (M5S), 6S, and MODTRAN2, and as proposed by Green and Gao, on the surface reflectance retrieved from AVIRIS data. Reflectance measured in situ is used as a basis of comparison.

Quantifying data retention of perpendicular spin-transfer-torque magnetic random access memory chips using an effective thermal stability factor method

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

Thomas, Luc, E-mail: luc.thomas@headway.com; Jan, Guenole; Le, Son

The thermal stability of perpendicular Spin-Transfer-Torque Magnetic Random Access Memory (STT-MRAM) devices is investigated at chip level. Experimental data are analyzed in the framework of the Néel-Brown model including distributions of the thermal stability factor Δ. We show that in the low error rate regime important for applications, the effect of distributions of Δ can be described by a single quantity, the effective thermal stability factor Δ{sub eff}, which encompasses both the median and the standard deviation of the distributions. Data retention of memory chips can be assessed accurately by measuring Δ{sub eff} as a function of device diameter andmore » temperature. We apply this method to show that 54 nm devices based on our perpendicular STT-MRAM design meet our 10 year data retention target up to 120 °C.« less

PdnCO (n = 1,2): accurate Ab initio bond energies, geometries, and dipole moments and the applicability of density functional theory for fuel cell modeling.

PubMed

Schultz, Nathan E; Gherman, Benjamin F; Cramer, Christopher J; Truhlar, Donald G

2006-11-30

Electrode poisoning by CO is a major concern in fuel cells. As interest in applying computational methods to electrochemistry is increasing, it is important to understand the levels of theory required for reliable treatments of metal-CO interactions. In this paper we justify the use of relativistic effective core potentials for the treatment of PdCO and hence, by inference, for metal-CO interactions where the predominant bonding mechanism is charge transfer. We also sort out key issues involving basis sets and we recommend that bond energies of 17.2, 43.3, and 69.4 kcal/mol be used as the benchmark bond energy for dissociation of Pd2 into Pd atoms, PdCO into Pd and CO, and Pd2CO into Pd2 and CO, respectively. We calculated the dipole moments of PdCO and Pd2CO, and we recommend benchmark values of 2.49 and 2.81 D, respectively. Furthermore, we tested 27 density functionals for this system and found that only hybrid density functionals can qualitatively and quantitatively predict the nature of the sigma-donation/pi-back-donation mechanism that is associated with the Pd-CO and Pd2-CO bonds. The most accurate density functionals for the systems tested in this paper are O3LYP, OLYP, PW6B95, and PBEh.

Embedded correlated wavefunction schemes: theory and applications.

PubMed

Libisch, Florian; Huang, Chen; Carter, Emily A

2014-09-16

Conspectus Ab initio modeling of matter has become a pillar of chemical research: with ever-increasing computational power, simulations can be used to accurately predict, for example, chemical reaction rates, electronic and mechanical properties of materials, and dynamical properties of liquids. Many competing quantum mechanical methods have been developed over the years that vary in computational cost, accuracy, and scalability: density functional theory (DFT), the workhorse of solid-state electronic structure calculations, features a good compromise between accuracy and speed. However, approximate exchange-correlation functionals limit DFT's ability to treat certain phenomena or states of matter, such as charge-transfer processes or strongly correlated materials. Furthermore, conventional DFT is purely a ground-state theory: electronic excitations are beyond its scope. Excitations in molecules are routinely calculated using time-dependent DFT linear response; however applications to condensed matter are still limited. By contrast, many-electron wavefunction methods aim for a very accurate treatment of electronic exchange and correlation. Unfortunately, the associated computational cost renders treatment of more than a handful of heavy atoms challenging. On the other side of the accuracy spectrum, parametrized approaches like tight-binding can treat millions of atoms. In view of the different (dis-)advantages of each method, the simulation of complex systems seems to force a compromise: one is limited to the most accurate method that can still handle the problem size. For many interesting problems, however, compromise proves insufficient. A possible solution is to break up the system into manageable subsystems that may be treated by different computational methods. The interaction between subsystems may be handled by an embedding formalism. In this Account, we review embedded correlated wavefunction (CW) approaches and some applications. We first discuss our density functional embedding theory, which is formally exact. We show how to determine the embedding potential, which replaces the interaction between subsystems, at the DFT level. CW calculations are performed using a fixed embedding potential, that is, a non-self-consistent embedding scheme. We demonstrate this embedding theory for two challenging electron transfer phenomena: (1) initial oxidation of an aluminum surface and (2) hot-electron-mediated dissociation of hydrogen molecules on a gold surface. In both cases, the interaction between gas molecules and metal surfaces were treated by sophisticated CW techniques, with the remainder of the extended metal surface being treated by DFT. Our embedding approach overcomes the limitations of conventional Kohn-Sham DFT in describing charge transfer, multiconfigurational character, and excited states. From these embedding simulations, we gained important insights into fundamental processes that are crucial aspects of fuel cell catalysis (i.e., O2 reduction at metal surfaces) and plasmon-mediated photocatalysis by metal nanoparticles. Moreover, our findings agree very well with experimental observations, while offering new views into the chemistry. We finally discuss our recently formulated potential-functional embedding theory that provides a seamless, first-principles way to include back-action onto the environment from the embedded region.

An optimized knife-edge method for on-orbit MTF estimation of optical sensors using powell parameter fitting

NASA Astrophysics Data System (ADS)

Han, Lu; Gao, Kun; Gong, Chen; Zhu, Zhenyu; Guo, Yue

2017-08-01

On-orbit Modulation Transfer Function (MTF) is an important indicator to evaluate the performance of the optical remote sensors in a satellite. There are many methods to estimate MTF, such as pinhole method, slit method and so on. Among them, knife-edge method is quite efficient, easy-to-use and recommended in ISO12233 standard for the wholefrequency MTF curve acquisition. However, the accuracy of the algorithm is affected by Edge Spread Function (ESF) fitting accuracy significantly, which limits the range of application. So in this paper, an optimized knife-edge method using Powell algorithm is proposed to improve the ESF fitting precision. Fermi function model is the most popular ESF fitting model, yet it is vulnerable to the initial values of the parameters. Considering the characteristics of simple and fast convergence, Powell algorithm is applied to fit the accurate parameters adaptively with the insensitivity to the initial parameters. Numerical simulation results reveal the accuracy and robustness of the optimized algorithm under different SNR, edge direction and leaning angles conditions. Experimental results using images of the camera in ZY-3 satellite show that this method is more accurate than the standard knife-edge method of ISO12233 in MTF estimation.

17 CFR 240.17Ad-10 - Prompt posting of certificate detail to master securityholder files, maintenance of accurate...

Code of Federal Regulations, 2010 CFR

2010-04-01

... between co-transfer agents and recordkeeping transfer agents, maintenance of current control book... Supervised Investment Bank Holding Company Rules § 240.17Ad-10 Prompt posting of certificate detail to master... recordkeeping transfer agents, maintenance of current control book, retention of certificate detail and “buy-in...

Prediction of mass transfer coefficient in rotating bed contactor (Higee) using artificial neural network

NASA Astrophysics Data System (ADS)

Saha, Dipendu

2009-02-01

The feasibility of drastically reducing the contactor size in mass transfer processes utilizing centrifugal field has generated a lot of interest in rotating packed bed (Higee). Various investigators have proposed correlations to predict mass transfer coefficients in Higee, but, none of the correlations was more than 20-30% accurate. In this work, artificial neural network (ANN) is employed for predicting mass transfer coefficient data. Results show that ANN provides better estimation of mass transfer coefficient with accuracy 5-15%.

XML Storage for Magnetotelluric Transfer Functions: Towards a Comprehensive Online Reference Database

NASA Astrophysics Data System (ADS)

Kelbert, A.; Blum, C.

2015-12-01

Magnetotelluric Transfer Functions (MT TFs) represent most of the information about Earth electrical conductivity found in the raw electromagnetic data, providing inputs for further inversion and interpretation. To be useful for scientific interpretation, they must also contain carefully recorded metadata. Making these data available in a discoverable and citable fashion would provide the most benefit to the scientific community, but such a development requires that the metadata is not only present in the file but is also searchable. The most commonly used MT TF format to date, the historical Society of Exploration Geophysicists Electromagnetic Data Interchange Standard 1987 (EDI), no longer supports some of the needs of modern magnetotellurics, most notably accurate error bars recording. Moreover, the inherent heterogeneity of EDI's and other historic MT TF formats has mostly kept the community away from healthy data sharing practices. Recently, the MT team at Oregon State University in collaboration with IRIS Data Management Center developed a new, XML-based format for MT transfer functions, and an online system for long-term storage, discovery and sharing of MT TF data worldwide (IRIS SPUD; www.iris.edu/spud/emtf). The system provides a query page where all of the MT transfer functions collected within the USArray MT experiment and other field campaigns can be searched for and downloaded; an automatic on-the-fly conversion to the historic EDI format is also included. To facilitate conversion to the new, more comprehensive and sustainable, XML format for MT TFs, and to streamline inclusion of historic data into the online database, we developed a set of open source format conversion tools, which can be used for rotation of MT TFs as well as a general XML <-> EDI converter (https://seiscode.iris.washington.edu/projects/emtf-fcu). Here, we report on the newly established collaboration between the USGS Geomagnetism Program and the Oregon State University to gather and convert both historic and modern-day MT or related transfer functions into the searchable database at the IRIS DMC. The more complete and free access to these previously collected MT TFs will be of great value to MT scientists both in planning future surveys, and then to leverage the value of the new data at the inversion and interpretation stage.

Impact of charge-transfer excitons in regioregular polythiophene on the charge separation at polythiophene-fullerene heterojunctions

NASA Astrophysics Data System (ADS)

Polkehn, M.; Tamura, H.; Burghardt, I.

2018-01-01

This study addresses the mechanism of ultrafast charge separation in regioregular oligothiophene-fullerene assemblies representative of poly-3-hexylthiophene (P3HT)-[6,6]-phenyl-C61 butyric acid methyl ester (PCBM) heterojunctions, with special emphasis on the inclusion of charge transfer excitons in the oligothiophene phase. The formation of polaronic inter-chain charge separated species in highly ordered oligothiophene has been demonstrated in recent experiments and could have a significant impact on the net charge transfer to the fullerene acceptor. The present approach combines a first-principles parametrized multi-site Hamiltonian, based on time-dependent density functional theory calculations, with accurate quantum dynamics simulations using the multi-layer multi-configuration time-dependent Hartree method. Quantum dynamical studies are carried out for up to 182 electronic states and 112 phonon modes. The present analysis follows up on our previous study of (Huix-Rotllant et al 2015 J. Phys. Chem. Lett. 6 1702) and significantly expands the scope of this analysis by including the dynamical role of charge transfer excitons. Our investigation highlights the pronounced mixing of photogenerated Frenkel excitons with charge transfer excitons in the oligothiophene domain, and the opening of new transfer channels due the creation of such charge-separated species. As a result, it turns out that the interfacial donor/acceptor charge transfer state can be largely circumvented due to the presence of charge transfer excitons. However, the latter states in turn act as a trap, such that the free carrier yield observed on ultrafast time scales is tangibly reduced. The present analysis underscores the complexity of the transfer pathways at P3HT-PCBM type junctions.

Ultrahigh resolution multicolor colocalization of single fluorescent probes

DOEpatents

Weiss, Shimon; Michalet, Xavier; Lacoste, Thilo D.

2005-01-18

A novel optical ruler based on ultrahigh-resolution colocalization of single fluorescent probes is described. Two unique families of fluorophores are used, namely energy-transfer fluorescent beads and semiconductor nanocrystal (NC) quantum dots, that can be excited by a single laser wavelength but emit at different wavelengths. A novel multicolor sample-scanning confocal microscope was constructed which allows one to image each fluorescent light emitter, free of chromatic aberrations, by scanning the sample with nanometer scale steps using a piezo-scanner. The resulting spots are accurately localized by fitting them to the known shape of the excitation point-spread-function of the microscope.

RNA polymerase II transcriptional fidelity control and its functional interplay with DNA modifications

PubMed Central

Xu, Liang; Wang, Wei; Chong, Jenny; Shin, Ji Hyun; Xu, Jun; Wang, Dong

2016-01-01

Accurate genetic information transfer is essential for life. As a key enzyme involved in the first step of gene expression, RNA polymerase II (Pol II) must maintain high transcriptional fidelity while it reads along DNA template and synthesizes RNA transcript in a stepwise manner during transcription elongation. DNA lesions or modifications may lead to significant changes in transcriptional fidelity or transcription elongation dynamics. In this review, we will summarize recent progress towards understanding the molecular basis of RNA Pol II transcriptional fidelity control and impacts of DNA lesions and modifications on Pol II transcription elongation. PMID:26392149

Analysis of spatial pseudodepolarizers in imaging systems

NASA Technical Reports Server (NTRS)

Mcguire, James P., Jr.; Chipman, Russell A.

1990-01-01

The objective of a number of optical instruments is to measure the intensity accurately without bias as to the incident polarization state. One method to overcome polarization bias in optical systems is the insertion of a spatial pseudodepolarizer. Both the degree of depolarization and image degradation (from the polarization aberrations of the pseudodepolarizer) are analyzed for two depolarizer designs: (1) the Cornu pseudodepolarizer, effective for linearly polarized light, and (2) the dual Babinet compensator pseudodepolarizer, effective for all incident polarization states. The image analysis uses a matrix formalism to describe the polarization dependence of the diffraction patterns and optical transfer function.

Fractional order absolute vibration suppression (AVS) controllers

NASA Astrophysics Data System (ADS)

Halevi, Yoram

2017-04-01

Absolute vibration suppression (AVS) is a control method for flexible structures. The first step is an accurate, infinite dimension, transfer function (TF), from actuation to measurement. This leads to the collocated, rate feedback AVS controller that in some cases completely eliminates the vibration. In case of the 1D wave equation, the TF consists of pure time delays and low order rational terms, and the AVS controller is rational. In all other cases, the TF and consequently the controller are fractional order in both the delays and the "rational parts". The paper considers stability, performance and actual implementation in such cases.

Discovery of a general method of solving the Schrödinger and dirac equations that opens a way to accurately predictive quantum chemistry.

PubMed

Nakatsuji, Hiroshi

2012-09-18

Just as Newtonian law governs classical physics, the Schrödinger equation (SE) and the relativistic Dirac equation (DE) rule the world of chemistry. So, if we can solve these equations accurately, we can use computation to predict chemistry precisely. However, for approximately 80 years after the discovery of these equations, chemists believed that they could not solve SE and DE for atoms and molecules that included many electrons. This Account reviews ideas developed over the past decade to further the goal of predictive quantum chemistry. Between 2000 and 2005, I discovered a general method of solving the SE and DE accurately. As a first inspiration, I formulated the structure of the exact wave function of the SE in a compact mathematical form. The explicit inclusion of the exact wave function's structure within the variational space allows for the calculation of the exact wave function as a solution of the variational method. Although this process sounds almost impossible, it is indeed possible, and I have published several formulations and applied them to solve the full configuration interaction (CI) with a very small number of variables. However, when I examined analytical solutions for atoms and molecules, the Hamiltonian integrals in their secular equations diverged. This singularity problem occurred in all atoms and molecules because it originates from the singularity of the Coulomb potential in their Hamiltonians. To overcome this problem, I first introduced the inverse SE and then the scaled SE. The latter simpler idea led to immediate and surprisingly accurate solution for the SEs of the hydrogen atom, helium atom, and hydrogen molecule. The free complement (FC) method, also called the free iterative CI (free ICI) method, was efficient for solving the SEs. In the FC method, the basis functions that span the exact wave function are produced by the Hamiltonian of the system and the zeroth-order wave function. These basis functions are called complement functions because they are the elements of the complete functions for the system under consideration. We extended this idea to solve the relativistic DE and applied it to the hydrogen and helium atoms, without observing any problems such as variational collapse. Thereafter, we obtained very accurate solutions of the SE for the ground and excited states of the Born-Oppenheimer (BO) and non-BO states of very small systems like He, H(2)(+), H(2), and their analogues. For larger systems, however, the overlap and Hamiltonian integrals over the complement functions are not always known mathematically (integration difficulty); therefore we formulated the local SE (LSE) method as an integral-free method. Without any integration, the LSE method gave fairly accurate energies and wave functions for small atoms and molecules. We also calculated continuous potential curves of the ground and excited states of small diatomic molecules by introducing the transferable local sampling method. Although the FC-LSE method is simple, the achievement of chemical accuracy in the absolute energy of larger systems remains time-consuming. The development of more efficient methods for the calculations of ordinary molecules would allow researchers to make these calculations more easily.

A transferable force field for CdS-CdSe-PbS-PbSe solid systems

NASA Astrophysics Data System (ADS)

Fan, Zhaochuan; Koster, Rik S.; Wang, Shuaiwei; Fang, Changming; Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W.; van Huis, Marijn A.; Vlugt, Thijs J. H.

2014-12-01

A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., "Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth," Nano Lett. 14, 3661-3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and CdS, and provide detailed information on the validation of this force field. The parameterization combines Bader charge analysis, empirical fitting, and ab initio energy surface fitting. When compared with experimental data and density functional theory calculations, it is shown that a wide range of physical properties of bulk PbS, PbSe, CdS, CdSe, and their mixed phases can be accurately reproduced using this force field. The choice of functional forms and parameterization strategy is demonstrated to be rational and effective. This transferable force field can be used in various studies on II-VI and IV-VI semiconductor materials consisting of CdS, CdSe, PbS, and PbSe. Here, we demonstrate the applicability of the force field model by molecular dynamics simulations whereby transformations are initiated by cation exchange.

A priori mesh grading for the numerical calculation of the head-related transfer functions

PubMed Central

Ziegelwanger, Harald; Kreuzer, Wolfgang; Majdak, Piotr

2017-01-01

Head-related transfer functions (HRTFs) describe the directional filtering of the incoming sound caused by the morphology of a listener’s head and pinnae. When an accurate model of a listener’s morphology exists, HRTFs can be calculated numerically with the boundary element method (BEM). However, the general recommendation to model the head and pinnae with at least six elements per wavelength renders the BEM as a time-consuming procedure when calculating HRTFs for the full audible frequency range. In this study, a mesh preprocessing algorithm is proposed, viz., a priori mesh grading, which reduces the computational costs in the HRTF calculation process significantly. The mesh grading algorithm deliberately violates the recommendation of at least six elements per wavelength in certain regions of the head and pinnae and varies the size of elements gradually according to an a priori defined grading function. The evaluation of the algorithm involved HRTFs calculated for various geometric objects including meshes of three human listeners and various grading functions. The numerical accuracy and the predicted sound-localization performance of calculated HRTFs were analyzed. A-priori mesh grading appeared to be suitable for the numerical calculation of HRTFs in the full audible frequency range and outperformed uniform meshes in terms of numerical errors, perception based predictions of sound-localization performance, and computational costs. PMID:28239186

Cerebellar-inspired algorithm for adaptive control of nonlinear dielectric elastomer-based artificial muscle

PubMed Central

Assaf, Tareq; Rossiter, Jonathan M.; Porrill, John

2016-01-01

Electroactive polymer actuators are important for soft robotics, but can be difficult to control because of compliance, creep and nonlinearities. Because biological control mechanisms have evolved to deal with such problems, we investigated whether a control scheme based on the cerebellum would be useful for controlling a nonlinear dielectric elastomer actuator, a class of artificial muscle. The cerebellum was represented by the adaptive filter model, and acted in parallel with a brainstem, an approximate inverse plant model. The recurrent connections between the two allowed for direct use of sensory error to adjust motor commands. Accurate tracking of a displacement command in the actuator's nonlinear range was achieved by either semi-linear basis functions in the cerebellar model or semi-linear functions in the brainstem corresponding to recruitment in biological muscle. In addition, allowing transfer of training between cerebellum and brainstem as has been observed in the vestibulo-ocular reflex prevented the steady increase in cerebellar output otherwise required to deal with creep. The extensibility and relative simplicity of the cerebellar-based adaptive-inverse control scheme suggests that it is a plausible candidate for controlling this type of actuator. Moreover, its performance highlights important features of biological control, particularly nonlinear basis functions, recruitment and transfer of training. PMID:27655667

Relationships between the decoupled and coupled transfer functions: Theoretical studies and experimental validation

NASA Astrophysics Data System (ADS)

Wang, Zengwei; Zhu, Ping; Liu, Zhao

2018-01-01

A generalized method for predicting the decoupled transfer functions based on in-situ transfer functions is proposed. The method allows predicting the decoupled transfer functions using coupled transfer functions, without disassembling the system. Two ways to derive relationships between the decoupled and coupled transfer functions are presented. Issues related to immeasurability of coupled transfer functions are also discussed. The proposed method is validated by numerical and experimental case studies.

Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction.

PubMed

Huang, WenJuan; Blinov, Nikolay; Kovalenko, Andriy

2015-04-30

The octanol-water partition coefficient is an important physical-chemical characteristic widely used to describe hydrophobic/hydrophilic properties of chemical compounds. The partition coefficient is related to the transfer free energy of a compound from water to octanol. Here, we introduce a new protocol for prediction of the partition coefficient based on the statistical-mechanical, 3D-RISM-KH molecular theory of solvation. It was shown recently that with the compound-solvent correlation functions obtained from the 3D-RISM-KH molecular theory of solvation, the free energy functional supplemented with the correction linearly related to the partial molar volume obtained from the Kirkwood-Buff/3D-RISM theory, also called the "universal correction" (UC), provides accurate prediction of the hydration free energy of small compounds, compared to explicit solvent molecular dynamics [ Palmer , D. S. ; J. Phys.: Condens. Matter 2010 , 22 , 492101 ]. Here we report that with the UC reparametrized accordingly this theory also provides an excellent agreement with the experimental data for the solvation free energy in nonpolar solvent (1-octanol) and so accurately predicts the octanol-water partition coefficient. The performance of the Kovalenko-Hirata (KH) and Gaussian fluctuation (GF) functionals of the solvation free energy, with and without UC, is tested on a large library of small compounds with diverse functional groups. The best agreement with the experimental data for octanol-water partition coefficients is obtained with the KH-UC solvation free energy functional.

Time and Frequency Activities at the U.S. Naval Observatory

DTIC Science & Technology

2012-01-01

Satellite Time Transfer (TWSTT), also referred to as Two-Way Satellite Time and Frequency Transfer ( TWSTFT ) The most accurate means of operational long...satellite broadcasts, and the BIPM uses that reported by the Observatory of Paris (OP), transferred to the BIPM via TWSTFT . This is compared to...Frequency Transfer ( TWSTFT ),” Review of Radio Science (Oxford Science Publications), pp. 27-44. [25] L. A. Breakiron, A. L. Smith, B. C. Fonville

Isotope effects associated with tunneling and double proton transfer in the hydrogen bonds of benzoic acid

NASA Astrophysics Data System (ADS)

Xue, Q.; Horsewill, A. J.; Johnson, M. R.; Trommsdorff, H. P.

2004-06-01

The isotope effects associated with double proton transfer in the hydrogen bonds of benzoic acid (BA) dimers have been measured using field-cycling 1H NMR relaxometry and quasielastic neutron scattering. By studying mixed isotope (hydrogen and deuterium) samples, the dynamics of three isotopologues, BA-HH, BA-HD, and BA-DD, have been investigated. Low temperature measurements provide accurate measurements of the incoherent tunneling rate, k0. This parameter scales accurately with the mass number, m, according to the formula k0=(E/m)e-F√m providing conclusive evidence that the proton transfer process is a strongly correlated motion of two hydrons. Furthermore, we conclude that the tunneling pathway is the same for the three isotopologue species. Measurements at higher temperatures illuminate the through barrier processes that are mediated via intermediate or excited vibrational states. In parallel with the investigation of proton transfer dynamics, the theoretical and experimental aspects of studying spin-lattice relaxation in single crystals of mixed isotope samples are investigated in depth. Heteronuclear dipolar interactions between 1H and 2H isotopes contribute significantly to the overall proton spin-lattice relaxation and it is shown that these must be modeled correctly to obtain accurate values for the proton transfer rates. Since the sample used in the NMR measurements was a single crystal, full account of the orientation dependence of the spin-lattice relaxation with respect to the applied B field was incorporated into the data analysis.

van der Waals Heterostructures with High Accuracy Rotational Alignment.

PubMed

Kim, Kyounghwan; Yankowitz, Matthew; Fallahazad, Babak; Kang, Sangwoo; Movva, Hema C P; Huang, Shengqiang; Larentis, Stefano; Corbet, Chris M; Taniguchi, Takashi; Watanabe, Kenji; Banerjee, Sanjay K; LeRoy, Brian J; Tutuc, Emanuel

2016-03-09

We describe the realization of van der Waals (vdW) heterostructures with accurate rotational alignment of individual layer crystal axes. We illustrate the approach by demonstrating a Bernal-stacked bilayer graphene formed using successive transfers of monolayer graphene flakes. The Raman spectra of this artificial bilayer graphene possess a wide 2D band, which is best fit by four Lorentzians, consistent with Bernal stacking. Scanning tunneling microscopy reveals no moiré pattern on the artificial bilayer graphene, and tunneling spectroscopy as a function of gate voltage reveals a constant density of states, also in agreement with Bernal stacking. In addition, electron transport probed in dual-gated samples reveals a band gap opening as a function of transverse electric field. To illustrate the applicability of this technique to realize vdW heterostructuctures in which the functionality is critically dependent on rotational alignment, we demonstrate resonant tunneling double bilayer graphene heterostructures separated by hexagonal boron-nitride dielectric.

Engineering a Functional Small RNA Negative Autoregulation Network with Model-Guided Design.

PubMed

Hu, Chelsea Y; Takahashi, Melissa K; Zhang, Yan; Lucks, Julius B

2018-05-22

RNA regulators are powerful components of the synthetic biology toolbox. Here, we expand the repertoire of synthetic gene networks built from these regulators by constructing a transcriptional negative autoregulation (NAR) network out of small RNAs (sRNAs). NAR network motifs are core motifs of natural genetic networks, and are known for reducing network response time and steady state signal. Here we use cell-free transcription-translation (TX-TL) reactions and a computational model to design and prototype sRNA NAR constructs. Using parameter sensitivity analysis, we design a simple set of experiments that allow us to accurately predict NAR function in TX-TL. We transfer successful network designs into Escherichia coli and show that our sRNA transcriptional network reduces both network response time and steady-state gene expression. This work broadens our ability to construct increasingly sophisticated RNA genetic networks with predictable function.

Experimental determination of heat transfer coefficients in roll bite and air cooling for computer simulations of 1100 MPa carbon steel rolling

NASA Astrophysics Data System (ADS)

Leinonen, Olli; Ilmola, Joonas; Seppälä, Oskari; Pohjonen, Aarne; Paavola, Jussi; Koskenniska, Sami; Larkiola, Jari

2018-05-01

In modeling of hot rolling pass schedules the heat transfer phenomena have to be known. Radiation to ambient, between rolls and a steel slab as well as heat transfer in contacts must be considered to achieve accurate temperature distribution and thereby accurate material behavior in simulations. Additional heat is generated by friction between the slab and the work roll and by plastic deformation. These phenomena must be taken into account when the effective heat transfer coefficient is determined from experimental data. In this paper we determine the effective heat transfer coefficient at the contact interface and emissivity factor of slab surface for 1100MPa strength carbon steel for hot rolling simulations. Experimental pilot rolling test were carried out and slab temperatures gathered right below the interface and at the mid thickness of the slab. Emissivity factor tests were carried out in the same manner but without rolling. Experimental data is utilized to derive contact heat transfer coefficient at the interface and emissivity factor of slab surface. Pilot rolling test is reproduced in FE-analysis to further refine the heat transfer coefficient and emissivity factor. Material mechanical properties at rolling temperatures were determined by Gleeble™ thermo-mechanical simulator and IDS thermodynamic-kinetic-empirical software.

A research program for improving heat transfer prediction for the laminar to turbulent transition region of turbine vanes/blades

NASA Technical Reports Server (NTRS)

Simon, Frederick F.

1993-01-01

A program sponsored by NASA for the investigation of the heat transfer in the transition region of turbine vanes and blades with the objective of improving the capability for predicting heat transfer is described. The accurate prediction of gas-side heat transfer is important to the determination of turbine longevity, engine performance, and developmental costs. The need for accurate predictions will become greater as the operating temperatures and stage loading levels of advanced turbine engines increase. The present methods for predicting transition shear stress and heat transfer on turbine blades are based on incomplete knowledge and are largely empirical. To meet the objective of the NASA program, a team approach consisting of researchers from government, universities, a research institute, and a small business is presented. The research is divided into the areas of experiments, direct numerical simulations (DNS), and turbulence modeling. A summary of the results to date is given for the above research areas in a high-disturbance environment (bypass transition) with a discussion of the model development necessary for use in numerical codes.

Multimodal determination of Rayleigh dispersion and attenuation curves using the circle fit method

NASA Astrophysics Data System (ADS)

Verachtert, R.; Lombaert, G.; Degrande, G.

2018-03-01

This paper introduces the circle fit method for the determination of multi-modal Rayleigh dispersion and attenuation curves as part of a Multichannel Analysis of Surface Waves (MASW) experiment. The wave field is transformed to the frequency-wavenumber (fk) domain using a discretized Hankel transform. In a Nyquist plot of the fk-spectrum, displaying the imaginary part against the real part, the Rayleigh wave modes correspond to circles. The experimental Rayleigh dispersion and attenuation curves are derived from the angular sweep of the central angle of these circles. The method can also be applied to the analytical fk-spectrum of the Green's function of a layered half-space in order to compute dispersion and attenuation curves, as an alternative to solving an eigenvalue problem. A MASW experiment is subsequently simulated for a site with a regular velocity profile and a site with a soft layer trapped between two stiffer layers. The performance of the circle fit method to determine the dispersion and attenuation curves is compared with the peak picking method and the half-power bandwidth method. The circle fit method is found to be the most accurate and robust method for the determination of the dispersion curves. When determining attenuation curves, the circle fit method and half-power bandwidth method are accurate if the mode exhibits a sharp peak in the fk-spectrum. Furthermore, simulated and theoretical attenuation curves determined with the circle fit method agree very well. A similar correspondence is not obtained when using the half-power bandwidth method. Finally, the circle fit method is applied to measurement data obtained for a MASW experiment at a site in Heverlee, Belgium. In order to validate the soil profile obtained from the inversion procedure, force-velocity transfer functions were computed and found in good correspondence with the experimental transfer functions, especially in the frequency range between 5 and 80 Hz.

Investigating biomass burning aerosol morphology using a laser imaging nephelometer

NASA Astrophysics Data System (ADS)

Manfred, Katherine M.; Washenfelder, Rebecca A.; Wagner, Nicholas L.; Adler, Gabriela; Erdesz, Frank; Womack, Caroline C.; Lamb, Kara D.; Schwarz, Joshua P.; Franchin, Alessandro; Selimovic, Vanessa; Yokelson, Robert J.; Murphy, Daniel M.

2018-02-01

Particle morphology is an important parameter affecting aerosol optical properties that are relevant to climate and air quality, yet it is poorly constrained due to sparse in situ measurements. Biomass burning is a large source of aerosol that generates particles with different morphologies. Quantifying the optical contributions of non-spherical aerosol populations is critical for accurate radiative transfer models, and for correctly interpreting remote sensing data. We deployed a laser imaging nephelometer at the Missoula Fire Sciences Laboratory to sample biomass burning aerosol from controlled fires during the FIREX intensive laboratory study. The laser imaging nephelometer measures the unpolarized scattering phase function of an aerosol ensemble using diode lasers at 375 and 405 nm. Scattered light from the bulk aerosol in the instrument is imaged onto a charge-coupled device (CCD) using a wide-angle field-of-view lens, which allows for measurements at 4-175° scattering angle with ˜ 0.5° angular resolution. Along with a suite of other instruments, the laser imaging nephelometer sampled fresh smoke emissions both directly and after removal of volatile components with a thermodenuder at 250 °C. The total integrated aerosol scattering signal agreed with both a cavity ring-down photoacoustic spectrometer system and a traditional integrating nephelometer within instrumental uncertainties. We compare the measured scattering phase functions at 405 nm to theoretical models for spherical (Mie) and fractal (Rayleigh-Debye-Gans) particle morphologies based on the size distribution reported by an optical particle counter. Results from representative fires demonstrate that particle morphology can vary dramatically for different fuel types. In some cases, the measured phase function cannot be described using Mie theory. This study demonstrates the capabilities of the laser imaging nephelometer instrument to provide realtime, in situ information about dominant particle morphology, which is vital for understanding remote sensing data and accurately describing the aerosol population in radiative transfer calculations.

Expansion of Tabulated Scattering Matrices in Generalized Spherical Functions

NASA Technical Reports Server (NTRS)

Mishchenko, Michael I.; Geogdzhayev, Igor V.; Yang, Ping

2016-01-01

An efficient way to solve the vector radiative transfer equation for plane-parallel turbid media is to Fourier-decompose it in azimuth. This methodology is typically based on the analytical computation of the Fourier components of the phase matrix and is predicated on the knowledge of the coefficients appearing in the expansion of the normalized scattering matrix in generalized spherical functions. Quite often the expansion coefficients have to be determined from tabulated values of the scattering matrix obtained from measurements or calculated by solving the Maxwell equations. In such cases one needs an efficient and accurate computer procedure converting a tabulated scattering matrix into the corresponding set of expansion coefficients. This short communication summarizes the theoretical basis of this procedure and serves as the user guide to a simple public-domain FORTRAN program.

Safety of Rural Nursing Home-to-Emergency Department Transfers: Improving Communication and Patient Information Sharing Across Settings.

PubMed

Tupper, Judith B; Gray, Carolyn E; Pearson, Karen B; Coburn, Andrew F

2015-01-01

The "siloed" approach to healthcare delivery contributes to communication challenges and to potential patient harm when patients transfer between settings. This article reports on the evaluation of a demonstration in 10 rural communities to improve the safety of nursing facility (NF) transfers to hospital emergency departments by forming interprofessional teams of hospital, emergency medical service, and NF staff to develop and implement tools and protocols for standardizing critical interfacility communication pathways and information sharing. We worked with each of the 10 teams to document current communication processes and information sharing tools and to design, implement, and evaluate strategies/tools to increase effective communication and sharing of patient information across settings. A mixed methods approach was used to evaluate changes from baseline in documentation of patient information shared across settings during the transfer process. Study findings showed significant improvement in key areas across the three settings, including infection status and baseline mental functioning. Improvement strategies and performance varied across settings; however, accurate and consistent information sharing of advance directives and medication lists remains a challenge. Study results demonstrate that with neutral facilitation and technical support, collaborative interfacility teams can assess and effectively address communication and information sharing problems that threaten patient safety.

Tuned range separated hybrid functionals for solvated low bandgap oligomers

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

Queiroz, Thiago B. de, E-mail: thiago.branquinho-de-queiroz@uni-bayreuth.de; Kümmel, Stephan

2015-07-21

The description of charge transfer excitations has long been a challenge to time dependent density functional theory. The recently developed concept of “optimally tuned range separated hybrid (OT-RSH) functionals” has proven to describe charge transfer excitations accurately in many cases. However, describing solvated or embedded systems is yet a challenge. This challenge is not only computational but also conceptual, because the tuning requires identifying a specific orbital, typically the highest occupied one of the molecule under study. For solvated molecules, this orbital may be delocalized over the solvent. We here demonstrate that one way of overcoming this problem is tomore » use a locally projected self-consistent field diagonalization on an absolutely localized molecular orbital expansion. We employ this approach to determine ionization energies and the optical gap of solvated oligothiophenes, i.e., paradigm low gap systems that are of relevance in organic electronics. Dioxane solvent molecules are explicitly represented in our calculations, and the ambiguities of straightforward parameter tuning in solution are elucidated. We show that a consistent estimate of the optimal range separated parameter (ω) at the limit of bulk solvation can be obtained by gradually extending the solvated system. In particular, ω is influenced by the solvent beyond the first coordination sphere. For determining ionization energies, a considerable number of solvent molecules on the first solvation shell must be taken into account. We demonstrate that accurately calculating optical gaps of solvated systems using OT-RSH can be done in three steps: (i) including the chemical environment when determining the range-separation parameter, (ii) taking into account the screening due to the solvent, and (iii) using realistic molecular geometries.« less

A rapid communication from the AAPM Task Group 201: recommendations for the QA of external beam radiotherapy data transfer. AAPM TG 201: quality assurance of external beam radiotherapy data transfer.

PubMed

Siochi, R Alfredo; Balter, Peter; Bloch, Charles D; Santanam, Lakshmi; Blodgett, Kurt; Curran, Bruce H; Engelsman, Martijn; Feng, Wenzheng; Mechalakos, Jim; Pavord, Dan; Simon, Tom; Sutlieff, Steven; Zhu, X Ronald

2010-12-04

The transfer of radiation therapy data among the various subsystems required for external beam treatments is subject to error. Hence, the establishment and management of a data transfer quality assurance program is strongly recommended. It should cover the QA of data transfers of patient specific treatments, imaging data, manually handled data and historical treatment records. QA of the database state (logical consistency and information integrity) is also addressed to ensure that accurate data are transferred.

Preliminary characterization of carbon dioxide transfer in a hollow fiber membrane module as a possible solution for gas-liquid transfer in microgravity conditions

NASA Astrophysics Data System (ADS)

Farges, Bérangère; Duchez, David; Dussap, Claude-Gilles; Cornet, Jean-François

2012-01-01

In microgravity, one of the major challenge encountered in biological life support systems (BLSS) is the gas-liquid transfer with, for instance, the necessity to provide CO2 (carbon source, pH control) and to recover the evolved O2 in photobioreactors used as atmosphere bioregenerative systems.This paper describes first the development of a system enabling the accurate characterization of the mass transfer limiting step for a PTFE membrane module used as a possible efficient solution to the microgravity gas-liquid transfer. This original technical apparatus, together with a technical assessment of membrane permeability to different gases, is associated with a balance model, determining thus completely the CO2 mass transfer problem between phases. First results are given and discussed for the CO2 mass transfer coefficient kLCO obtained in case of absorption experiments at pH 8 using the hollow fiber membrane module. The consistency of the proposed method, based on a gas and liquid phase balances verifying carbon conservation enables a very accurate determination of the kLCO value as a main limiting step of the whole process. Nevertheless, further experiments are still needed to demonstrate that the proposed method could serve in the future as reference method for mass transfer coefficient determination if using membrane modules for BLSS in reduced or microgravity conditions.

Fast and accurate reference-free alignment of subtomograms.

PubMed

Chen, Yuxiang; Pfeffer, Stefan; Hrabe, Thomas; Schuller, Jan Michael; Förster, Friedrich

2013-06-01

In cryoelectron tomography alignment and averaging of subtomograms, each dnepicting the same macromolecule, improves the resolution compared to the individual subtomogram. Major challenges of subtomogram alignment are noise enhancement due to overfitting, the bias of an initial reference in the iterative alignment process, and the computational cost of processing increasingly large amounts of data. Here, we propose an efficient and accurate alignment algorithm via a generalized convolution theorem, which allows computation of a constrained correlation function using spherical harmonics. This formulation increases computational speed of rotational matching dramatically compared to rotation search in Cartesian space without sacrificing accuracy in contrast to other spherical harmonic based approaches. Using this sampling method, a reference-free alignment procedure is proposed to tackle reference bias and overfitting, which also includes contrast transfer function correction by Wiener filtering. Application of the method to simulated data allowed us to obtain resolutions near the ground truth. For two experimental datasets, ribosomes from yeast lysate and purified 20S proteasomes, we achieved reconstructions of approximately 20Å and 16Å, respectively. The software is ready-to-use and made public to the community. Copyright © 2013 Elsevier Inc. All rights reserved.

Modifications Of Discrete Ordinate Method For Computations With High Scattering Anisotropy: Comparative Analysis

NASA Technical Reports Server (NTRS)

Korkin, Sergey V.; Lyapustin, Alexei I.; Rozanov, Vladimir V.

2012-01-01

A numerical accuracy analysis of the radiative transfer equation (RTE) solution based on separation of the diffuse light field into anisotropic and smooth parts is presented. The analysis uses three different algorithms based on the discrete ordinate method (DOM). Two methods, DOMAS and DOM2+, that do not use the truncation of the phase function, are compared against the TMS-method. DOMAS and DOM2+ use the Small-Angle Modification of RTE and the single scattering term, respectively, as an anisotropic part. The TMS method uses Delta-M method for truncation of the phase function along with the single scattering correction. For reference, a standard discrete ordinate method, DOM, is also included in analysis. The obtained results for cases with high scattering anisotropy show that at low number of streams (16, 32) only DOMAS provides an accurate solution in the aureole area. Outside of the aureole, the convergence and accuracy of DOMAS, and TMS is found to be approximately similar: DOMAS was found more accurate in cases with coarse aerosol and liquid water cloud models, except low optical depth, while the TMS showed better results in case of ice cloud.

Effect of atmospheric anisoplanatism on earth-to-satellite time transfer over laser communication links.

PubMed

Belmonte, Aniceto; Taylor, Michael T; Hollberg, Leo; Kahn, Joseph M

2017-07-10

The need for an accurate time reference on orbiting platforms motivates study of time transfer via free-space optical communication links. The impact of atmospheric turbulence on earth-to-satellite optical time transfer has not been fully characterized, however. We analyze limits to two-way laser time transfer accuracy posed by anisoplanatic non-reciprocity between uplink and downlink. We show that despite limited reciprocity, two-way time transfer can still achieve sub-picosecond accuracy in realistic propagation scenarios over a single satellite visibility period.

Isotopic effects in the muon transfer from pmu and dmu to heavier atoms.

PubMed

Dupays, Arnaud

2004-07-23

The results of accurate hyperspherical calculations of the muon-transfer rates from muonic protium and deuterium atoms to nitrogen, oxygen, and neon are reported. Very good agreement with measured rates is obtained and, for the three systems, the isotopic effect is perfectly reproduced. The transfer rate is higher for deuterium in the cases of nitrogen and neon due to constructive interferences between two transfer paths. The lower transfer rate for deuterium in the case of oxygen results from a large resonant contribution. Copyright 2004 The American Physical Society

How Well Can Modern Density Functionals Predict Internuclear Distances at Transition States?

PubMed

Xu, Xuefei; Alecu, I M; Truhlar, Donald G

2011-06-14

We introduce a new database called TSG48 containing 48 transition state geometrical data (in particular, internuclear distances in transition state structures) for 16 main group reactions. The 16 reactions are the 12 reactions in the previously published DBH24 database (which includes hydrogen transfer reactions, heavy-atom transfer reactions, nucleophilic substitution reactions, and association reactions plus one unimolecular isomerization) plus four H-transfer reactions in which a hydrogen atom is abstracted by the methyl or hydroperoxyl radical from the two different positions in methanol. The data in TSG48 include data for four reactions that have previously been treated at a very high level in the literature. These data are used to test and validate methods that are affordable for the entire test suite, and the most accurate of these methods is found to be the multilevel BMC-CCSD method. The data that constitute the TSG48 database are therefore taken to consist of these very high level calculations for the four reactions where they are available and BMC-CCSD calculations for the other 12 reactions. The TSG48 database is used to assess the performance of the eight Minnesota density functionals from the M05-M08 families and 26 other high-performance and popular density functionals for locating transition state geometries. For comparison, the MP2 and QCISD wave function methods have also been tested for transition state geometries. The MC3BB and MC3MPW doubly hybrid functionals and the M08-HX and M06-2X hybrid meta-GGAs are found to have the best performance of all of the density functionals tested. M08-HX is the most highly recommended functional due to the excellent performance for all five subsets of TSG48, as well as having a lower cost when compared to doubly hybrid functionals. The mean absolute errors in transition state internuclear distances associated with breaking and forming bonds as calculated by the B2PLYP, MP2, and B3LYP methods are respectively about 2, 3, and 5 times larger than those calculated by MC3BB and M08-HX.

Accurate Treatment of Collision and Water-Delivery in Models of Terrestrial Planet Formation

NASA Astrophysics Data System (ADS)

Haghighipour, N.; Maindl, T. I.; Schaefer, C. M.; Wandel, O.

2017-08-01

We have developed a comprehensive approach in simulating collisions and growth of embryos to terrestrial planets where we use a combination of SPH and N-body codes to model collisions and the transfer of water and chemical compounds accurately.

Accurate SERS detection of malachite green in aquatic products on basis of graphene wrapped flexible sensor.

PubMed

Ouyang, Lei; Yao, Ling; Zhou, Taohong; Zhu, Lihua

2018-10-16

Malachite Green (MG) is a banned pesticide for aquaculture products. As a required inspection item, its fast and accurate determination before the products' accessing market is very important. Surface enhanced Raman scattering (SERS) is a promising tool for MG sensing, but it requires the overcoming of several problems such as fairly poor sensitivity and reproducibility, especially laser induced chemical conversion and photo-bleaching during SERS observation. By using a graphene wrapped Ag array based flexible membrane sensor, a modified SERS strategy was proposed for the sensitive and accurate detection of MG. The graphene layer functioned as an inert protector for impeding chemical transferring of the bioproduct Leucomalachite Green (LMG) to MG during the SERS detection, and as a heat transmitter for preventing laser induced photo-bleaching, which enables the separate detection of MG and LMG in fish extracts. The combination of the Ag array and the graphene cover also produced plentiful densely and uniformly distributed hot spots, leading to analytical enhancement factor up to 3.9 × 10 8 and excellent reproducibility (relative standard deviation low to 5.8% for 70 runs). The proposed method was easily used for MG detection with limit of detection (LOD) as low as 2.7 × 10 -11  mol L -1 . The flexibility of the sensor enable it have a merit for in-field fast detection of MG residues on the scale of a living fish through a surface extraction and paste transferring manner. The developed strategy was successfully applied in the analysis of real samples, showing good prospects for both the fast inspection and quantitative detection of MG. Copyright © 2018 Elsevier B.V. All rights reserved.

The binaural performance of a cross-talk cancellation system with matched or mismatched setup and playback acoustics

PubMed Central

Akeroyd, Michael A.; Chambers, John; Bullock, David; Palmer, Alan R.; Summerfield, A. Quentin; Nelson, Philip A.; Gatehouse, Stuart

2013-01-01

Cross-talk cancellation is a method for synthesising virtual auditory space using loudspeakers. One implementation is the “Optimal Source Distribution” technique [T. Takeuchi and P. Nelson, J. Acoust. Soc. Am. 112, 2786-2797 (2002)], in which the audio bandwidth is split across three pairs of loudspeakers, placed at azimuths of ±90°, ±15°, and ±3°, conveying low, mid and high frequencies, respectively. A computational simulation of this system was developed and verified against measurements made on an acoustic system using a manikin. Both the acoustic system and the simulation gave a wideband average cancellation of almost 25 dB. The simulation showed that when there was a mismatch between the head-related transfer functions used to set up the system and those of the final listener, the cancellation was reduced to an average of 13 dB. Moreover, in this case the binaural ITDs and ILDs delivered by the simulation of the OSD system often differed from the target values. It is concluded that only when the OSD system is set up with “matched” head-related transfer functions can it deliver accurate binaural cues. PMID:17348528

Power cepstrum technique with application to model helicopter acoustic data

NASA Technical Reports Server (NTRS)

Martin, R. M.; Burley, C. L.

1986-01-01

The application of the power cepstrum to measured helicopter-rotor acoustic data is investigated. A previously applied correction to the reconstructed spectrum is shown to be incorrect. For an exact echoed signal, the amplitude of the cepstrum echo spike at the delay time is linearly related to the echo relative amplitude in the time domain. If the measured spectrum is not entirely from the source signal, the cepstrum will not yield the desired echo characteristics and a cepstral aliasing may occur because of the effective sample rate in the frequency domain. The spectral analysis bandwidth must be less than one-half the echo ripple frequency or cepstral aliasing can occur. The power cepstrum editing technique is a useful tool for removing some of the contamination because of acoustic reflections from measured rotor acoustic spectra. The cepstrum editing yields an improved estimate of the free field spectrum, but the correction process is limited by the lack of accurate knowledge of the echo transfer function. An alternate procedure, which does not require cepstral editing, is proposed which allows the complete correction of a contaminated spectrum through use of both the transfer function and delay time of the echo process.

Addressing challenges of modulation transfer function measurement with fisheye lens cameras

NASA Astrophysics Data System (ADS)

Deegan, Brian M.; Denny, Patrick E.; Zlokolica, Vladimir; Dever, Barry; Russell, Laura

2015-03-01

Modulation transfer function (MTF) is a well defined and accepted method of measuring image sharpness. The slanted edge test, as defined in ISO12233 is a standard method of calculating MTF, and is widely used for lens alignment and auto-focus algorithm verification. However, there are a number of challenges which should be considered when measuring MTF in cameras with fisheye lenses. Due to trade-offs related Petzval curvature, planarity of the optical plane is difficult to achieve in fisheye lenses. It is therefore critical to have the ability to accurately measure sharpness throughout the entire image, particularly for lens alignment. One challenge for fisheye lenses is that, because of the radial distortion, the slanted edges will have different angles, depending on the location within the image and on the distortion profile of the lens. Previous work in the literature indicates that MTF measurements are robust for angles between 2 and 10 degrees. Outside of this range, MTF measurements become unreliable. Also, the slanted edge itself will be curved by the lens distortion, causing further measurement problems. This study summarises the difficulties in the use of MTF for sharpness measurement in fisheye lens cameras, and proposes mitigations and alternative methods.

A prediction of the minke whale (Balaenoptera acutorostrata) middle-ear transfer function.

PubMed

Tubelli, Andrew A; Zosuls, Aleks; Ketten, Darlene R; Yamato, Maya; Mountain, David C

2012-11-01

The lack of baleen whale (Cetacea Mysticeti) audiograms impedes the assessment of the impacts of anthropogenic noise on these animals. Estimates of audiograms, which are difficult to obtain behaviorally or electrophysiologically for baleen whales, can be made by simulating the audiogram as a series of components representing the outer, middle, and inner ear (Rosowski, 1991; Ruggero and Temchin, 2002). The middle-ear portion of the system can be represented by the middle-ear transfer function (METF), a measure of the transmission of acoustic energy from the external ear to the cochlea. An anatomically accurate finite element model of the minke whale (Balaenoptera acutorostrata) middle ear was developed to predict the METF for a mysticete species. The elastic moduli of the auditory ossicles were measured by using nanoindentation. Other mechanical properties were estimated from experimental stiffness measurements or from published values. The METF predicted a best frequency range between approximately 30 Hz and 7.5 kHz or between 100 Hz and 25 kHz depending on stimulation location. Parametric analysis found that the most sensitive parameters are the elastic moduli of the glove finger and joints and the Rayleigh damping stiffness coefficient β. The predicted hearing range matches well with the vocalization range.

Stage-by-Stage and Parallel Flow Path Compressor Modeling for a Variable Cycle Engine, NASA Advanced Air Vehicles Program - Commercial Supersonic Technology Project - AeroServoElasticity

NASA Technical Reports Server (NTRS)

Kopasakis, George; Connolly, Joseph W.; Cheng, Larry

2015-01-01

This paper covers the development of stage-by-stage and parallel flow path compressor modeling approaches for a Variable Cycle Engine. The stage-by-stage compressor modeling approach is an extension of a technique for lumped volume dynamics and performance characteristic modeling. It was developed to improve the accuracy of axial compressor dynamics over lumped volume dynamics modeling. The stage-by-stage compressor model presented here is formulated into a parallel flow path model that includes both axial and rotational dynamics. This is done to enable the study of compressor and propulsion system dynamic performance under flow distortion conditions. The approaches utilized here are generic and should be applicable for the modeling of any axial flow compressor design accurate time domain simulations. The objective of this work is as follows. Given the parameters describing the conditions of atmospheric disturbances, and utilizing the derived formulations, directly compute the transfer function poles and zeros describing these disturbances for acoustic velocity, temperature, pressure, and density. Time domain simulations of representative atmospheric turbulence can then be developed by utilizing these computed transfer functions together with the disturbance frequencies of interest.

The binaural performance of a cross-talk cancellation system with matched or mismatched setup and playback acoustics.

PubMed

Akeroyd, Michael A; Chambers, John; Bullock, David; Palmer, Alan R; Summerfield, A Quentin; Nelson, Philip A; Gatehouse, Stuart

2007-02-01

Cross-talk cancellation is a method for synthesizing virtual auditory space using loudspeakers. One implementation is the "Optimal Source Distribution" technique [T. Takeuchi and P. Nelson, J. Acoust. Soc. Am. 112, 2786-2797 (2002)], in which the audio bandwidth is split across three pairs of loudspeakers, placed at azimuths of +/-90 degrees, +/-15 degrees, and +/-3 degrees, conveying low, mid, and high frequencies, respectively. A computational simulation of this system was developed and verified against measurements made on an acoustic system using a manikin. Both the acoustic system and the simulation gave a wideband average cancellation of almost 25 dB. The simulation showed that when there was a mismatch between the head-related transfer functions used to set up the system and those of the final listener, the cancellation was reduced to an average of 13 dB. Moreover, in this case the binaural interaural time differences and interaural level differences delivered by the simulation of the optimal source distribution (OSD) system often differed from the target values. It is concluded that only when the OSD system is set up with "matched" head-related transfer functions can it deliver accurate binaural cues.

Valence and charge-transfer optical properties for some SinCm (m, n ≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy.

PubMed

Lutz, Jesse J; Duan, Xiaofeng F; Ranasinghe, Duminda S; Jin, Yifan; Margraf, Johannes T; Perera, Ajith; Burggraf, Larry W; Bartlett, Rodney J

2018-05-07

Accurate optical characterization of the closo-Si 12 C 12 molecule is important to guide experimental efforts toward the synthesis of nano-wires, cyclic nano-arrays, and related array structures, which are anticipated to be robust and efficient exciton materials for opto-electronic devices. Working toward calibrated methods for the description of closo-Si 12 C 12 oligomers, various electronic structure approaches are evaluated for their ability to reproduce measured optical transitions of the SiC 2 , Si 2 C n (n = 1-3), and Si 3 C n (n = 1, 2) clusters reported earlier by Steglich and Maier [Astrophys. J. 801, 119 (2015)]. Complete-basis-limit equation-of-motion coupled-cluster (EOMCC) results are presented and a comparison is made between perturbative and renormalized non-iterative triples corrections. The effect of adding a renormalized correction for quadruples is also tested. Benchmark test sets derived from both measurement and high-level EOMCC calculations are then used to evaluate the performance of a variety of density functionals within the time-dependent density functional theory (TD-DFT) framework. The best-performing functionals are subsequently applied to predict valence TD-DFT excitation energies for the lowest-energy isomers of Si n C and Si n-1 C 7-n (n = 4-6). TD-DFT approaches are then applied to the Si n C n (n = 4-12) clusters and unique spectroscopic signatures of closo-Si 12 C 12 are discussed. Finally, various long-range corrected density functionals, including those from the CAM-QTP family, are applied to a charge-transfer excitation in a cyclic (Si 4 C 4 ) 4 oligomer. Approaches for gauging the extent of charge-transfer character are also tested and EOMCC results are used to benchmark functionals and make recommendations.

A study of modelling simplifications in ground vibration predictions for railway traffic at grade

NASA Astrophysics Data System (ADS)

Germonpré, M.; Degrande, G.; Lombaert, G.

2017-10-01

Accurate computational models are required to predict ground-borne vibration due to railway traffic. Such models generally require a substantial computational effort. Therefore, much research has focused on developing computationally efficient methods, by either exploiting the regularity of the problem geometry in the direction along the track or assuming a simplified track structure. This paper investigates the modelling errors caused by commonly made simplifications of the track geometry. A case study is presented investigating a ballasted track in an excavation. The soil underneath the ballast is stiffened by a lime treatment. First, periodic track models with different cross sections are analyzed, revealing that a prediction of the rail receptance only requires an accurate representation of the soil layering directly underneath the ballast. A much more detailed representation of the cross sectional geometry is required, however, to calculate vibration transfer from track to free field. Second, simplifications in the longitudinal track direction are investigated by comparing 2.5D and periodic track models. This comparison shows that the 2.5D model slightly overestimates the track stiffness, while the transfer functions between track and free field are well predicted. Using a 2.5D model to predict the response during a train passage leads to an overestimation of both train-track interaction forces and free field vibrations. A combined periodic/2.5D approach is therefore proposed in this paper. First, the dynamic axle loads are computed by solving the train-track interaction problem with a periodic model. Next, the vibration transfer to the free field is computed with a 2.5D model. This combined periodic/2.5D approach only introduces small modelling errors compared to an approach in which a periodic model is used in both steps, while significantly reducing the computational cost.

Improving Academic Advisement and Transfer Articulation through Technology.

ERIC Educational Resources Information Center

Schinoff, Richard B.; Kelly, J. Terence

1982-01-01

Describes Miami-Dade Community College's computer-based Advisement and Graduation Information System (AGIS), which provides students with accurate, up-to-date information on their progress toward meeting graduation requirements and on courses recommended for transfer. Describes AGIS's six-phase development. Reviews AGIS's management applications,…

Learning to combine high variability with high precision: lack of transfer to a different task.

PubMed

Wu, Yen-Hsun; Truglio, Thomas S; Zatsiorsky, Vladimir M; Latash, Mark L

2015-01-01

The authors studied effects of practicing a 4-finger accurate force production task on multifinger coordination quantified within the uncontrolled manifold hypothesis. During practice, task instability was modified by changing visual feedback gain based on accuracy of performance. The authors also explored the retention of these effects, and their transfer to a prehensile task. Subjects practiced the force production task for 2 days. After the practice, total force variability decreased and performance became more accurate. In contrast, variance of finger forces showed a tendency to increase during the first practice session while in the space of finger modes (hypothetical commands to fingers) the increase was under the significance level. These effects were retained for 2 weeks. No transfer of these effects to the prehensile task was seen, suggesting high specificity of coordination changes. The retention of practice effects without transfer to a different task suggests that further studies on a more practical method of improving coordination are needed.

Can AERONET data be used to accurately model the monochromatic beam and circumsolar irradiances under cloud-free conditions in desert environment?

NASA Astrophysics Data System (ADS)

Eissa, Y.; Blanc, P.; Wald, L.; Ghedira, H.

2015-12-01

Routine measurements of the beam irradiance at normal incidence include the irradiance originating from within the extent of the solar disc only (DNIS), whose angular extent is 0.266° ± 1.7 %, and from a larger circumsolar region, called the circumsolar normal irradiance (CSNI). This study investigates whether the spectral aerosol optical properties of the AERONET stations are sufficient for an accurate modelling of the monochromatic DNIS and CSNI under cloud-free conditions in a desert environment. The data from an AERONET station in Abu Dhabi, United Arab Emirates, and the collocated Sun and Aureole Measurement instrument which offers reference measurements of the monochromatic profile of solar radiance were exploited. Using the AERONET data both the radiative transfer models libRadtran and SMARTS offer an accurate estimate of the monochromatic DNIS, with a relative root mean square error (RMSE) of 6 % and a coefficient of determination greater than 0.96. The observed relative bias obtained with libRadtran is +2 %, while that obtained with SMARTS is -1 %. After testing two configurations in SMARTS and three in libRadtran for modelling the monochromatic CSNI, libRadtran exhibits the most accurate results when the AERONET aerosol phase function is presented as a two-term Henyey-Greenstein phase function. In this case libRadtran exhibited a relative RMSE and a bias of respectively 27 and -24 % and a coefficient of determination of 0.882. Therefore, AERONET data may very well be used to model the monochromatic DNIS and the monochromatic CSNI. The results are promising and pave the way towards reporting the contribution of the broadband circumsolar irradiance to standard measurements of the beam irradiance.

Bypassing the Kohn-Sham equations with machine learning.

PubMed

Brockherde, Felix; Vogt, Leslie; Li, Li; Tuckerman, Mark E; Burke, Kieron; Müller, Klaus-Robert

2017-10-11

Last year, at least 30,000 scientific papers used the Kohn-Sham scheme of density functional theory to solve electronic structure problems in a wide variety of scientific fields. Machine learning holds the promise of learning the energy functional via examples, bypassing the need to solve the Kohn-Sham equations. This should yield substantial savings in computer time, allowing larger systems and/or longer time-scales to be tackled, but attempts to machine-learn this functional have been limited by the need to find its derivative. The present work overcomes this difficulty by directly learning the density-potential and energy-density maps for test systems and various molecules. We perform the first molecular dynamics simulation with a machine-learned density functional on malonaldehyde and are able to capture the intramolecular proton transfer process. Learning density models now allows the construction of accurate density functionals for realistic molecular systems.Machine learning allows electronic structure calculations to access larger system sizes and, in dynamical simulations, longer time scales. Here, the authors perform such a simulation using a machine-learned density functional that avoids direct solution of the Kohn-Sham equations.

An Electronic Structure Approach to Charge Transfer and Transport in Molecular Building Blocks for Organic Optoelectronics

NASA Astrophysics Data System (ADS)

Hendrickson, Heidi Phillips

A fundamental understanding of charge separation in organic materials is necessary for the rational design of optoelectronic devices suited for renewable energy applications and requires a combination of theoretical, computational, and experimental methods. Density functional theory (DFT) and time-dependent (TD)DFT are cost effective ab-initio approaches for calculating fundamental properties of large molecular systems, however conventional DFT methods have been known to fail in accurately characterizing frontier orbital gaps and charge transfer states in molecular systems. In this dissertation, these shortcomings are addressed by implementing an optimally-tuned range-separated hybrid (OT-RSH) functional approach within DFT and TDDFT. The first part of this thesis presents the way in which RSH-DFT addresses the shortcomings in conventional DFT. Environmentally-corrected RSH-DFT frontier orbital energies are shown to correspond to thin film measurements for a set of organic semiconducting molecules. Likewise, the improved RSH-TDDFT description of charge transfer excitations is benchmarked using a model ethene dimer and silsesquioxane molecules. In the second part of this thesis, RSH-DFT is applied to chromophore-functionalized silsesquioxanes, which are currently investigated as candidates for building blocks in optoelectronic applications. RSH-DFT provides insight into the nature of absorptive and emissive states in silsesquioxanes. While absorption primarily involves transitions localized on one chromophore, charge transfer between chromophores and between chromophore and silsesquioxane cage have been identified. The RSH-DFT approach, including a protocol accounting for complex environmental effects on charge transfer energies, was tested and validated against experimental measurements. The third part of this thesis addresses quantum transport through nano-scale junctions. The ability to quantify a molecular junction via spectroscopic methods is crucial to their technological design and development. Time dependent perturbation theory, employed by non-equilibrium Green's function formalism, is utilized to study the effect of quantum coherences on electron transport and the effect of symmetry breaking on the electronic spectra of model molecular junctions. The fourth part of this thesis presents the design of a physical chemistry course based on a pedagogical approach called Writing-to-Teach. The nature of inaccuracies expressed in student-generated explanations of quantum chemistry topics, and the ability of a peer review process to engage these inaccuracies, is explored within this context.

Gctf: Real-time CTF determination and correction

PubMed Central

Zhang, Kai

2016-01-01

Accurate estimation of the contrast transfer function (CTF) is critical for a near-atomic resolution cryo electron microscopy (cryoEM) reconstruction. Here, a GPU-accelerated computer program, Gctf, for accurate and robust, real-time CTF determination is presented. The main target of Gctf is to maximize the cross-correlation of a simulated CTF with the logarithmic amplitude spectra (LAS) of observed micrographs after background subtraction. Novel approaches in Gctf improve both speed and accuracy. In addition to GPU acceleration (e.g. 10–50×), a fast ‘1-dimensional search plus 2-dimensional refinement (1S2R)’ procedure further speeds up Gctf. Based on the global CTF determination, the local defocus for each particle and for single frames of movies is accurately refined, which improves CTF parameters of all particles for subsequent image processing. Novel diagnosis method using equiphase averaging (EPA) and self-consistency verification procedures have also been implemented in the program for practical use, especially for aims of near-atomic reconstruction. Gctf is an independent program and the outputs can be easily imported into other cryoEM software such as Relion (Scheres, 2012) and Frealign (Grigorieff, 2007). The results from several representative datasets are shown and discussed in this paper. PMID:26592709

31 CFR 205.24 - How are accurate estimates maintained?

Code of Federal Regulations, 2010 CFR

2010-07-01

... EFFICIENT FEDERAL-STATE FUNDS TRANSFERS Rules Applicable to Federal Assistance Programs Included in a... funding technique provisions in the Treasury-State agreement or take other mutually agreed upon corrective... funds to be transferred under the Federal assistance program or program component to which an estimate...

Interaction of monovalent ions with the water liquid-vapor interface - A molecular dynamics study

NASA Technical Reports Server (NTRS)

Wilson, Michael A.; Pohorille, Andrew

1991-01-01

Results of molecular dynamics calculations are presented for a series of ions at infinite dilution near the water liquid-vapor interface. The free energies of ion transfer from the bulk to the interface are discussed, as are the accompanying changes of water structure at the surface and ion mobilities as a function of their proximity to the interface. It is shown that simple dielectric models do not provide an accurate description of ions at the water surface. The results of the study should be useful in the development of better models incorporating the shape and molecular structure of the interface.

Flight Mechanics Project

NASA Technical Reports Server (NTRS)

Steck, Daniel

2009-01-01

This report documents the generation of an outbound Earth to Moon transfer preliminary database consisting of four cases calculated twice a day for a 19 year period. The database was desired as the first step in order for NASA to rapidly generate Earth to Moon trajectories for the Constellation Program using the Mission Assessment Post Processor. The completed database was created running a flight trajectory and optimization program, called Copernicus, in batch mode with the use of newly created Matlab functions. The database is accurate and has high data resolution. The techniques and scripts developed to generate the trajectory information will also be directly used in generating a comprehensive database.

Hyperspectral retrieval of surface reflectances: A new scheme

NASA Astrophysics Data System (ADS)

Thelen, Jean-Claude; Havemann, Stephan

2013-05-01

Here, we present a new prototype algorithm for the simultaneous retrieval of the atmospheric profiles (temperature, humidity, ozone and aerosol) and the surface reflectance from hyperspectral radiance measurements obtained from air/space borne, hyperspectral imagers. The new scheme, proposed here, consists of a fast radiative transfer code, based on empirical orthogonal functions (EOFs), in conjunction with a 1D-Var retrieval scheme. The inclusion of an 'exact' scattering code based on spherical harmonics, allows for an accurate treatment of Rayleigh scattering and scattering by aerosols, water droplets and ice-crystals, thus making it possible to also retrieve cloud and aerosol optical properties, although here we will concentrate on non-cloudy scenes.

Children's Use of Information Quality to Establish Speaker Preferences

ERIC Educational Resources Information Center

Gillis, Randall L.; Nilsen, Elizabeth S.

2013-01-01

Knowledge transfer is most effective when speakers provide good quality (in addition to accurate) information. Two studies investigated whether preschool- (4-5 years old) and school-age (6-7 years old) children prefer speakers who provide sufficient information over those who provide insufficient (yet accurate) information. Children were provided…

Influencing Variables and Moderators of Transfer of Learning to the Workplace within the Area of Staff Development in Higher Education: Research Review

ERIC Educational Resources Information Center

De Rijdt, Catherine; Stes, Ann; van der Vleuten, Cees; Dochy, Filip

2013-01-01

The goal of staff development in higher education is a change in teacher practices to positively influence student learning. In other words, the goal of staff development is the transfer of learning to the workplace. Research illuminates that this transfer of learning to the workplace is a complex issue. To make an accurate assessment of staff…

Two-Way Satellite Time and Frequency Transfer (TWSTFT) Calibration Constancy From Closure Sums

DTIC Science & Technology

2008-12-01

40th Annual Precise Time and Time Interval (PTTI) Meeting 587 TWO-WAY SATELLITE TIME AND FREQUENCY TRANSFER ( TWSTFT ) CALIBRATION...Paris, France Abstract Two-way Satellite Time and Frequency Transfer ( TWSTFT ) is considered to be the most accurate means of long-distance...explanations for small, but non-zero, biases observed in the closure sums of uncalibrated data are presented. I. INTRODUCTION TWSTFT [1] has

Ab initio calculation of pentacene-PbSe hybrid interface for photovoltaic applications.

PubMed

Roy, P; Nguyen, Thao P

2016-07-21

We perform density functional theory (DFT) quantum chemical calculations for the pentacene-PbSe hybrid interface at both molecular and crystal levels. At the interface, the parallel orientation of pentacene on the PbSe surface is found to be the most favorable, analogous to a pentacene-gold interface. The molecule-surface distance and the value of charge transfer from one pentacene molecule to the PbSe surface are estimated at around 4.15 Å and 0.12 e(-) respectively. We found that, standard-LDA/GGA-PBE/hybrid/meta-GGA xc-functionals incorrectly determine the band gaps of both pentacene and PbSe and leads to a failed prediction of the energy alignment in this system. So, we use a relativistic G0W0 functional and accurately model the electronic properties of pentacene and PbSe in both bulk material and near the interface. An energy shift of 0.23 eV, due to the difference in work function at the interface was supplemented after a detailed analysis of the electrostatic potential. The highest occupied molecular orbital level of pentacene is 0.01 eV above PbSe while the lowest unoccupied molecular orbital of pentacene lies 1.70 eV above PbSe, allowing both electrons and holes to transfer along the donor-acceptor junction. Our results provide additional insights into the electronic structure properties of the pentacene-PbSe heterojunction and establish it as a promising and efficient candidate for photovoltaic applications.

Should we care about diurnal temperatures when calculating the precipitation isotope thermometer?

NASA Astrophysics Data System (ADS)

Vachon, R.; Kloeckner, D.

2008-12-01

Long records of the concentrations of stable isotopes of precipitation (SIPs) have long been used as proxies for regional and global climates for periods when meteorological measurements were not made. SIPs' longstanding correlation to local surface temperatures (in many locations) and molecular thermal dynamics have lead to many interpretations of variability in SIPs to be changes in local temperatures. In order to create accurate temperature-SIP transfer functions one needs to link modern SIP concentrations to temperatures of when precipitation happened. A well-sited example of complexities in the temperature-SIP relationships - For simplicity one may assume that annual precipitation occurred at the same time of year throughout a long SIP archive, however, it is possible that the timing of precipitation actually shifted from summer to winter months. If the temperature difference between the seasons is large the SIP archive could be wrongly interpreted as a several degree cooling in average annual temperatures. Temperature changes similar in magnitude to seasonal fluctuations are also observed throughout a given day. What would happen if precipitation shifted from mid-afternoon to nighttime events? This line of thinking implies that diurnal effects plausibly should be considered when calculating SIP-transfer functions. This is particularly convincing when precipitation for a region is powered by middle of the day (summer) heat causing convective precipitation or evening cooling increasing relative humidities near the land's surface. This study examines both theoretical and observed (5 locations within North America) surface temperatures at the time of precipitation throughout a day and estimates diurnal effects on SIP-transfer functions. Ultimately, one must ask, how high does condensation form, and what are daily temperature patterns at those heights?

Building the analytical response in frequency domain of AC biased bolometers. Application to Planck/HFI

NASA Astrophysics Data System (ADS)

Sauvé, Alexandre; Montier, Ludovic

2016-12-01

Context: Bolometers are high sensitivity detector commonly used in Infrared astronomy. The HFI instrument of the Planck satellite makes extensive use of them, but after the satellite launch two electronic related problems revealed critical. First an unexpected excess response of detectors at low optical excitation frequency for ν < 1 Hz, and secondly the Analog To digital Converter (ADC) component had been insufficiently characterized on-ground. These two problems require an exquisite knowledge of detector response. However bolometers have highly nonlinear characteristics, coming from their electrical and thermal coupling making them very difficult to model. Goal: We present a method to build the analytical transfer function in frequency domain which describe the voltage response of an Alternative Current (AC) biased bolometer to optical excitation, based on the standard bolometer model. This model is built using the setup of the Planck/HFI instrument and offers the major improvement of being based on a physical model rather than the currently in use had-hoc model based on Direct Current (DC) bolometer theory. Method: The analytical transfer function expression will be presented in matrix form. For this purpose, we build linearized versions of the bolometer electro thermal equilibrium. A custom description of signals in frequency is used to solve the problem with linear algebra. The model performances is validated using time domain simulations. Results: The provided expression is suitable for calibration and data processing. It can also be used to provide constraints for fitting optical transfer function using real data from steady state electronic response and optical response. The accurate description of electronic response can also be used to improve the ADC nonlinearity correction for quickly varying optical signals.

Thermal analysis of epidermal electronic devices integrated with human skin considering the effects of interfacial thermal resistance

NASA Astrophysics Data System (ADS)

Li, Yuhang; Zhang, Jianpeng; Xing, Yufeng; Song, Jizhou

2018-05-01

Epidermal electronic devices (EEDs) have similar mechanical properties as those of human skin such that they can be integrated with human skin for potential applications in monitoring of human vital signs for diagnostic, therapeutic or surgical functions. Thermal management is critical for EEDs in these applications since excessive heating may cause discomfort. Comprehensive analytical studies, finite element analysis and experiments are carried out to study the effects of interfacial thermal resistance between EEDs and human skin on thermal properties of the EED/skin system in this paper. The coupling between the Fourier heat transfer in EEDs and the bio-heat transfer in human skin is accounted in the analytical model based on the transfer matrix method to give accurate predictions on temperatures, which agree well with finite element analysis and experimental measurements. It is shown that the maximum temperature increase of the EED for the case of imperfect bonding between EED and skin is much higher than that of perfect bonding. These results may help the design of EEDs in bi-integrated applications and suggest a valuable route to evaluate the bonding condition between EEDs and biological tissues.

ODYSSEY: A PUBLIC GPU-BASED CODE FOR GENERAL RELATIVISTIC RADIATIVE TRANSFER IN KERR SPACETIME

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

Pu, Hung-Yi; Yun, Kiyun; Yoon, Suk-Jin

General relativistic radiative transfer calculations coupled with the calculation of geodesics in the Kerr spacetime are an essential tool for determining the images, spectra, and light curves from matter in the vicinity of black holes. Such studies are especially important for ongoing and upcoming millimeter/submillimeter very long baseline interferometry observations of the supermassive black holes at the centers of Sgr A* and M87. To this end we introduce Odyssey, a graphics processing unit (GPU) based code for ray tracing and radiative transfer in the Kerr spacetime. On a single GPU, the performance of Odyssey can exceed 1 ns per photon, per Runge–Kutta integrationmore » step. Odyssey is publicly available, fast, accurate, and flexible enough to be modified to suit the specific needs of new users. Along with a Graphical User Interface powered by a video-accelerated display architecture, we also present an educational software tool, Odyssey-Edu, for showing in real time how null geodesics around a Kerr black hole vary as a function of black hole spin and angle of incidence onto the black hole.« less

Modeling and validation of heat and mass transfer in individual coffee beans during the coffee roasting process using computational fluid dynamics (CFD).

PubMed

Alonso-Torres, Beatriz; Hernández-Pérez, José Alfredo; Sierra-Espinoza, Fernando; Schenker, Stefan; Yeretzian, Chahan

2013-01-01

Heat and mass transfer in individual coffee beans during roasting were simulated using computational fluid dynamics (CFD). Numerical equations for heat and mass transfer inside the coffee bean were solved using the finite volume technique in the commercial CFD code Fluent; the software was complemented with specific user-defined functions (UDFs). To experimentally validate the numerical model, a single coffee bean was placed in a cylindrical glass tube and roasted by a hot air flow, using the identical geometrical 3D configuration and hot air flow conditions as the ones used for numerical simulations. Temperature and humidity calculations obtained with the model were compared with experimental data. The model predicts the actual process quite accurately and represents a useful approach to monitor the coffee roasting process in real time. It provides valuable information on time-resolved process variables that are otherwise difficult to obtain experimentally, but critical to a better understanding of the coffee roasting process at the individual bean level. This includes variables such as time-resolved 3D profiles of bean temperature and moisture content, and temperature profiles of the roasting air in the vicinity of the coffee bean.

Feedback control and heat transfer measurements in a Rayleigh-Bénard convection cell

NASA Astrophysics Data System (ADS)

Vial, M.; Hernández, R. H.

2017-07-01

We report experimental results on the heat transfer and instability onset of a Rayleigh-Bénard convection cell of aspect ratios 6:3:1 filled with a high Prandtl aqueous solution of glycerol under feedback control. We investigate the transient and stationary response of both local temperature readings and heat transfer fluxes on the Rayleigh Bénard cell in both conductive and convective states when we perform two independent feedback control actions on both hot and cold walls. We evaluate the performance of both controllers to maintain a temperature gradient independently if the system is below or above the convection threshold. As the convection cell can be rotated at 180° about the shorter axis of the cell, it was possible to perform transitions between thermal conduction and convection regimes and vice versa under a constant temperature difference maintained by both independent controllers. The experimental setup provided an accurate measurement of the critical Rayleigh number and the evolution of the Nusselt number as a function of the Rayleigh number in the moderately supercritical regime (R a <1 04). Flow visualizations show a steady cellular convection pattern formed by 6 transverse rolls throughout the range of Rayleigh numbers.

Iopamidol as a responsive MRI-chemical exchange saturation transfer contrast agent for pH mapping of kidneys: In vivo studies in mice at 7 T.

PubMed

Longo, Dario Livio; Dastrù, Walter; Digilio, Giuseppe; Keupp, Jochen; Langereis, Sander; Lanzardo, Stefania; Prestigio, Simone; Steinbach, Oliver; Terreno, Enzo; Uggeri, Fulvio; Aime, Silvio

2011-01-01

Iopamidol (Isovue®-Bracco Diagnostic Inc.) is a clinically approved X-Ray contrast agent used in the last 30 years for a wide variety of diagnostic applications with a very good clinical acceptance. Iopamidol contains two types of amide functionalities that can be exploited for the generation of chemical exchange saturation transfer effect. The exchange rate of the two amide proton pools is markedly pH-dependent. Thus, a ratiometric method for pH assessment has been set-up based on the comparison of the saturation transfer effects induced by selective irradiation of the two resonances. This ratiometric approach allows to rule out the concentration effect of the contrast agent and provides accurate pH measurements in the 5.5-7.4 range. Upon injection of Iopamidol into healthy mice, it has been possible to acquire pH maps of kidney regions. Furthermore, it has been also shown that the proposed method is able to report about pH-changes induced in control mice fed with acidified or basified water for a period of a week before image acquisition. © 2010 Wiley-Liss, Inc.

Accurate numerical forward model for optimal retracking of SIRAL2 SAR echoes over open ocean

NASA Astrophysics Data System (ADS)

Phalippou, L.; Demeestere, F.

2011-12-01

The SAR mode of SIRAL-2 on board Cryosat-2 has been designed to measure primarily sea-ice and continental ice (Wingham et al. 2005). In 2005, K. Raney (KR, 2005) pointed out the improvements brought by SAR altimeter for open ocean. KR results were mostly based on 'rule of thumb' considerations on speckle noise reduction due to the higher PRF and to speckle decorrelation after SAR processing. In 2007, Phalippou and Enjolras (PE,2007) provided the theoretical background for optimal retracking of SAR echoes over ocean with a focus on the forward modelling of the power-waveforms. The accuracies of geophysical parameters (range, significant wave heights, and backscattering coefficient) retrieved from SAR altimeter data were derived accounting for SAR echo shape and speckle noise accurate modelling. The step forward to optimal retracking using numerical forward model (NFM) was also pointed out. NFM of the power waveform avoids analytical approximation, a warranty to minimise the geophysical dependent biases in the retrieval. NFM have been used for many years, in operational meteorology in particular, for retrieving temperature and humidity profiles from IR and microwave radiometers as the radiative transfer function is complex (Eyre, 1989). So far this technique was not used in the field of ocean conventional altimetry as analytical models (e.g. Brown's model for instance) were found to give sufficient accuracy. However, although NFM seems desirable even for conventional nadir altimetry, it becomes inevitable if one wish to process SAR altimeter data as the transfer function is too complex to be approximated by a simple analytical function. This was clearly demonstrated in PE 2007. The paper describes the background to SAR data retracking over open ocean. Since PE 2007 improvements have been brought to the forward model and it is shown that the altimeter on-ground and in flight characterisation (e.g antenna pattern range impulse response, azimuth impulse response, altimeter transfer function) can be accurately accounted for, in order to minimise the systematic errors in the retrieval. The paper presents the retrieval of range and SWH for several Cryosat 2 orbits arcs, spanning different sea state conditions. The retrieval results are found to be in excellent agreement with the noise expectations derived from the Cramer-Rao bounds (see PE 2007.). The improvement upon conventional Low Resolution mode is about a factor of two in range. Improvements in SWH accuracy is also discussed. Comparisons with the MSL and conventional LRM-like retracking is also shown. Finally, the paper will give some insights for future oceanic altimetry missions. References : Wingham et al., 2005 : CryoSat: A mission to determine the fluctuations in Earth's land and marine ice fields. Advances in Space Research 37 (2006) 841-871 Raney, R.K. 2005 : Resolution and precision ofa delayDoppler Radar Altimeter, Proc IEEE OCEANS 2005. Phalippou L, V. Enjolras 2007 : Re-tracking of SAR altimeter ocean power waveforms and related accuracies of Sea surface Height, significant wave height and wind speed. Proc IEEE IGARSS 2007. Eyre, J. 1989 : Inversion of cloudy satellite radiances by non linear estimation : Theory and simulation for TOVS. Quaterly Journal of the Royal Meteorological Society, 115, pp1001-1026.

Cryogenic Propellant Storage and Transfer (CPST) Technology Demonstration Mission (TDM)

NASA Technical Reports Server (NTRS)

Chojnacki, Kent

2013-01-01

Objectives: 1) Store cryogenic propellants in a manner that maximizes their availability for use regardless of mission duration. 2) Efficiently transfer conditioned cryogenic propellant to an engine or tank situated in a microgravity environment. 3) Accurately monitor and gauge cryogenic propellants situated in a microgravity environment.

Investigating Aerosol Morphology Using Scattering Phase Functions Measured with a Laser Imaging Nephelometer

NASA Astrophysics Data System (ADS)

Manfred, K.; Adler, G. A.; Erdesz, F.; Franchin, A.; Lamb, K. D.; Schwarz, J. P.; Wagner, N.; Washenfelder, R. A.; Womack, C.; Murphy, D. M.

2017-12-01

Particle morphology has important implications for light scattering and radiative transfer, but can be difficult to measure. Biomass burning and other important aerosol sources can generate a mixture of both spherical and non-spherical particle morphologies, and it is necessary to represent these populations correctly in models. We describe a laser imaging nephelometer that measures the unpolarized scattering phase function of bulk aerosol at 375 and 405 nm using a wide-angle lens and CCD. We deployed this instrument to the Missoula Fire Sciences Laboratory to measure biomass burning aerosol morphology from controlled fires during the recent FIREX intensive laboratory study. Total integrated scattering signal agreed with that determined by a cavity ring-down photoacoustic spectrometer system and a traditional integrating nephelometer within instrument uncertainties. We compared measured scattering phase functions at 405 nm to theoretical models for spherical (Mie) and fractal (Rayleigh-Debye-Gans) particle morphologies based on the size distribution reported by an optical particle counter. We show that particle morphology can vary dramatically for different fuel types, and present results for two representative fires (pine tree vs arid shrub). We find that Mie theory is inadequate to describe the actual behavior of realistic aerosols from biomass burning in some situations. This study demonstrates the capabilities of the laser imaging nephelometer instrument to provide real-time, in situ information about dominant particle morphology that is vital for accurate radiative transfer calculations.

Vertical Photon Transport in Cloud Remote Sensing Problems

NASA Technical Reports Server (NTRS)

Platnick, S.

1999-01-01

Photon transport in plane-parallel, vertically inhomogeneous clouds is investigated and applied to cloud remote sensing techniques that use solar reflectance or transmittance measurements for retrieving droplet effective radius. Transport is couched in terms of weighting functions which approximate the relative contribution of individual layers to the overall retrieval. Two vertical weightings are investigated, including one based on the average number of scatterings encountered by reflected and transmitted photons in any given layer. A simpler vertical weighting based on the maximum penetration of reflected photons proves useful for solar reflectance measurements. These weighting functions are highly dependent on droplet absorption and solar/viewing geometry. A superposition technique, using adding/doubling radiative transfer procedures, is derived to accurately determine both weightings, avoiding time consuming Monte Carlo methods. Superposition calculations are made for a variety of geometries and cloud models, and selected results are compared with Monte Carlo calculations. Effective radius retrievals from modeled vertically inhomogeneous liquid water clouds are then made using the standard near-infrared bands, and compared with size estimates based on the proposed weighting functions. Agreement between the two methods is generally within several tenths of a micrometer, much better than expected retrieval accuracy. Though the emphasis is on photon transport in clouds, the derived weightings can be applied to any multiple scattering plane-parallel radiative transfer problem, including arbitrary combinations of cloud, aerosol, and gas layers.

Large eddy simulation for predicting turbulent heat transfer in gas turbines

PubMed Central

Tafti, Danesh K.; He, Long; Nagendra, K.

2014-01-01

Blade cooling technology will play a critical role in the next generation of propulsion and power generation gas turbines. Accurate prediction of blade metal temperature can avoid the use of excessive compressed bypass air and allow higher turbine inlet temperature, increasing fuel efficiency and decreasing emissions. Large eddy simulation (LES) has been established to predict heat transfer coefficients with good accuracy under various non-canonical flows, but is still limited to relatively simple geometries and low Reynolds numbers. It is envisioned that the projected increase in computational power combined with a drop in price-to-performance ratio will make system-level simulations using LES in complex blade geometries at engine conditions accessible to the design process in the coming one to two decades. In making this possible, two key challenges are addressed in this paper: working with complex intricate blade geometries and simulating high-Reynolds-number (Re) flows. It is proposed to use the immersed boundary method (IBM) combined with LES wall functions. A ribbed duct at Re=20 000 is simulated using the IBM, and a two-pass ribbed duct is simulated at Re=100 000 with and without rotation (rotation number Ro=0.2) using LES with wall functions. The results validate that the IBM is a viable alternative to body-conforming grids and that LES with wall functions reproduces experimental results at a much lower computational cost. PMID:25024418

Multi-Site Diagnostic Classification of Schizophrenia Using Discriminant Deep Learning with Functional Connectivity MRI.

PubMed

Zeng, Ling-Li; Wang, Huaning; Hu, Panpan; Yang, Bo; Pu, Weidan; Shen, Hui; Chen, Xingui; Liu, Zhening; Yin, Hong; Tan, Qingrong; Wang, Kai; Hu, Dewen

2018-04-01

A lack of a sufficiently large sample at single sites causes poor generalizability in automatic diagnosis classification of heterogeneous psychiatric disorders such as schizophrenia based on brain imaging scans. Advanced deep learning methods may be capable of learning subtle hidden patterns from high dimensional imaging data, overcome potential site-related variation, and achieve reproducible cross-site classification. However, deep learning-based cross-site transfer classification, despite less imaging site-specificity and more generalizability of diagnostic models, has not been investigated in schizophrenia. A large multi-site functional MRI sample (n = 734, including 357 schizophrenic patients from seven imaging resources) was collected, and a deep discriminant autoencoder network, aimed at learning imaging site-shared functional connectivity features, was developed to discriminate schizophrenic individuals from healthy controls. Accuracies of approximately 85·0% and 81·0% were obtained in multi-site pooling classification and leave-site-out transfer classification, respectively. The learned functional connectivity features revealed dysregulation of the cortical-striatal-cerebellar circuit in schizophrenia, and the most discriminating functional connections were primarily located within and across the default, salience, and control networks. The findings imply that dysfunctional integration of the cortical-striatal-cerebellar circuit across the default, salience, and control networks may play an important role in the "disconnectivity" model underlying the pathophysiology of schizophrenia. The proposed discriminant deep learning method may be capable of learning reliable connectome patterns and help in understanding the pathophysiology and achieving accurate prediction of schizophrenia across multiple independent imaging sites. Copyright © 2018 German Center for Neurodegenerative Diseases (DZNE). Published by Elsevier B.V. All rights reserved.

A Research Program for Improving Heat Transfer Prediction Capability for the Laminar to Turbulent Transition Region of Turbine Vanes/Blades

NASA Technical Reports Server (NTRS)

Simon, Frederick F.

2007-01-01

A program sponsored by the National Aeronautics and Space Administration (NASA) for the investigation of the heat transfer in the transition region of turbine vanes and blades with the object of improving the capability for predicting heat transfer is described,. The accurate prediction of gas-side heat transfer is important to the determination of turbine longevity, engine performance and developmental costs. The need for accurate predictions will become greater as the operating temperatures and stage loading levels of advanced turbine engines increase. The present methods for predicting transition shear stress and heat transfer on turbine blades are based on incomplete knowledge and are largely empirical. To meet the objectives of the NASA program, a team approach consisting of researchers from government, universities, a research institute, and a small business is presented. The research is divided into areas of experimentation, direct numerical simulation (DNS) and turbulence modeling. A summary of the results to date is given for the above research areas in a high-disturbance environment (bypass transition) with a discussion of the model development necessary for use in numerical codes.

Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach.

PubMed

Ramakrishnan, Raghunathan; Dral, Pavlo O; Rupp, Matthias; von Lilienfeld, O Anatole

2015-05-12

Chemically accurate and comprehensive studies of the virtual space of all possible molecules are severely limited by the computational cost of quantum chemistry. We introduce a composite strategy that adds machine learning corrections to computationally inexpensive approximate legacy quantum methods. After training, highly accurate predictions of enthalpies, free energies, entropies, and electron correlation energies are possible, for significantly larger molecular sets than used for training. For thermochemical properties of up to 16k isomers of C7H10O2 we present numerical evidence that chemical accuracy can be reached. We also predict electron correlation energy in post Hartree-Fock methods, at the computational cost of Hartree-Fock, and we establish a qualitative relationship between molecular entropy and electron correlation. The transferability of our approach is demonstrated, using semiempirical quantum chemistry and machine learning models trained on 1 and 10% of 134k organic molecules, to reproduce enthalpies of all remaining molecules at density functional theory level of accuracy.

Machine learning of accurate energy-conserving molecular force fields.

PubMed

Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E; Poltavsky, Igor; Schütt, Kristof T; Müller, Klaus-Robert

2017-05-01

Using conservation of energy-a fundamental property of closed classical and quantum mechanical systems-we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol -1 for energies and 1 kcal mol -1 Å̊ -1 for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods.

Accurate reconstruction of the jV-characteristic of organic solar cells from measurements of the external quantum efficiency

NASA Astrophysics Data System (ADS)

Meyer, Toni; Körner, Christian; Vandewal, Koen; Leo, Karl

2018-04-01

In two terminal tandem solar cells, the current density - voltage (jV) characteristic of the individual subcells is typically not directly measurable, but often required for a rigorous device characterization. In this work, we reconstruct the jV-characteristic of organic solar cells from measurements of the external quantum efficiency under applied bias voltages and illumination. We show that it is necessary to perform a bias irradiance variation at each voltage and subsequently conduct a mathematical correction of the differential to the absolute external quantum efficiency to obtain an accurate jV-characteristic. Furthermore, we show that measuring the external quantum efficiency as a function of voltage for a single bias irradiance of 0.36 AM1.5g equivalent sun provides a good approximation of the photocurrent density over voltage curve. The method is tested on a selection of efficient, common single-junctions. The obtained conclusions can easily be transferred to multi-junction devices with serially connected subcells.

Machine learning of accurate energy-conserving molecular force fields

PubMed Central

Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E.; Poltavsky, Igor; Schütt, Kristof T.; Müller, Klaus-Robert

2017-01-01

Using conservation of energy—a fundamental property of closed classical and quantum mechanical systems—we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol−1 for energies and 1 kcal mol−1 Å̊−1 for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods. PMID:28508076

Unraveling the charge transfer/electron transport in mesoporous semiconductive TiO2 films by voltabsorptometry.

PubMed

Renault, Christophe; Nicole, Lionel; Sanchez, Clément; Costentin, Cyrille; Balland, Véronique; Limoges, Benoît

2015-04-28

In this work, we demonstrate that chronoabsorptometry and more specifically cyclic voltabsorptometry are particularly well suited techniques for acquiring a comprehensive understanding of the dynamics of electron transfer/charge transport within a transparent mesoporous semiconductive metal oxide film loaded with a redox-active dye. This is illustrated with the quantitative analysis of the spectroelectrochemical responses of two distinct heme-based redox probes adsorbed in highly-ordered mesoporous TiO2 thin films (prepared from evaporation-induced self-assembly, EISA). On the basis of a finite linear diffusion-reaction model as well as the establishment of the analytical expressions governing the limiting cases, it was possible to quantitatively analyse, predict and interpret the unusual voltabsorptometric responses of the adsorbed redox species as a function of the potential applied to the semiconductive film (i.e., as a function of the transition from an insulating to a conductive state or vice versa). In particular, we were able to accurately determine the interfacial charge transfer rates between the adsorbed redox species and the porous semiconductor. Another important and unexpected finding, inferred from the voltabsorptograms, is an interfacial electron transfer process predominantly governed by the extended conduction band states of the EISA TiO2 film and not by the localized traps in the bandgap. This is a significant result that contrasts those previously observed for dye-sensitized solar cells formed of randomly sintered TiO2 nanoparticles, a behaviour that was ascribed to a particularly low density of localized surface states in EISA TiO2. The present methodology also provides a unique and straightforward access to an activation-driving force relationship according to the Marcus theory, thus opening new opportunities not only to investigate the driving-force effects on electron recombination dynamics in dye-sensitized solar cells but also to study the electron transfer/transport mechanisms in heterogeneous photoelectrocatalytic systems combining nanostructured semiconductor electrodes and heterogeneous redox-active catalysts.

Fast and Accurate Hybrid Stream PCRTMSOLAR Radiative Transfer Model for Reflected Solar Spectrum Simulation in the Cloudy Atmosphere

NASA Technical Reports Server (NTRS)

Yang, Qiguang; Liu, Xu; Wu, Wan; Kizer, Susan; Baize, Rosemary R.

2016-01-01

A hybrid stream PCRTM-SOLAR model has been proposed for fast and accurate radiative transfer simulation. It calculates the reflected solar (RS) radiances with a fast coarse way and then, with the help of a pre-saved matrix, transforms the results to obtain the desired high accurate RS spectrum. The methodology has been demonstrated with the hybrid stream discrete ordinate (HSDO) radiative transfer (RT) model. The HSDO method calculates the monochromatic radiances using a 4-stream discrete ordinate method, where only a small number of monochromatic radiances are simulated with both 4-stream and a larger N-stream (N = 16) discrete ordinate RT algorithm. The accuracy of the obtained channel radiance is comparable to the result from N-stream moderate resolution atmospheric transmission version 5 (MODTRAN5). The root-mean-square errors are usually less than 5x10(exp -4) mW/sq cm/sr/cm. The computational speed is three to four-orders of magnitude faster than the medium speed correlated-k option MODTRAN5. This method is very efficient to simulate thousands of RS spectra under multi-layer clouds/aerosols and solar radiation conditions for climate change study and numerical weather prediction applications.

Near transferable phenomenological n-body potentials for noble metals

NASA Astrophysics Data System (ADS)

Pontikis, Vassilis; Baldinozzi, Gianguido; Luneville, Laurence; Simeone, David

2017-09-01

We present a semi-empirical model of cohesion in noble metals with suitable parameters reproducing a selected set of experimental properties of perfect and defective lattices in noble metals. It consists of two short-range, n-body terms accounting respectively for attractive and repulsive interactions, the former deriving from the second moment approximation of the tight-binding scheme and the latter from the gas approximation of the kinetic energy of electrons. The stability of the face centred cubic versus the hexagonal compact stacking is obtained via a long-range, pairwise function of customary use with ionic pseudo-potentials. Lattice dynamics, molecular statics, molecular dynamics and nudged elastic band calculations show that, unlike previous potentials, this cohesion model reproduces and predicts quite accurately thermodynamic properties in noble metals. In particular, computed surface energies, largely underestimated by existing empirical cohesion models, compare favourably with measured values, whereas predicted unstable stacking-fault energy profiles fit almost perfectly ab initio evaluations from the literature. All together the results suggest that this semi-empirical model is nearly transferable.

Near transferable phenomenological n-body potentials for noble metals.

PubMed

Pontikis, Vassilis; Baldinozzi, Gianguido; Luneville, Laurence; Simeone, David

2017-09-06

We present a semi-empirical model of cohesion in noble metals with suitable parameters reproducing a selected set of experimental properties of perfect and defective lattices in noble metals. It consists of two short-range, n-body terms accounting respectively for attractive and repulsive interactions, the former deriving from the second moment approximation of the tight-binding scheme and the latter from the gas approximation of the kinetic energy of electrons. The stability of the face centred cubic versus the hexagonal compact stacking is obtained via a long-range, pairwise function of customary use with ionic pseudo-potentials. Lattice dynamics, molecular statics, molecular dynamics and nudged elastic band calculations show that, unlike previous potentials, this cohesion model reproduces and predicts quite accurately thermodynamic properties in noble metals. In particular, computed surface energies, largely underestimated by existing empirical cohesion models, compare favourably with measured values, whereas predicted unstable stacking-fault energy profiles fit almost perfectly ab initio evaluations from the literature. All together the results suggest that this semi-empirical model is nearly transferable.

The hydrogen tunneling splitting in malonaldehyde: A full-dimensional time-independent quantum mechanical method

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

Wu, Feng; Ren, Yinghui; Bian, Wensheng, E-mail: bian@iccas.ac.cn

The accurate time-independent quantum dynamics calculations on the ground-state tunneling splitting of malonaldehyde in full dimensionality are reported for the first time. This is achieved with an efficient method developed by us. In our method, the basis functions are customized for the hydrogen transfer process which has the effect of greatly reducing the size of the final Hamiltonian matrix, and the Lanczos method and parallel strategy are used to further overcome the memory and central processing unit time bottlenecks. The obtained ground-state tunneling splitting of 24.5 cm{sup −1} is in excellent agreement with the benchmark value of 23.8 cm{sup −1}more » computed with the full-dimensional, multi-configurational time-dependent Hartree approach on the same potential energy surface, and we estimate that our reported value has an uncertainty of less than 0.5 cm{sup −1}. Moreover, the role of various vibrational modes strongly coupled to the hydrogen transfer process is revealed.« less

Life History Traits and Niche Instability Impact Accuracy and Temporal Transferability for Historically Calibrated Distribution Models of North American Birds

PubMed Central

Wogan, Guinevere O. U.

2016-01-01

A primary assumption of environmental niche models (ENMs) is that models are both accurate and transferable across geography or time; however, recent work has shown that models may be accurate but not highly transferable. While some of this is due to modeling technique, individual species ecologies may also underlie this phenomenon. Life history traits certainly influence the accuracy of predictive ENMs, but their impact on model transferability is less understood. This study investigated how life history traits influence the predictive accuracy and transferability of ENMs using historically calibrated models for birds. In this study I used historical occurrence and climate data (1950-1990s) to build models for a sample of birds, and then projected them forward to the ‘future’ (1960-1990s). The models were then validated against models generated from occurrence data at that ‘future’ time. Internal and external validation metrics, as well as metrics assessing transferability, and Generalized Linear Models were used to identify life history traits that were significant predictors of accuracy and transferability. This study found that the predictive ability of ENMs differs with regard to life history characteristics such as range, migration, and habitat, and that the rarity versus commonness of a species affects the predicted stability and overlap and hence the transferability of projected models. Projected ENMs with both high accuracy and transferability scores, still sometimes suffered from over- or under- predicted species ranges. Life history traits certainly influenced the accuracy of predictive ENMs for birds, but while aspects of geographic range impact model transferability, the mechanisms underlying this are less understood. PMID:26959979

Time and Frequency Activities at The U.S. Naval Observatory

DTIC Science & Technology

2011-01-01

TWSTFT ) The most accurate means of operational long-distance time transfer is generally believed to be TWSTT [15-18], although the most precise...Frequency Transfer ( TWSTFT ),” Review of Radio Science (Oxford Science Publications), pp. 27-44. [16] L. A. Breakiron, A. L. Smith, B. C. Fonville...Matsakis, L. Breakiron, A. Bauch, D. Piester, D., and Z. Jiang, 2009, “Two-Way Satellite Time and Frequency ( TWSTFT ) Transfer Calibration Constancy from

Time and Frequency Activities at the U.S. Naval Observatory

DTIC Science & Technology

2010-01-01

TWSTT, ALSO REFERRED TO AS TWO-WAY SATELLITE TIME AND FREQUENCY TRANSFER ( TWSTFT ) The most accurate means of operational long-distance time...Frequency Transfer ( TWSTFT ),” Review of Radio Science (Oxford Science Publications), pp. 27-44. [25] L. A. Breakiron, A. L. Smith, B. C. Fonville, E...Breakiron, A. Bauch, D. Piester, D., and Z. Jiang, 2009, “Two-Way Satellite Time and Frequency ( TWSTFT ) Transfer Calibration Constancy from Closure

5 CFR 351.303 - Identification of positions with a transferring function.

Code of Federal Regulations, 2013 CFR

2013-01-01

... transferring function. 351.303 Section 351.303 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE REGULATIONS REDUCTION IN FORCE Transfer of Function § 351.303 Identification of positions with a transferring function. (a) The competitive area losing the function is responsible for identifying the...

5 CFR 351.303 - Identification of positions with a transferring function.

Code of Federal Regulations, 2014 CFR

2014-01-01

... transferring function. 351.303 Section 351.303 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE REGULATIONS REDUCTION IN FORCE Transfer of Function § 351.303 Identification of positions with a transferring function. (a) The competitive area losing the function is responsible for identifying the...

Analysis of Material Sample Heated by Impinging Hot Hydrogen Jet in a Non-Nuclear Tester

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Foote, John; Litchford, Ron

2006-01-01

A computational conjugate heat transfer methodology was developed and anchored with data obtained from a hot-hydrogen jet heated, non-nuclear materials tester, as a first step towards developing an efficient and accurate multiphysics, thermo-fluid computational methodology to predict environments for hypothetical solid-core, nuclear thermal engine thrust chamber. The computational methodology is based on a multidimensional, finite-volume, turbulent, chemically reacting, thermally radiating, unstructured-grid, and pressure-based formulation. The multiphysics invoked in this study include hydrogen dissociation kinetics and thermodynamics, turbulent flow, convective and thermal radiative, and conjugate heat transfers. Predicted hot hydrogen jet and material surface temperatures were compared with those of measurement. Predicted solid temperatures were compared with those obtained with a standard heat transfer code. The interrogation of physics revealed that reactions of hydrogen dissociation and recombination are highly correlated with local temperature and are necessary for accurate prediction of the hot-hydrogen jet temperature.

Investigation on the heat transfer characteristics during flow boiling of liquefied natural gas in a vertical micro-fin tube

NASA Astrophysics Data System (ADS)

Xu, Bin; Shi, Yumei; Chen, Dongsheng

2014-03-01

This paper presents an experimental investigation on the heat transfer characteristics of liquefied natural gas flow boiling in a vertical micro-fin tube. The effect of heat flux, mass flux and inlet pressure on the flow boiling heat transfer coefficients was analyzed. The Kim, Koyama, and two kinds of Wellsandt correlations with different Ftp coefficients were used to predict the flow boiling heat transfer coefficients. The predicted results showed that the Koyama correlation was the most accurate over the range of experimental conditions.

Minimal Model of Quantum Kinetic Clusters for the Energy-Transfer Network of a Light-Harvesting Protein Complex.

PubMed

Wu, Jianlan; Tang, Zhoufei; Gong, Zhihao; Cao, Jianshu; Mukamel, Shaul

2015-04-02

The energy absorbed in a light-harvesting protein complex is often transferred collectively through aggregated chromophore clusters. For population evolution of chromophores, the time-integrated effective rate matrix allows us to construct quantum kinetic clusters quantitatively and determine the reduced cluster-cluster transfer rates systematically, thus defining a minimal model of energy-transfer kinetics. For Fenna-Matthews-Olson (FMO) and light-havrvesting complex II (LCHII) monomers, quantum Markovian kinetics of clusters can accurately reproduce the overall energy-transfer process in the long-time scale. The dominant energy-transfer pathways are identified in the picture of aggregated clusters. The chromophores distributed extensively in various clusters can assist a fast and long-range energy transfer.

Understanding of anesthesia machine function is enhanced with a transparent reality simulation.

PubMed

Fischler, Ira S; Kaschub, Cynthia E; Lizdas, David E; Lampotang, Samsun

2008-01-01

Photorealistic simulations may provide efficient transfer of certain skills to the real system, but by being opaque may fail to encourage deeper learning of the structure and function of the system. Schematic simulations that are more abstract, with less visual fidelity but make system structure and function transparent, may enhance deeper learning and optimize retention and transfer of learning. We compared learning effectiveness of these 2 modes of externalizing the output of a common simulation engine (the Virtual Anesthesia Machine, VAM) that models machine function and dynamics and responds in real time to user interventions such as changes in gas flow or ventilation. Undergraduate students (n = 39) and medical students (n = 35) were given a single, 1-hour guided learning session with either a Transparent or an Opaque version of the VAM simulation. The following day, the learners' knowledge of machine components, function, and dynamics was tested. The Transparent-VAM groups scored higher than the Opaque-VAM groups on a set of multiple-choice questions concerning conceptual knowledge about anesthesia machines (P = 0.009), provided better and more complete explanations of component function (P = 0.003), and were more accurate in remembering and inferring cause-and-effect dynamics of the machine and relations among components (P = 0.003). Although the medical students outperformed undergraduates on all measures, a similar pattern of benefits for the Transparent VAM was observed for these 2 groups. Schematic simulations that transparently allow learners to visualize, and explore, underlying system dynamics and relations among components may provide a more effective mental model for certain systems. This may lead to a deeper understanding of how the system works, and therefore, we believe, how to detect and respond to potentially adverse situations.

Problems with multiple use of transfer buffer in protein electrophoretic transfer.

PubMed

Dorri, Yaser; Kurien, Biji T; Scofield, R Hal

2010-04-01

Two-dimensional gel electrophoresis (2DE) and SDS-PAGE are the two most useful methods in protein separation. Proteins separated by 2DE or SDS-PAGE are usually transferred to membranes using a variety of methods, such as electrophoretic transfer, heat-mediated transfer, or nonelectrophoretic transfer, for specific protein detection and/or analysis. In a recent study, Pettegrew et al. claim to reuse transfer buffer containing methanol for at least five times for transferring proteins from SDS-PAGE to polyvinylidene difluoride. They add 150-200 ml fresh transfer solution each time for extended use as a result of loss of transfer buffer. Finally, they test efficiency of each protein transfer by chemiluminescence detection. Here, we comment on this report, as we believe this method is not accurate and useful for protein analysis, and it can cause background binding as well as inaccurate protein analysis.

The physiological basis of Glottal electromagnetic micropower sensors (GEMS) and their use in defining an excitation function for the human vocal tract

NASA Astrophysics Data System (ADS)

Burnett, Gregory Clell

1999-10-01

The definition, use, and physiological basis of Glottal Electromagnetic Micropower Sensors (GEMS) is presented. These sensors are a new type of low power (<20 milliwatts radiated) microwave regime (900 MHz to 2.5 GHz) multi-purpose motion sensor developed at the Lawrence Livermore National Laboratory. The GEMS are sensitive to movement in an adjustable field of view (FOV) surrounding the antennae. In this thesis, the GEMS has been utilized for speech research, targeted to receive motion signals from the subglottal region of the trachea. The GEMS signal is analyzed to determine the physiological source of the signal, and this information is used to calculate the subglottal pressure, effectively an excitation function for the human vocal tract. For the first time, an excitation function may be calculated in near real time using a noninvasive procedure. Several experiments and models are presented to demonstrate that the GEMS signal is representative of the motion of the subglottal posterior wall of the trachea as it vibrates in response to the pressure changes caused by the folds as they modulate the airflow supplied by the lungs. The vibrational properties of the tracheal wall are modeled using a lumped-element circuit model. Taking the output of the vocal tract to be the audio pressure captured by a microphone and the input to be the subglottal pressure, the transfer function of the vocal tract (including the nasal cavities) can be approximated every 10-30 milliseconds using an autoregressive moving-average model. Unlike the currently utilized method of transfer function approximation, this new method only involves noninvasive GEMS measurements and digital signal processing and does not demand the difficult task of obtaining precise physical measurements of the tract and subsequent estimation of the transfer function using its cross-sectional area. The ability to measure the physical motion of the trachea enables a significant number of potential applications, ranging from very accurate pitch detection to speech synthesis, speaker verification, and speech recognition.

A comprehensive model for x-ray projection imaging system efficiency and image quality characterization in the presence of scattered radiation

NASA Astrophysics Data System (ADS)

Monnin, P.; Verdun, F. R.; Bosmans, H.; Rodríguez Pérez, S.; Marshall, N. W.

2017-07-01

This work proposes a method for assessing the detective quantum efficiency (DQE) of radiographic imaging systems that include both the x-ray detector and the antiscatter device. Cascaded linear analysis of the antiscatter device efficiency (DQEASD) with the x-ray detector DQE is used to develop a metric of system efficiency (DQEsys); the new metric is then related to the existing system efficiency parameters of effective DQE (eDQE) and generalized DQE (gDQE). The effect of scatter on signal transfer was modelled through its point spread function (PSF), leading to an x-ray beam transfer function (BTF) that multiplies with the classical presampling modulation transfer function (MTF) to give the system MTF. Expressions are then derived for the influence of scattered radiation on signal-difference to noise ratio (SDNR) and contrast-detail (c-d) detectability. The DQEsys metric was tested using two digital mammography systems, for eight x-ray beams (four with and four without scatter), matched in terms of effective energy. The model was validated through measurements of contrast, SDNR and MTF for poly(methyl)methacrylate thicknesses covering the range of scatter fractions expected in mammography. The metric also successfully predicted changes in c-d detectability for different scatter conditions. Scatter fractions for the four beams with scatter were established with the beam stop method using an extrapolation function derived from the scatter PSF, and validated through Monte Carlo (MC) simulations. Low-frequency drop of the MTF from scatter was compared to both theory and MC calculations. DQEsys successfully quantified the influence of the grid on SDNR and accurately gave the break-even object thickness at which system efficiency was improved by the grid. The DQEsys metric is proposed as an extension of current detector characterization methods to include a performance evaluation in the presence of scattered radiation, with an antiscatter device in place.

Cryogenic Propellant Storage and Transfer (CPST) Technology Demonstration For Long Duration In-Space Missions

NASA Technical Reports Server (NTRS)

Meyer, Michael L.; Motil, Susan M.; Kortes, Trudy F.; Taylor, William J.; McRight, Patrick S.

2012-01-01

(1) Store cryogenic propellants in a manner that maximizes their availability for use regardless of mission duration; (2) Efficiently transfer conditioned cryogenic propellant to an engine or tank situated in a microgravity environment; and (3) Accurately monitor and gauge cryogenic propellants situated in a microgravity environment

Motivational and Metacognitive Aspects of Strategy Use and Transfer.

ERIC Educational Resources Information Center

Weed, Keri; And Others

The influences of locus of control, awareness of control and metacognition on the use and transfer of a trained strategy were examined. Specifically, it was hypothesized that internal locus of control would be associated with more strategic performance, and that those children who were able to both accurately assess their performance with and…

Synchrotron phase-contrast X-ray imaging reveals fluid dosing dynamics for gene transfer into mouse airways.

PubMed

Donnelley, M; Siu, K K W; Jamison, R A; Parsons, D W

2012-01-01

Although airway gene transfer research in mouse models relies on bolus fluid dosing into the nose or trachea, the dynamics and immediate fate of delivered gene transfer agents are poorly understood. In particular, this is because there are no in vivo methods able to accurately visualize the movement of fluid in small airways of intact animals. Using synchrotron phase-contrast X-ray imaging, we show that the fate of surrogate fluid doses delivered into live mouse airways can now be accurately and non-invasively monitored with high spatial and temporal resolution. This new imaging approach can help explain the non-homogenous distributions of gene expression observed in nasal airway gene transfer studies, suggests that substantial dose losses may occur at deliver into mouse trachea via immediate retrograde fluid motion and shows the influence of the speed of bolus delivery on the relative targeting of conducting and deeper lung airways. These findings provide insight into some of the factors that can influence gene expression in vivo, and this method provides a new approach to documenting and analyzing dose delivery in small-animal models.

Screening fungicides for use in fish culture: Evaluation of the agar plug transfer, cellophane transfer, and agar dilution methods

USGS Publications Warehouse

Bailey, Tom A.

1983-01-01

The reliability, reproducibility, and usefulness of three screening methods -- the cellophane transfer, the agar plug transfer, and the agar dilution -- to screen aquatic fungicides were evaluated. Achlya flagellata and Saprolegnia hypogyna were exposed to 1, 10, and 100 mg/L of malachite green to test each method. The cellophane transfer and agar plug transfer techniques had similar reliability and reproducibility in rating fungicidal activity, and were both superior to the agar dilution technique. The agar plug transfer and agar dilution techniques adequately projected in vivo activity of malachite green, but the cellophane transfer technique overestimated its activity. Overall, the agar plug transfer technique most accurately rated the activity of malachite green and was the easiest test to perform. It therefore appears to be the method of choice for testing aquatic fungicides.

Laplace Transform Based Radiative Transfer Studies

NASA Astrophysics Data System (ADS)

Hu, Y.; Lin, B.; Ng, T.; Yang, P.; Wiscombe, W.; Herath, J.; Duffy, D.

2006-12-01

Multiple scattering is the major uncertainty for data analysis of space-based lidar measurements. Until now, accurate quantitative lidar data analysis has been limited to very thin objects that are dominated by single scattering, where photons from the laser beam only scatter a single time with particles in the atmosphere before reaching the receiver, and simple linear relationship between physical property and lidar signal exists. In reality, multiple scattering is always a factor in space-based lidar measurement and it dominates space- based lidar returns from clouds, dust aerosols, vegetation canopy and phytoplankton. While multiple scattering are clear signals, the lack of a fast-enough lidar multiple scattering computation tool forces us to treat the signal as unwanted "noise" and use simple multiple scattering correction scheme to remove them. Such multiple scattering treatments waste the multiple scattering signals and may cause orders of magnitude errors in retrieved physical properties. Thus the lack of fast and accurate time-dependent radiative transfer tools significantly limits lidar remote sensing capabilities. Analyzing lidar multiple scattering signals requires fast and accurate time-dependent radiative transfer computations. Currently, multiple scattering is done with Monte Carlo simulations. Monte Carlo simulations take minutes to hours and are too slow for interactive satellite data analysis processes and can only be used to help system / algorithm design and error assessment. We present an innovative physics approach to solve the time-dependent radiative transfer problem. The technique utilizes FPGA based reconfigurable computing hardware. The approach is as following, 1. Physics solution: Perform Laplace transform on the time and spatial dimensions and Fourier transform on the viewing azimuth dimension, and convert the radiative transfer differential equation solving into a fast matrix inversion problem. The majority of the radiative transfer computation goes to matrix inversion processes, FFT and inverse Laplace transforms. 2. Hardware solutions: Perform the well-defined matrix inversion, FFT and Laplace transforms on highly parallel, reconfigurable computing hardware. This physics-based computational tool leads to accurate quantitative analysis of space-based lidar signals and improves data quality of current lidar mission such as CALIPSO. This presentation will introduce the basic idea of this approach, preliminary results based on SRC's FPGA-based Mapstation, and how we may apply it to CALIPSO data analysis.

Heat transfer prediction in a square porous medium using artificial neural network

NASA Astrophysics Data System (ADS)

Ahamad, N. Ameer; Athani, Abdulgaphur; Badruddin, Irfan Anjum

2018-05-01

Heat transfer in porous media has been investigated extensively because of its applications in various important fields. Neural network approach is applied to analyze steady two dimensional free convection flows through a porous medium fixed in a square cavity. The backpropagation neural network is trained and used to predict the heat transfer. The results are compared with available information in the literature. It is found that the heat transfer increases with increase in Rayleigh number. It is further found that the local Nusselt number decreases along the height of cavity. The neural network is found to predict the heat transfer behavior accurately for given parameters.

Mnemonic anosognosia in Alzheimer's disease is caused by a failure to transfer online evaluations of performance: Evidence from memory training programs.

PubMed

Silva, Ana Rita; Pinho, Maria Salomé; Macedo, Luís; Souchay, Céline; Moulin, Christopher

2017-06-01

There is a debate about the ability of patients with Alzheimer's disease to build an up-to-date representation of their memory function, which has been termed mnemonic anosognosia. This form of anosognosia is typified by accurate online evaluations of performance, but dysfunctional or outmoded representations of function more generally. We tested whether people with Alzheimer's disease could adapt or change their representations of memory performance across three different six-week memory training programs using global judgements of learning. We showed that whereas online assessments of performance were accurate, patients continued to make inaccurate overestimations of their memory performance. This was despite the fact that the magnitude of predictions shifted according to the memory training. That is, on some level patients showed an ability to change and retain a representation of performance over time, but it was a dysfunctional one. For the first time in the literature we were able to use an analysis using correlations to support this claim, based on a large heterogeneous sample of 51 patients with Alzheimer's disease. The results point not to a failure to retain online metamemory information, but rather that this information is never used or incorporated into longer term representations, supporting but refining the mnemonic anosognosia hypothesis.

Secondary Plastids of Euglenids and Chlorarachniophytes Function with a Mix of Genes of Red and Green Algal Ancestry.

PubMed

Ponce-Toledo, Rafael I; Moreira, David; López-García, Purificación; Deschamps, Philippe

2018-06-19

Endosymbiosis has been common all along eukaryotic evolution, providing opportunities for genomic and organellar innovation. Plastids are a prominent example. After the primary endosymbiosis of the cyanobacterial plastid ancestor, photosynthesis spread in many eukaryotic lineages via secondary endosymbioses involving red or green algal endosymbionts and diverse heterotrophic hosts. However, the number of secondary endosymbioses and how they occurred remain poorly understood. In particular, contrasting patterns of endosymbiotic gene transfer (EGT) have been detected and subjected to various interpretations. In this context, accurate detection of EGTs is essential to avoid wrong evolutionary conclusions. We have assembled a strictly selected set of markers that provides robust phylogenomic evidence suggesting that nuclear genes involved in the function and maintenance of green secondary plastids in chlorarachniophytes and euglenids have unexpected mixed red and green algal origins. This mixed ancestry contrasts with the clear red algal origin of most nuclear genes carrying similar functions in secondary algae with red plastids.

Testate amoeba transfer function performance along localised hydrological gradients.

PubMed

Tsyganov, Andrey N; Mityaeva, Olga A; Mazei, Yuri A; Payne, Richard J

2016-09-01

Testate amoeba transfer functions are widely used for reconstruction of palaeo-hydrological regime in peatlands. However, the limitations of this approach have become apparent with increasing attention to validation and assessing sources of uncertainty. This paper investigates effects of peatland type and sampling depth on the performance of a transfer function using an independent test-set from four Sphagnum-dominated sites in European Russia (Penza Region). We focus on transfer function performance along localised hydrological gradients, which is a useful analogue for predictive ability through time. The performance of the transfer function with the independent test-set was generally weaker than for the leave-one-out or bootstrap cross-validations. However, the transfer function was robust for the reconstruction of relative changes in water-table depth, provided the presence of good modern analogues and overlap in water-table depth ranges. When applied to subsurface samples, the performance of the transfer function was reduced due to selective decomposition, the presence of deep-dwelling taxa or vertical transfer of shells. Our results stress the importance of thorough testing of transfer functions, and highlight the role of taphonomic processes in determining results. Further studies of stratification, taxonomy and taphonomy of testate amoebae will be needed to improve the robustness of transfer function output. Copyright © 2015 Elsevier GmbH. All rights reserved.

An extended 3D discrete-continuous model and its application on single- and bi-crystal micropillars

NASA Astrophysics Data System (ADS)

Huang, Minsheng; Liang, Shuang; Li, Zhenhuan

2017-04-01

A 3D discrete-continuous model (3D DCM), which couples the 3D discrete dislocation dynamics (3D DDD) and finite element method (FEM), is extended in this study. New schemes for two key information transfers between DDD and FEM, i.e. plastic-strain distribution from DDD to FEM and stress transfer from FEM to DDD, are suggested. The plastic strain induced by moving dislocation segments is distributed to an elementary spheroid (ellipsoid or sphere) via a specific new distribution function. The influence of various interfaces (such as free surfaces and grain boundaries (GBs)) on the plastic-strain distribution is specially considered. By these treatments, the deformation fields can be solved accurately even for dislocations on slip planes severely inclined to the FE mesh, with no spurious stress concentration points produced. In addition, a stress correction by singular and non-singular theoretical solutions within a cut-off sphere is introduced to calculate the stress on the dislocations accurately. By these schemes, the present DCM becomes less sensitive to the FE mesh and more numerically efficient, which can also consider the interaction between neighboring dislocations appropriately even though they reside in the same FE mesh. Furthermore, the present DCM has been employed to model the compression of single-crystal and bi-crystal micropillars with rigid and dislocation-absorbed GBs. The influence of internal GB on the jerky stress-strain response and deformation mode is studied in detail to shed more light on these important micro-plastic problems.

Transfer function characteristics of super resolving systems

NASA Technical Reports Server (NTRS)

Milster, Tom D.; Curtis, Craig H.

1992-01-01

Signal quality in an optical storage device greatly depends on the optical system transfer function used to write and read data patterns. The problem is similar to analysis of scanning optical microscopes. Hopkins and Braat have analyzed write-once-read-many (WORM) optical data storage devices. Herein, transfer function analysis of magnetooptic (MO) data storage devices is discussed with respect to improving transfer-function characteristics. Several authors have described improving the transfer function as super resolution. However, none have thoroughly analyzed the MO optical system and effects of the medium. Both the optical system transfer function and effects of the medium of this development are discussed.

Numerical calculation of listener-specific head-related transfer functions and sound localization: Microphone model and mesh discretization

PubMed Central

Ziegelwanger, Harald; Majdak, Piotr; Kreuzer, Wolfgang

2015-01-01

Head-related transfer functions (HRTFs) can be numerically calculated by applying the boundary element method on the geometry of a listener’s head and pinnae. The calculation results are defined by geometrical, numerical, and acoustical parameters like the microphone used in acoustic measurements. The scope of this study was to estimate requirements on the size and position of the microphone model and on the discretization of the boundary geometry as triangular polygon mesh for accurate sound localization. The evaluation involved the analysis of localization errors predicted by a sagittal-plane localization model, the comparison of equivalent head radii estimated by a time-of-arrival model, and the analysis of actual localization errors obtained in a sound-localization experiment. While the average edge length (AEL) of the mesh had a negligible effect on localization performance in the lateral dimension, the localization performance in sagittal planes, however, degraded for larger AELs with the geometrical error as dominant factor. A microphone position at an arbitrary position at the entrance of the ear canal, a microphone size of 1 mm radius, and a mesh with 1 mm AEL yielded a localization performance similar to or better than observed with acoustically measured HRTFs. PMID:26233020

A framework for geometry acquisition, 3-D printing, simulation, and measurement of head-related transfer functions with a focus on hearing-assistive devices

PubMed Central

Harder, Stine; Paulsen, Rasmus R.; Larsen, Martin; Laugesen, Søren; Mihocic, Michael; Majdak, Piotr

2017-01-01

Individual head-related transfer functions (HRTFs) are essential in applications like fitting hearing-assistive devices (HADs) for providing accurate sound localization performance. Individual HRTFs are usually obtained through intricate acoustic measurements. This paper investigates the use of a three-dimensional (3D) head model for acquisition of individual HRTFs. Two aspects were investigated; whether a 3D-printed model can replace measurements on a human listener and whether numerical simulations can replace acoustic measurements. For this purpose, HRTFs were acoustically measured for four human listeners and for a 3D printed head model of one of these listeners. Further, HRTFs were simulated by applying the finite element method to the 3D head model. The monaural spectral features and spectral distortions were very similar between re-measurements and between human and printed measurements, however larger deviations were observed between measurement and simulation. The binaural cues were in agreement among all HRTFs of the same listener, indicating that the 3D model is able to provide localization cues potentially accessible to HAD users. Hence, the pipeline of geometry acquisition, printing, and acoustic measurements or simulations, seems to be a promising step forward towards in-silico design of HADs. PMID:28239188

Category inference as a function of correlational structure, category discriminability, and number of available cues.

PubMed

Lancaster, Matthew E; Shelhamer, Ryan; Homa, Donald

2013-04-01

Two experiments investigated category inference when categories were composed of correlated or uncorrelated dimensions and the categories overlapped minimally or moderately. When the categories minimally overlapped, the dimensions were strongly correlated with the category label. Following a classification learning phase, subsequent transfer required the selection of either a category label or a feature when one, two, or three features were missing. Experiments 1 and 2 differed primarily in the number of learning blocks prior to transfer. In each experiment, the inference of the category label or category feature was influenced by both dimensional and category correlations, as well as their interaction. The number of cues available at test impacted performance more when the dimensional correlations were zero and category overlap was high. However, a minimal number of cues were sufficient to produce high levels of inference when the dimensions were highly correlated; additional cues had a positive but reduced impact, even when overlap was high. Subjects were generally more accurate in inferring the category label than a category feature regardless of dimensional correlation, category overlap, or number of cues available at test. Whether the category label functioned as a special feature or not was critically dependent upon these embedded correlations, with feature inference driven more strongly by dimensional correlations.

Evolution of ferroelectricity in tetrathiafulvalene-p-chloranil as a function of pressure and temperature

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

Dengl, Armin; Beyer, Rebecca; Peterseim, Tobias

2014-06-28

The neutral-to-ionic phase transition in the mixed-stack charge-transfer complex tetrathiafulvalene-p-chloranil (TTF-CA) has been studied by pressure-dependent infrared spectroscopy up to p = 11 kbar and down to low temperatures, T = 10 K. By tracking the C=O antisymmetric stretching mode of CA molecules, we accurately determine the ionicity of TTF-CA in the pressure-temperature phase diagram. At any point, the TTF-CA crystal bears only a single ionicity; there is no coexistence region or an exotic high-pressure phase. Our findings shed new light on the role of electron-phonon interaction in the neutral-ionic transition.

Theory of Fiber Optical Bragg Grating: Revisited

NASA Technical Reports Server (NTRS)

Tai, H.

2003-01-01

The reflected signature of an optical fiber Bragg grating is analyzed using the transfer function method. This approach is capable to cast all relevant quantities into proper places and provides a better physical understanding. The relationship between reflected signal, number of periods, index of refraction, and reflected wave phase is elucidated. The condition for which the maximum reflectivity is achieved is fully examined. We also have derived an expression to predict the reflectivity minima accurately when the reflected wave is detuned. Furthermore, using the segmented potential approach, this model can handle arbitrary index of refraction profiles and compare the strength of optical reflectivity of different profiles. The condition of a non-uniform grating is also addressed.

Function Transfer in Human Operant Experiments: The Role of Stimulus Pairings

ERIC Educational Resources Information Center

Tonneau, Francois; Gonzalez, Carmen

2004-01-01

Although function transfer often has been studied in complex operant procedures (such as matching to sample), whether operant reinforcement actually produces function transfer in such settings has not been established. The present experiments, with high school students as subjects, suggest that stimulus pairings can promote function transfer in…

SU-E-J-109: Accurate Contour Transfer Between Different Image Modalities Using a Hybrid Deformable Image Registration and Fuzzy Connected Image Segmentation Method.

PubMed

Yang, C; Paulson, E; Li, X

2012-06-01

To develop and evaluate a tool that can improve the accuracy of contour transfer between different image modalities under challenging conditions of low image contrast and large image deformation, comparing to a few commonly used methods, for radiation treatment planning. The software tool includes the following steps and functionalities: (1) accepting input of images of different modalities, (2) converting existing contours on reference images (e.g., MRI) into delineated volumes and adjusting the intensity within the volumes to match target images (e.g., CT) intensity distribution for enhanced similarity metric, (3) registering reference and target images using appropriate deformable registration algorithms (e.g., B-spline, demons) and generate deformed contours, (4) mapping the deformed volumes on target images, calculating mean, variance, and center of mass as the initialization parameters for consecutive fuzzy connectedness (FC) image segmentation on target images, (5) generate affinity map from FC segmentation, (6) achieving final contours by modifying the deformed contours using the affinity map with a gradient distance weighting algorithm. The tool was tested with the CT and MR images of four pancreatic cancer patients acquired at the same respiration phase to minimize motion distortion. Dice's Coefficient was calculated against direct delineation on target image. Contours generated by various methods, including rigid transfer, auto-segmentation, deformable only transfer and proposed method, were compared. Fuzzy connected image segmentation needs careful parameter initialization and user involvement. Automatic contour transfer by multi-modality deformable registration leads up to 10% of accuracy improvement over the rigid transfer. Two extra proposed steps of adjusting intensity distribution and modifying the deformed contour with affinity map improve the transfer accuracy further to 14% averagely. Deformable image registration aided by contrast adjustment and fuzzy connectedness segmentation improves the contour transfer accuracy between multi-modality images, particularly with large deformation and low image contrast. © 2012 American Association of Physicists in Medicine.

The effect of reduced gravity on cryogenic nitrogen boiling and pipe chilldown.

PubMed

Darr, Samuel; Dong, Jun; Glikin, Neil; Hartwig, Jason; Majumdar, Alok; Leclair, Andre; Chung, Jacob

2016-01-01

Manned deep space exploration will require cryogenic in-space propulsion. Yet, accurate prediction of cryogenic pipe flow boiling heat transfer is lacking, due to the absence of a cohesive reduced gravity data set covering the expected flow and thermodynamic parameter ranges needed to validate cryogenic two-phase heat transfer models. This work provides a wide range of cryogenic chilldown data aboard an aircraft flying parabolic trajectories to simulate reduced gravity. Liquid nitrogen is used to quench a 1.27 cm diameter tube from room temperature. The pressure, temperature, flow rate, and inlet conditions are reported from 10 tests covering liquid Reynolds number from 2,000 to 80,000 and pressures from 80 to 810 kPa. Corresponding terrestrial gravity tests were performed in upward, downward, and horizontal flow configurations to identify gravity and flow direction effects on chilldown. Film boiling heat transfer was lessened by up to 25% in reduced gravity, resulting in longer time and more liquid to quench the pipe to liquid temperatures. Heat transfer was enhanced by increasing the flow rate, and differences between reduced and terrestrial gravity diminished at high flow rates. The new data set will enable the development of accurate and robust heat transfer models of cryogenic pipe chilldown in reduced gravity.

Effects of packaging and heat transfer kinetics on drug-product stability during storage under uncontrolled temperature conditions.

PubMed

Nakamura, Toru; Yamaji, Takayuki; Takayama, Kozo

2013-05-01

To predict the stability of pharmaceutical preparations under uncontrolled temperature conditions accurately, a method to compute the average reaction rate constant taking into account the heat transfer from the atmosphere to the product was developed. The average reaction rate constants computed with taken into consideration heat transfer (κ(re) ) were then compared with those computed without taking heat transfer into consideration (κ(in) ). The apparent thermal diffusivity (κ(a) ) exerted some influence on the average reaction rate constant ratio (R, R = κ(re) /κ(in) ). In the regions where the κ(a) was large (above 1 h(-1) ) or very small, the value of R was close to 1. On the contrary, in the middle region (0.001-1 h(-1) ), the value of R was less than 1.The κ(a) of the central part of a large-size container and that of the central part of a paper case of 10 bottles of liquid medicine (100 mL) fell within this middle region. On the basis of the above-mentioned considerations, heat transfer may need to be taken into consideration to enable a more accurate prediction of the stability of actual pharmaceutical preparations under nonisothermal atmospheres. Copyright © 2013 Wiley Periodicals, Inc.

Radiation Heat Transfer Between Diffuse-Gray Surfaces Using Higher Order Finite Elements

NASA Technical Reports Server (NTRS)

Gould, Dana C.

2000-01-01

This paper presents recent work on developing methods for analyzing radiation heat transfer between diffuse-gray surfaces using p-version finite elements. The work was motivated by a thermal analysis of a High Speed Civil Transport (HSCT) wing structure which showed the importance of radiation heat transfer throughout the structure. The analysis also showed that refining the finite element mesh to accurately capture the temperature distribution on the internal structure led to very large meshes with unacceptably long execution times. Traditional methods for calculating surface-to-surface radiation are based on assumptions that are not appropriate for p-version finite elements. Two methods for determining internal radiation heat transfer are developed for one and two-dimensional p-version finite elements. In the first method, higher-order elements are divided into a number of sub-elements. Traditional methods are used to determine radiation heat flux along each sub-element and then mapped back to the parent element. In the second method, the radiation heat transfer equations are numerically integrated over the higher-order element. Comparisons with analytical solutions show that the integration scheme is generally more accurate than the sub-element method. Comparison to results from traditional finite elements shows that significant reduction in the number of elements in the mesh is possible using higher-order (p-version) finite elements.

The effect of reduced gravity on cryogenic nitrogen boiling and pipe chilldown

PubMed Central

Darr, Samuel; Dong, Jun; Glikin, Neil; Hartwig, Jason; Majumdar, Alok; Leclair, Andre; Chung, Jacob

2016-01-01

Manned deep space exploration will require cryogenic in-space propulsion. Yet, accurate prediction of cryogenic pipe flow boiling heat transfer is lacking, due to the absence of a cohesive reduced gravity data set covering the expected flow and thermodynamic parameter ranges needed to validate cryogenic two-phase heat transfer models. This work provides a wide range of cryogenic chilldown data aboard an aircraft flying parabolic trajectories to simulate reduced gravity. Liquid nitrogen is used to quench a 1.27 cm diameter tube from room temperature. The pressure, temperature, flow rate, and inlet conditions are reported from 10 tests covering liquid Reynolds number from 2,000 to 80,000 and pressures from 80 to 810 kPa. Corresponding terrestrial gravity tests were performed in upward, downward, and horizontal flow configurations to identify gravity and flow direction effects on chilldown. Film boiling heat transfer was lessened by up to 25% in reduced gravity, resulting in longer time and more liquid to quench the pipe to liquid temperatures. Heat transfer was enhanced by increasing the flow rate, and differences between reduced and terrestrial gravity diminished at high flow rates. The new data set will enable the development of accurate and robust heat transfer models of cryogenic pipe chilldown in reduced gravity. PMID:28725740

Numerical Investigation of Radiative Heat Transfer in Laser Induced Air Plasmas

NASA Technical Reports Server (NTRS)

Liu, J.; Chen, Y. S.; Wang, T. S.; Turner, James E. (Technical Monitor)

2001-01-01

Radiative heat transfer is one of the most important phenomena in the laser induced plasmas. This study is intended to develop accurate and efficient methods for predicting laser radiation absorption and plasma radiative heat transfer, and investigate the plasma radiation effects in laser propelled vehicles. To model laser radiation absorption, a ray tracing method along with the Beer's law is adopted. To solve the radiative transfer equation in the air plasmas, the discrete transfer method (DTM) is selected and explained. The air plasma radiative properties are predicted by the LORAN code. To validate the present nonequilibrium radiation model, several benchmark problems are examined and the present results are found to match the available solutions. To investigate the effects of plasma radiation in laser propelled vehicles, the present radiation code is coupled into a plasma aerodynamics code and a selected problem is considered. Comparisons of results at different cases show that plasma radiation plays a role of cooling plasma and it lowers the plasma temperature by about 10%. This change in temperature also results in a reduction of the coupling coefficient by about 10-20%. The present study indicates that plasma radiation modeling is very important for accurate modeling of aerodynamics in a laser propelled vehicle.

Non-destructive testing of ceramic materials using mid-infrared ultrashort-pulse laser

NASA Astrophysics Data System (ADS)

Sun, S. C.; Qi, Hong; An, X. Y.; Ren, Y. T.; Qiao, Y. B.; Ruan, Liming M.

2018-04-01

The non-destructive testing (NDT) of ceramic materials using mid-infrared ultrashort-pulse laser is investigated in this study. The discrete ordinate method is applied to solve the transient radiative transfer equation in 2D semitransparent medium and the emerging radiative intensity on boundary serves as input for the inverse analysis. The sequential quadratic programming algorithm is employed as the inverse technique to optimize objective function, in which the gradient of objective function with respect to reconstruction parameters is calculated using the adjoint model. Two reticulated porous ceramics including partially stabilized zirconia and oxide-bonded silicon carbide are tested. The retrieval results show that the main characteristics of defects such as optical properties, geometric shapes and positions can be accurately reconstructed by the present model. The proposed technique is effective and robust in NDT of ceramics even with measurement errors.

Human life support during interplanetary travel and domicile. II - Generic Modular Flow Schematic modeling

NASA Technical Reports Server (NTRS)

Farral, Joseph F.; Seshan, P. K.; Rohatgi, Naresh K.

1991-01-01

This paper describes the Generic Modular Flow Schematic (GMFS) architecture capable of encompassing all functional elements of a physical/chemical life support system (LSS). The GMFS can be implemented to synthesize, model, analyze, and quantitatively compare many configurations of LSSs, from a simple, completely open-loop to a very complex closed-loop. The GMFS model is coded in ASPEN, a state-of-the-art chemical process simulation program, to accurately compute the material, heat, and power flow quantities for every stream in each of the subsystem functional elements (SFEs) in the chosen configuration of a life support system. The GMFS approach integrates the various SFEs and subsystems in a hierarchical and modular fashion facilitating rapid substitutions and reconfiguration of a life support system. The comprehensive ASPEN material and energy balance output is transferred to a systems and technology assessment spreadsheet for rigorous system analysis and trade studies.

A summary of computational experience at GE Aircraft Engines for complex turbulent flows in gas turbines

NASA Astrophysics Data System (ADS)

Zerkle, Ronald D.; Prakash, Chander

1995-03-01

This viewgraph presentation summarizes some CFD experience at GE Aircraft Engines for flows in the primary gaspath of a gas turbine engine and in turbine blade cooling passages. It is concluded that application of the standard k-epsilon turbulence model with wall functions is not adequate for accurate CFD simulation of aerodynamic performance and heat transfer in the primary gas path of a gas turbine engine. New models are required in the near-wall region which include more physics than wall functions. The two-layer modeling approach appears attractive because of its computational complexity. In addition, improved CFD simulation of film cooling and turbine blade internal cooling passages will require anisotropic turbulence models. New turbulence models must be practical in order to have a significant impact on the engine design process. A coordinated turbulence modeling effort between NASA centers would be beneficial to the gas turbine industry.

A summary of computational experience at GE Aircraft Engines for complex turbulent flows in gas turbines

NASA Technical Reports Server (NTRS)

Zerkle, Ronald D.; Prakash, Chander

1995-01-01

This viewgraph presentation summarizes some CFD experience at GE Aircraft Engines for flows in the primary gaspath of a gas turbine engine and in turbine blade cooling passages. It is concluded that application of the standard k-epsilon turbulence model with wall functions is not adequate for accurate CFD simulation of aerodynamic performance and heat transfer in the primary gas path of a gas turbine engine. New models are required in the near-wall region which include more physics than wall functions. The two-layer modeling approach appears attractive because of its computational complexity. In addition, improved CFD simulation of film cooling and turbine blade internal cooling passages will require anisotropic turbulence models. New turbulence models must be practical in order to have a significant impact on the engine design process. A coordinated turbulence modeling effort between NASA centers would be beneficial to the gas turbine industry.

Numerical Optimization of Density Functional Tight Binding Models: Application to Molecules Containing Carbon, Hydrogen, Nitrogen, and Oxygen

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

Krishnapriyan, A.; Yang, P.; Niklasson, A. M. N.

New parametrizations for semiempirical density functional tight binding (DFTB) theory have been developed by the numerical optimization of adjustable parameters to minimize errors in the atomization energy and interatomic forces with respect to ab initio calculated data. Initial guesses for the radial dependences of the Slater- Koster bond integrals and overlap integrals were obtained from minimum basis density functional theory calculations. The radial dependences of the pair potentials and the bond and overlap integrals were represented by simple analytic functions. The adjustable parameters in these functions were optimized by simulated annealing and steepest descent algorithms to minimize the value ofmore » an objective function that quantifies the error between the DFTB model and ab initio calculated data. The accuracy and transferability of the resulting DFTB models for the C, H, N, and O system were assessed by comparing the predicted atomization energies and equilibrium molecular geometries of small molecules that were not included in the training data from DFTB to ab initio data. The DFTB models provide accurate predictions of the properties of hydrocarbons and more complex molecules containing C, H, N, and O.« less

Numerical Optimization of Density Functional Tight Binding Models: Application to Molecules Containing Carbon, Hydrogen, Nitrogen, and Oxygen

DOE PAGES

Krishnapriyan, A.; Yang, P.; Niklasson, A. M. N.; ...

2017-10-17

New parametrizations for semiempirical density functional tight binding (DFTB) theory have been developed by the numerical optimization of adjustable parameters to minimize errors in the atomization energy and interatomic forces with respect to ab initio calculated data. Initial guesses for the radial dependences of the Slater- Koster bond integrals and overlap integrals were obtained from minimum basis density functional theory calculations. The radial dependences of the pair potentials and the bond and overlap integrals were represented by simple analytic functions. The adjustable parameters in these functions were optimized by simulated annealing and steepest descent algorithms to minimize the value ofmore » an objective function that quantifies the error between the DFTB model and ab initio calculated data. The accuracy and transferability of the resulting DFTB models for the C, H, N, and O system were assessed by comparing the predicted atomization energies and equilibrium molecular geometries of small molecules that were not included in the training data from DFTB to ab initio data. The DFTB models provide accurate predictions of the properties of hydrocarbons and more complex molecules containing C, H, N, and O.« less

A Broad G Protein-Coupled Receptor Internalization Assay that Combines SNAP-Tag Labeling, Diffusion-Enhanced Resonance Energy Transfer, and a Highly Emissive Terbium Cryptate.

PubMed

Levoye, Angélique; Zwier, Jurriaan M; Jaracz-Ros, Agnieszka; Klipfel, Laurence; Cottet, Martin; Maurel, Damien; Bdioui, Sara; Balabanian, Karl; Prézeau, Laurent; Trinquet, Eric; Durroux, Thierry; Bachelerie, Françoise

2015-01-01

Although G protein-coupled receptor (GPCR) internalization has long been considered as a major aspect of the desensitization process that tunes ligand responsiveness, internalization is also involved in receptor resensitization and signaling, as well as the ligand scavenging function of some atypical receptors. Internalization thus contributes to the diversity of GPCR-dependent signaling, and its dynamics and quantification in living cells has generated considerable interest. We developed a robust and sensitive assay to follow and quantify ligand-induced and constitutive-induced GPCR internalization but also receptor recycling in living cells. This assay is based on diffusion-enhanced resonance energy transfer (DERET) between cell surface GPCRs labeled with a luminescent terbium cryptate donor and a fluorescein acceptor present in the culture medium. GPCR internalization results in a quantifiable reduction of energy transfer. This method yields a high signal-to-noise ratio due to time-resolved measurements. For various GPCRs belonging to different classes, we demonstrated that constitutive and ligand-induced internalization could be monitored as a function of time and ligand concentration, thus allowing accurate quantitative determination of kinetics of receptor internalization but also half-maximal effective or inhibitory concentrations of compounds. In addition to its selectivity and sensitivity, we provided evidence that DERET-based internalization assay is particularly suitable for characterizing biased ligands. Furthermore, the determination of a Z'-factor value of 0.45 indicates the quality and suitability of DERET-based internalization assay for high-throughput screening (HTS) of compounds that may modulate GPCRs internalization.

A Broad G Protein-Coupled Receptor Internalization Assay that Combines SNAP-Tag Labeling, Diffusion-Enhanced Resonance Energy Transfer, and a Highly Emissive Terbium Cryptate

PubMed Central

Levoye, Angélique; Zwier, Jurriaan M.; Jaracz-Ros, Agnieszka; Klipfel, Laurence; Cottet, Martin; Maurel, Damien; Bdioui, Sara; Balabanian, Karl; Prézeau, Laurent; Trinquet, Eric; Durroux, Thierry; Bachelerie, Françoise

2015-01-01

Although G protein-coupled receptor (GPCR) internalization has long been considered as a major aspect of the desensitization process that tunes ligand responsiveness, internalization is also involved in receptor resensitization and signaling, as well as the ligand scavenging function of some atypical receptors. Internalization thus contributes to the diversity of GPCR-dependent signaling, and its dynamics and quantification in living cells has generated considerable interest. We developed a robust and sensitive assay to follow and quantify ligand-induced and constitutive-induced GPCR internalization but also receptor recycling in living cells. This assay is based on diffusion-enhanced resonance energy transfer (DERET) between cell surface GPCRs labeled with a luminescent terbium cryptate donor and a fluorescein acceptor present in the culture medium. GPCR internalization results in a quantifiable reduction of energy transfer. This method yields a high signal-to-noise ratio due to time-resolved measurements. For various GPCRs belonging to different classes, we demonstrated that constitutive and ligand-induced internalization could be monitored as a function of time and ligand concentration, thus allowing accurate quantitative determination of kinetics of receptor internalization but also half-maximal effective or inhibitory concentrations of compounds. In addition to its selectivity and sensitivity, we provided evidence that DERET-based internalization assay is particularly suitable for characterizing biased ligands. Furthermore, the determination of a Z′-factor value of 0.45 indicates the quality and suitability of DERET-based internalization assay for high-throughput screening (HTS) of compounds that may modulate GPCRs internalization. PMID:26617570

Passive West Nile virus antibody transfer from maternal Eastern Screech-Owls (Megascops asio) to progeny

USGS Publications Warehouse

Hahn, D.C.; Nemeth, N.M.; Edwards, E.; Bright, P.R.; Komar, N.

2006-01-01

Transovarial antibody transfer in owls has not been demonstrated for West Nile virus (WNV). We sampled chicks from captive adult WNV-antibody-positive Eastern Screech-Owls (Megascops asio) to evaluate the prevalence of transovarial maternal antibody transfer, as well as titers and duration of maternal antibodies. Twenty-four owlets aged 1 to 27 days old circulated detectable antibodies with neutralizing antibody titers ranging from 20 to 1600 (median 1:40). Demonstrating that WNV antibodies are passively transferred transovarially is important for accurate interpretation of serologic data from young birds.

Dynamic response and transfer function of social systems: A neuro-inspired model of collective human activity patterns.

PubMed

Lymperopoulos, Ilias N

2017-10-01

The interaction of social networks with the external environment gives rise to non-stationary activity patterns reflecting the temporal structure and strength of exogenous influences that drive social dynamical processes far from an equilibrium state. Following a neuro-inspired approach, based on the dynamics of a passive neuronal membrane, and the firing rate dynamics of single neurons and neuronal populations, we build a state-of-the-art model of the collective social response to exogenous interventions. In this regard, we analyze online activity patterns with a view to determining the transfer function of social systems, that is, the dynamic relationship between external influences and the resulting activity. To this end, first we estimate the impulse response (Green's function) of collective activity, and then we show that the convolution of the impulse response with a time-varying external influence field accurately reproduces empirical activity patterns. To capture the dynamics of collective activity when the generating process is in a state of statistical equilibrium, we incorporate into the model a noisy input convolved with the impulse response function, thus precisely reproducing the fluctuations of stationary collective activity around a resting value. The outstanding goodness-of-fit of the model results to empirical observations, indicates that the model explains human activity patterns generated by time-dependent external influences in various socio-economic contexts. The proposed model can be used for inferring the temporal structure and strength of external influences, as well as the inertia of collective social activity. Furthermore, it can potentially predict social activity patterns. Copyright © 2017 Elsevier Ltd. All rights reserved.

Functionally-interdependent shape-switching nanoparticles with controllable properties

PubMed Central

Halman, Justin R.; Satterwhite, Emily; Roark, Brandon; Chandler, Morgan; Viard, Mathias; Ivanina, Anna; Bindewald, Eckart; Kasprzak, Wojciech K.; Panigaj, Martin; Bui, My N.; Lu, Jacob S.; Miller, Johann; Khisamutdinov, Emil F.; Shapiro, Bruce A.; Dobrovolskaia, Marina A.

2017-01-01

Abstract We introduce a new concept that utilizes cognate nucleic acid nanoparticles which are fully complementary and functionally-interdependent to each other. In the described approach, the physical interaction between sets of designed nanoparticles initiates a rapid isothermal shape change which triggers the activation of multiple functionalities and biological pathways including transcription, energy transfer, functional aptamers and RNA interference. The individual nanoparticles are not active and have controllable kinetics of re-association and fine-tunable chemical and thermodynamic stabilities. Computational algorithms were developed to accurately predict melting temperatures of nanoparticles of various compositions and trace the process of their re-association in silico. Additionally, tunable immunostimulatory properties of described nanoparticles suggest that the particles that do not induce pro-inflammatory cytokines and high levels of interferons can be used as scaffolds to carry therapeutic oligonucleotides, while particles with strong interferon and mild pro-inflammatory cytokine induction may qualify as vaccine adjuvants. The presented concept provides a simple, cost-effective and straightforward model for the development of combinatorial regulation of biological processes in nucleic acid nanotechnology. PMID:28108656

A Functional-Genetic Scheme for Seizure Forecasting in Canine Epilepsy.

PubMed

Bou Assi, Elie; Nguyen, Dang K; Rihana, Sandy; Sawan, Mohamad

2018-06-01

The objective of this work is the development of an accurate seizure forecasting algorithm that considers brain's functional connectivity for electrode selection. We start by proposing Kmeans-directed transfer function, an adaptive functional connectivity method intended for seizure onset zone localization in bilateral intracranial EEG recordings. Electrodes identified as seizure activity sources and sinks are then used to implement a seizure-forecasting algorithm on long-term continuous recordings in dogs with naturally-occurring epilepsy. A precision-recall genetic algorithm is proposed for feature selection in line with a probabilistic support vector machine classifier. Epileptic activity generators were focal in all dogs confirming the diagnosis of focal epilepsy in these animals while sinks spanned both hemispheres in 2 of 3 dogs. Seizure forecasting results show performance improvement compared to previous studies, achieving average sensitivity of 84.82% and time in warning of 0.1. Achieved performances highlight the feasibility of seizure forecasting in canine epilepsy. The ability to improve seizure forecasting provides promise for the development of EEG-triggered closed-loop seizure intervention systems for ambulatory implantation in patients with refractory epilepsy.

The use of algorithmic behavioural transfer functions in parametric EO system performance models

NASA Astrophysics Data System (ADS)

Hickman, Duncan L.; Smith, Moira I.

2015-10-01

The use of mathematical models to predict the overall performance of an electro-optic (EO) system is well-established as a methodology and is used widely to support requirements definition, system design, and produce performance predictions. Traditionally these models have been based upon cascades of transfer functions based on established physical theory, such as the calculation of signal levels from radiometry equations, as well as the use of statistical models. However, the performance of an EO system is increasing being dominated by the on-board processing of the image data and this automated interpretation of image content is complex in nature and presents significant modelling challenges. Models and simulations of EO systems tend to either involve processing of image data as part of a performance simulation (image-flow) or else a series of mathematical functions that attempt to define the overall system characteristics (parametric). The former approach is generally more accurate but statistically and theoretically weak in terms of specific operational scenarios, and is also time consuming. The latter approach is generally faster but is unable to provide accurate predictions of a system's performance under operational conditions. An alternative and novel architecture is presented in this paper which combines the processing speed attributes of parametric models with the accuracy of image-flow representations in a statistically valid framework. An additional dimension needed to create an effective simulation is a robust software design whose architecture reflects the structure of the EO System and its interfaces. As such, the design of the simulator can be viewed as a software prototype of a new EO System or an abstraction of an existing design. This new approach has been used successfully to model a number of complex military systems and has been shown to combine improved performance estimation with speed of computation. Within the paper details of the approach and architecture are described in detail, and example results based on a practical application are then given which illustrate the performance benefits. Finally, conclusions are drawn and comments given regarding the benefits and uses of the new approach.

Test-Anchored Vibration Response Predictions for an Acoustically Energized Curved Orthogrid Panel with Mounted Components

NASA Technical Reports Server (NTRS)

Frady, Gregory P.; Duvall, Lowery D.; Fulcher, Clay W. G.; Laverde, Bruce T.; Hunt, Ronald A.

2011-01-01

A rich body of vibroacoustic test data was recently generated at Marshall Space Flight Center for a curved orthogrid panel typical of launch vehicle skin structures. Several test article configurations were produced by adding component equipment of differing weights to the flight-like vehicle panel. The test data were used to anchor computational predictions of a variety of spatially distributed responses including acceleration, strain and component interface force. Transfer functions relating the responses to the input pressure field were generated from finite element based modal solutions and test-derived damping estimates. A diffuse acoustic field model was employed to describe the assumed correlation of phased input sound pressures across the energized panel. This application demonstrates the ability to quickly and accurately predict a variety of responses to acoustically energized skin panels with mounted components. Favorable comparisons between the measured and predicted responses were established. The validated models were used to examine vibration response sensitivities to relevant modeling parameters such as pressure patch density, mesh density, weight of the mounted component and model form. Convergence metrics include spectral densities and cumulative root-mean squared (RMS) functions for acceleration, velocity, displacement, strain and interface force. Minimum frequencies for response convergence were established as well as recommendations for modeling techniques, particularly in the early stages of a component design when accurate structural vibration requirements are needed relatively quickly. The results were compared with long-established guidelines for modeling accuracy of component-loaded panels. A theoretical basis for the Response/Pressure Transfer Function (RPTF) approach provides insight into trends observed in the response predictions and confirmed in the test data. The software modules developed for the RPTF method can be easily adapted for quick replacement of the diffuse acoustic field with other pressure field models; for example a turbulent boundary layer (TBL) model suitable for vehicle ascent. Wind tunnel tests have been proposed to anchor the predictions and provide new insight into modeling approaches for this type of environment. Finally, component vibration environments for design were developed from the measured and predicted responses and compared with those derived from traditional techniques such as Barrett scaling methods for unloaded and component-loaded panels.

Test-Anchored Vibration Response Predictions for an Acoustically Energized Curved Orthogrid Panel with Mounted Components

NASA Technical Reports Server (NTRS)

Frady, Gregory P.; Duvall, Lowery D.; Fulcher, Clay W. G.; Laverde, Bruce T.; Hunt, Ronald A.

2011-01-01

rich body of vibroacoustic test data was recently generated at Marshall Space Flight Center for component-loaded curved orthogrid panels typical of launch vehicle skin structures. The test data were used to anchor computational predictions of a variety of spatially distributed responses including acceleration, strain and component interface force. Transfer functions relating the responses to the input pressure field were generated from finite element based modal solutions and test-derived damping estimates. A diffuse acoustic field model was applied to correlate the measured input sound pressures across the energized panel. This application quantifies the ability to quickly and accurately predict a variety of responses to acoustically energized skin panels with mounted components. Favorable comparisons between the measured and predicted responses were established. The validated models were used to examine vibration response sensitivities to relevant modeling parameters such as pressure patch density, mesh density, weight of the mounted component and model form. Convergence metrics include spectral densities and cumulative root-mean squared (RMS) functions for acceleration, velocity, displacement, strain and interface force. Minimum frequencies for response convergence were established as well as recommendations for modeling techniques, particularly in the early stages of a component design when accurate structural vibration requirements are needed relatively quickly. The results were compared with long-established guidelines for modeling accuracy of component-loaded panels. A theoretical basis for the Response/Pressure Transfer Function (RPTF) approach provides insight into trends observed in the response predictions and confirmed in the test data. The software developed for the RPTF method allows easy replacement of the diffuse acoustic field with other pressure fields such as a turbulent boundary layer (TBL) model suitable for vehicle ascent. Structural responses using a TBL model were demonstrated, and wind tunnel tests have been proposed to anchor the predictions and provide new insight into modeling approaches for this environment. Finally, design load factors were developed from the measured and predicted responses and compared with those derived from traditional techniques such as historical Mass Acceleration Curves and Barrett scaling methods for acreage and component-loaded panels.

Exploring applications of GPR methodology and uses in determining floodplain function of restored streams in the Gulf Coastal Plain, Alabama

NASA Astrophysics Data System (ADS)

Eckes, S. W.; Shepherd, S. L.

2017-12-01

Accurately characterizing subsurface structure and function of remediated floodplains is indispensable in understanding the success of stream restoration projects. Although many of these projects are designed to address increased storm water runoff due to urbanization, long term monitoring and assessment are often limited in scope and methodology. Common monitoring practices include geomorphic surveys, stream discharge, and suspended sediment loads. These data are comprehensive for stream monitoring but they do not address floodplain function in terms of infiltration and through flow. Developing noninvasive methods for monitoring floodplain moisture transfer and distribution will aid in current and future stream restoration endeavors. Ground penetrating radar (GPR) has been successfully used in other physiographic regions for noninvasive and continuous monitoring of (1) natural geomorphic environments including subsurface structure and landform change and (2) soil and turf management to monitor subsurface moisture content. We are testing the viability of these existing methods to expand upon the broad capabilities of GPR. Determining suitability will be done in three parts using GPR to (1) find known buried objects of typical materials used in remediation at measured depths, (2) understand GPR functionality in varying soil moisture content thresholds on turf plots, and (3) model reference, remediated, and impacted floodplains in a case study in the D'Olive Creek watershed located in Baldwin County, Alabama. We hypothesize that these methods will allow us to characterize moisture transfer from precipitation and runoff to the floodplain which is a direct function of floodplain health. The need for a methodology to monitor floodplains is widespread and with increased resolution and mobility, expanding GPR applications may help streamline remediation and monitoring practices.

Symbolic Regression for the Estimation of Transfer Functions of Hydrological Models

NASA Astrophysics Data System (ADS)

Klotz, D.; Herrnegger, M.; Schulz, K.

2017-11-01

Current concepts for parameter regionalization of spatially distributed rainfall-runoff models rely on the a priori definition of transfer functions that globally map land surface characteristics (such as soil texture, land use, and digital elevation) into the model parameter space. However, these transfer functions are often chosen ad hoc or derived from small-scale experiments. This study proposes and tests an approach for inferring the structure and parametrization of possible transfer functions from runoff data to potentially circumvent these difficulties. The concept uses context-free grammars to generate possible proposition for transfer functions. The resulting structure can then be parametrized with classical optimization techniques. Several virtual experiments are performed to examine the potential for an appropriate estimation of transfer function, all of them using a very simple conceptual rainfall-runoff model with data from the Austrian Mur catchment. The results suggest that a priori defined transfer functions are in general well identifiable by the method. However, the deduction process might be inhibited, e.g., by noise in the runoff observation data, often leading to transfer function estimates of lower structural complexity.

Nonparametric Transfer Function Models

PubMed Central

Liu, Jun M.; Chen, Rong; Yao, Qiwei

2009-01-01

In this paper a class of nonparametric transfer function models is proposed to model nonlinear relationships between ‘input’ and ‘output’ time series. The transfer function is smooth with unknown functional forms, and the noise is assumed to be a stationary autoregressive-moving average (ARMA) process. The nonparametric transfer function is estimated jointly with the ARMA parameters. By modeling the correlation in the noise, the transfer function can be estimated more efficiently. The parsimonious ARMA structure improves the estimation efficiency in finite samples. The asymptotic properties of the estimators are investigated. The finite-sample properties are illustrated through simulations and one empirical example. PMID:20628584

Large eddy simulation for predicting turbulent heat transfer in gas turbines.

PubMed

Tafti, Danesh K; He, Long; Nagendra, K

2014-08-13

Blade cooling technology will play a critical role in the next generation of propulsion and power generation gas turbines. Accurate prediction of blade metal temperature can avoid the use of excessive compressed bypass air and allow higher turbine inlet temperature, increasing fuel efficiency and decreasing emissions. Large eddy simulation (LES) has been established to predict heat transfer coefficients with good accuracy under various non-canonical flows, but is still limited to relatively simple geometries and low Reynolds numbers. It is envisioned that the projected increase in computational power combined with a drop in price-to-performance ratio will make system-level simulations using LES in complex blade geometries at engine conditions accessible to the design process in the coming one to two decades. In making this possible, two key challenges are addressed in this paper: working with complex intricate blade geometries and simulating high-Reynolds-number (Re) flows. It is proposed to use the immersed boundary method (IBM) combined with LES wall functions. A ribbed duct at Re=20 000 is simulated using the IBM, and a two-pass ribbed duct is simulated at Re=100 000 with and without rotation (rotation number Ro=0.2) using LES with wall functions. The results validate that the IBM is a viable alternative to body-conforming grids and that LES with wall functions reproduces experimental results at a much lower computational cost. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

A statistical approach for inferring the 3D structure of the genome.

PubMed

Varoquaux, Nelle; Ay, Ferhat; Noble, William Stafford; Vert, Jean-Philippe

2014-06-15

Recent technological advances allow the measurement, in a single Hi-C experiment, of the frequencies of physical contacts among pairs of genomic loci at a genome-wide scale. The next challenge is to infer, from the resulting DNA-DNA contact maps, accurate 3D models of how chromosomes fold and fit into the nucleus. Many existing inference methods rely on multidimensional scaling (MDS), in which the pairwise distances of the inferred model are optimized to resemble pairwise distances derived directly from the contact counts. These approaches, however, often optimize a heuristic objective function and require strong assumptions about the biophysics of DNA to transform interaction frequencies to spatial distance, and thereby may lead to incorrect structure reconstruction. We propose a novel approach to infer a consensus 3D structure of a genome from Hi-C data. The method incorporates a statistical model of the contact counts, assuming that the counts between two loci follow a Poisson distribution whose intensity decreases with the physical distances between the loci. The method can automatically adjust the transfer function relating the spatial distance to the Poisson intensity and infer a genome structure that best explains the observed data. We compare two variants of our Poisson method, with or without optimization of the transfer function, to four different MDS-based algorithms-two metric MDS methods using different stress functions, a non-metric version of MDS and ChromSDE, a recently described, advanced MDS method-on a wide range of simulated datasets. We demonstrate that the Poisson models reconstruct better structures than all MDS-based methods, particularly at low coverage and high resolution, and we highlight the importance of optimizing the transfer function. On publicly available Hi-C data from mouse embryonic stem cells, we show that the Poisson methods lead to more reproducible structures than MDS-based methods when we use data generated using different restriction enzymes, and when we reconstruct structures at different resolutions. A Python implementation of the proposed method is available at http://cbio.ensmp.fr/pastis. © The Author 2014. Published by Oxford University Press.

Simulation of solution phase electron transfer in a compact donor-acceptor dyad.

PubMed

Kowalczyk, Tim; Wang, Lee-Ping; Van Voorhis, Troy

2011-10-27

Charge separation (CS) and charge recombination (CR) rates in photosynthetic architectures are difficult to control, yet their ratio can make or break photon-to-current conversion efficiencies. A rational design approach to the enhancement of CS over CR requires a mechanistic understanding of the underlying electron-transfer (ET) process, including the role of the environment. Toward this goal, we introduce a QM/MM protocol for ET simulations and use it to characterize CR in the formanilide-anthraquinone dyad (FAAQ). Our simulations predict fast recombination of the charge-transfer excited state, in agreement with recent experiments. The computed electronic couplings show an electronic state dependence and are weaker in solution than in the gas phase. We explore the role of cis-trans isomerization on the CR kinetics, and we find strong correlation between the vertical energy gaps of the full simulations and a collective solvent polarization coordinate. Our approach relies on constrained density functional theory to obtain accurate diabatic electronic states on the fly for molecular dynamics simulations, while orientational and electronic polarization of the solvent is captured by a polarizable force field based on a Drude oscillator model. The method offers a unified approach to the characterization of driving forces, reorganization energies, electronic couplings, and nonlinear solvent effects in light-harvesting systems.

Fluctuating hydrodynamics for multiscale modeling and simulation: energy and heat transfer in molecular fluids.

PubMed

Shang, Barry Z; Voulgarakis, Nikolaos K; Chu, Jhih-Wei

2012-07-28

This work illustrates that fluctuating hydrodynamics (FHD) simulations can be used to capture the thermodynamic and hydrodynamic responses of molecular fluids at the nanoscale, including those associated with energy and heat transfer. Using all-atom molecular dynamics (MD) trajectories as the reference data, the atomistic coordinates of each snapshot are mapped onto mass, momentum, and energy density fields on Eulerian grids to generate a corresponding field trajectory. The molecular length-scale associated with finite molecule size is explicitly imposed during this coarse-graining by requiring that the variances of density fields scale inversely with the grid volume. From the fluctuations of field variables, the response functions and transport coefficients encoded in the all-atom MD trajectory are computed. By using the extracted fluid properties in FHD simulations, we show that the fluctuations and relaxation of hydrodynamic fields quantitatively match with those observed in the reference all-atom MD trajectory, hence establishing compatibility between the atomistic and field representations. We also show that inclusion of energy transfer in the FHD equations can more accurately capture the thermodynamic and hydrodynamic responses of molecular fluids. The results indicate that the proposed MD-to-FHD mapping with explicit consideration of finite molecule size provides a robust framework for coarse-graining the solution phase of complex molecular systems.

Gradient Augmented Level Set Method for Two Phase Flow Simulations with Phase Change

NASA Astrophysics Data System (ADS)

Anumolu, C. R. Lakshman; Trujillo, Mario F.

2016-11-01

A sharp interface capturing approach is presented for two-phase flow simulations with phase change. The Gradient Augmented Levelset method is coupled with the two-phase momentum and energy equations to advect the liquid-gas interface and predict heat transfer with phase change. The Ghost Fluid Method (GFM) is adopted for velocity to discretize the advection and diffusion terms in the interfacial region. Furthermore, the GFM is employed to treat the discontinuity in the stress tensor, velocity, and temperature gradient yielding an accurate treatment in handling jump conditions. Thermal convection and diffusion terms are approximated by explicitly identifying the interface location, resulting in a sharp treatment for the energy solution. This sharp treatment is extended to estimate the interfacial mass transfer rate. At the computational cell, a d-cubic Hermite interpolating polynomial is employed to describe the interface location, which is locally fourth-order accurate. This extent of subgrid level description provides an accurate methodology for treating various interfacial processes with a high degree of sharpness. The ability to predict the interface and temperature evolutions accurately is illustrated by comparing numerical results with existing 1D to 3D analytical solutions.

Thermogravimetric analysis for rapid assessment of moisture diffusivity in polydisperse powder and thin film matrices.

PubMed

Thirunathan, Praveena; Arnz, Patrik; Husny, Joeska; Gianfrancesco, Alessandro; Perdana, Jimmy

2018-03-01

Accurate description of moisture diffusivity is key to precisely understand and predict moisture transfer behaviour in a matrix. Unfortunately, measuring moisture diffusivity is not trivial, especially at low moisture values and/or elevated temperatures. This paper presents a novel experimental procedure to accurately measure moisture diffusivity based on thermogravimetric approach. The procedure is capable to measure diffusivity even at elevated temperatures (>70°C) and low moisture values (>1%). Diffusivity was extracted from experimental data based on "regular regime approach". The approach was tailored to determine diffusivity from thin film and from poly-dispersed powdered samples. Subsequently, measured diffusivity was validated by comparing to available literature data, showing good agreement. Ability of this approach to accurately measure diffusivity at a wider range of temperatures provides better insight on temperature dependency of diffusivity. Thus, this approach can be crucial to ensure good accuracy of moisture transfer description/prediction especially when involving elevated temperatures. Copyright © 2017 Elsevier Ltd. All rights reserved.

Operative record using intraoperative digital data in neurosurgery.

PubMed

Houkin, K; Kuroda, S; Abe, H

2000-01-01

The purpose of this study was to develop a new method for more efficient and accurate operative records using intra-operative digital data in neurosurgery, including macroscopic procedures and microscopic procedures under an operating microscope. Macroscopic procedures were recorded using a digital camera and microscopic procedures were also recorded using a microdigital camera attached to an operating microscope. Operative records were then recorded digitally and filed in a computer using image retouch software and database base software. The time necessary for editing of the digital data and completing the record was less than 30 minutes. Once these operative records are digitally filed, they are easily transferred and used as database. Using digital operative records along with digital photography, neurosurgeons can document their procedures more accurately and efficiently than by the conventional method (handwriting). A complete digital operative record is not only accurate but also time saving. Construction of a database, data transfer and desktop publishing can be achieved using the intra-operative data, including intra-operative photographs.

Numerical Modeling of Gas Turbine Combustor Utilizing One-Dimensional Acoustics

NASA Astrophysics Data System (ADS)

Caley, Thomas M.

This study focuses on the numerical modeling of a gas turbine combustor set-up with known regions of thermoacoustic instability. The proposed model takes the form of a hybrid thermoacoustic network, with lumped elements representing boundary conditions and the flame, and 3-dimensional geometry volumes representing the geometry. The model is analyzed using a commercial 3-D finite element method (FEM) software, COMSOL Multiphysics. A great deal of literature is available covering thermoacoustic modeling, but much of it utilizes more computationally expensive techniques such as Large-Eddy Simulations, or relies on analytical modeling that is limited to specific test cases or proprietary software. The present study models the 3-D geometry of a high-pressure combustion chamber accurately, and uses the lumped elements of a thermoacoustic network to represent parts of the combustor system that can be experimentally tested under stable conditions, ensuring that the recorded acoustic responses can be attributed to that element alone. The numerical model has been tested against the experimental model with and without an experimentally-determined impedance boundary condition. Eigenfrequency studies are used to compare the frequency and growth rates (and from that, the thermoacoustic stability) of resonant modes in the combustor. The flame in the combustor is modeled with a flame transfer function that was determined from experimental testing using frequency forcing. The effect of flow rate on the impedance boundary condition is also examined experimentally and numerically to qualify the practice of modeling an orifice plate as an acoustically-closed boundary. Using the experimental flame transfer function and boundary conditions in the numerical model produced results that closely matched previous experimental tests in frequency, but not in stability characteristics. The lightweight nature of the numerical model means additional lumped elements can be easily added when experimental data is available, creating a more accurate model without noticeably increasing the complexity or computational time.

Accurate localization and relative quantification of arginine methylation using nanoflow liquid chromatography coupled to electron transfer dissociation and orbitrap mass spectrometry.

PubMed

Wang, Hao; Straubinger, Robert M; Aletta, John M; Cao, Jin; Duan, Xiaotao; Yu, Haoying; Qu, Jun

2009-03-01

Protein arginine (Arg) methylation serves an important functional role in eucaryotic cells, and typically occurs in domains consisting of multiple Arg in close proximity. Localization of methylarginine (MA) within Arg-rich domains poses a challenge for mass spectrometry (MS)-based methods; the peptides are highly charged under electrospray ionization (ESI), which limits the number of sequence-informative products produced by collision induced dissociation (CID), and loss of the labile methylation moieties during CID precludes effective fragmentation of the peptide backbone. Here the fragmentation behavior of Arg-rich peptides was investigated comprehensively using electron-transfer dissociation (ETD) and CID for both methylated and unmodified glycine-/Arg-rich peptides (GAR), derived from residues 679-695 of human nucleolin, which contains methylation motifs that are widely-represented in biological systems. ETD produced abundant information for sequencing and MA localization, whereas CID failed to provide credible identification for any available charge state (z = 2-4). Nevertheless, CID produced characteristic neutral losses that can be employed to distinguish among different types of MA, as suggested by previous works and confirmed here with product ion scans of high accuracy/resolution by an LTQ/Orbitrap. To analyze MA-peptides in relatively complex mixtures, a method was developed that employs nano-LC coupled to alternating CID/ETD for peptide sequencing and MA localization/characterization, and an Orbitrap for accurate precursor measurement and relative quantification of MA-peptide stoichiometries. As proof of concept, GAR-peptides methylated in vitro by protein arginine N-methyltransferases PRMT1 and PRMT7 were analyzed. It was observed that PRMT1 generated a number of monomethylated (MMA) and asymmetric-dimethylated peptides, while PRMT7 produced predominantly MMA peptides and some symmetric-dimethylated peptides. This approach and the results may advance understanding of the actions of PRMTs and the functional significance of Arg methylation patterns.

Accurate Localization and Relative Quantification of Arginine Methylation Using Nanoflow Liquid Chromatography Coupled to Electron Transfer Dissociation and Orbitrap Mass Spectrometry

PubMed Central

Wang, Hao; Straubinger, Robert M.; Aletta, John M.; Cao, Jin; Duan, Xiaotao; Yu, Haoying; Qu, Jun

2012-01-01

Protein arginine (Arg) methylation serves an important functional role in eukaryotic cells, and typically occurs in domains consisting of multiple Arg in close proximity. Localization of methylarginine (MA) within Arg-rich domains poses a challenge for mass spectrometry (MS)-based methods; the peptides are highly-charged under electrospray ionization (ESI), which limits the number of sequence-informative products produced by collision induced dissociation (CID), and loss of the labile methylation moieties during CID precludes effective fragmentation of the peptide backbone. Here the fragmentation behavior of Arg-rich peptides was investigated comprehensively using electron transfer dissociation (ETD) and CID for both methylated and unmodified glycine-/Arg-rich peptides (GAR), derived from residues 679-695 of human nucleolin, which contains methylation motifs that are widely-represented in biological systems. ETD produced abundant information for sequencing and MA localization, whereas CID failed to provide credible identification for any available charge state (z=2-4). Nevertheless, CID produced characteristic neutral losses that can be employed to distinguish among different types of MA, as suggested by previous works and confirmed here with product ion scans of high accuracy/resolution by an LTQ/Orbitrap. To analyze MA-peptides in relatively complex mixtures, a method was developed that employs nano-LC coupled to alternating CID/ETD for peptide sequencing and MA localization/characterization, and an Orbitrap for accurate precursor measurement and relative quantification of MA-peptide stoichiometries. As proof of concept, GAR-peptides methylated in vitro by protein arginine N-methyltransferases PRMT1 and PRMT7 were analyzed. It was observed that PRMT1 generated a number of monomethylated (MMA) and asymmetric-dimethylated peptides, while PRMT7 produced predominantly MMA peptides and some symmetric-dimethylated peptides. This approach and the results may advance understanding of the actions of PRMTs and the functional significance of Arg methylation patterns. PMID:19110445

J-Refocused Coherence Transfer Spectroscopic Imaging at 7 T in Human Brain

PubMed Central

Pan, J.W.; Avdievich, N.; Hetherington, H.P.

2013-01-01

Short echo spectroscopy is commonly used to minimize signal modulation due to J-evolution of the cerebral amino acids. However, short echo acquisitions suffer from high sensitivity to macromolecules which make accurate baseline determination difficult. In this report, we describe implementation at 7 T of a double echo J-refocused coherence transfer sequence at echo time (TE) of 34 msec to minimize J-modulation of amino acids while also decreasing interfering macromolecule signals. Simulation of the pulse sequence at 7 T shows excellent resolution of glutamate, glutamine, and N-acetyl aspartate. B1 sufficiency at 7 T for the double echo acquisition is achieved using a transceiver array with radiofrequency (RF) shimming. Using an alternate RF distribution to minimize receiver phase cancellation in the transceiver, accurate phase determination for the coherence transfer is achieved with rapid single scan calibration. This method is demonstrated in spectroscopic imaging mode with n = 5 healthy volunteers resulting in metabolite values consistent with literature and in a patient with epilepsy. PMID:20648684

Discrete ordinates solutions of nongray radiative transfer with diffusely reflecting walls

NASA Technical Reports Server (NTRS)

Menart, J. A.; Lee, Haeok S.; Kim, Tae-Kuk

1993-01-01

Nongray gas radiation in a plane parallel slab bounded by gray, diffusely reflecting walls is studied using the discrete ordinates method. The spectral equation of transfer is averaged over a narrow wavenumber interval preserving the spectral correlation effect. The governing equations are derived by considering the history of multiple reflections between two reflecting wails. A closure approximation is applied so that only a finite number of reflections have to be explicitly included. The closure solutions express the physics of the problem to a very high degree and show relatively little error. Numerical solutions are obtained by applying a statistical narrow-band model for gas properties and a discrete ordinates code. The net radiative wail heat fluxes and the radiative source distributions are obtained for different temperature profiles. A zeroth-degree formulation, where no wall reflection is handled explicitly, is sufficient to predict the radiative transfer accurately for most cases considered, when compared with increasingly accurate solutions based on explicitly tracing a larger number of wail reflections without any closure approximation applied.

Space benefits: The secondary application of aerospace technology in other sectors of the economy

NASA Technical Reports Server (NTRS)

1976-01-01

A 'Benefit Briefing Notebook' was prepared for the NASA Technology Utilization Office to provide accurate, convenient, and integrated resource information on the transfer of aerospace technology to other sectors of the U.S. economy. The contents are divided into three sections: (1) transfer overview, (2) benefit cases, and (3) indexes. The transfer overview section provides a general perspective for technology transfer from NASA to other organizations. In addition to a description of the basic transfer modes, the selection criteria for notebook examples and the kinds of benefit data they contain are also presented. The benefits section is subdivided into nineteen subject areas. Each subsection presents one or more key issues of current interest, with discrete transfer cases related to each key issue. Additional transfer examples relevant to each subject area are then presented. Pertinent transfer data are given at the end of each example.

Finite element analyses of two dimensional, anisotropic heat transfer in wood

Treesearch

John F. Hunt; Hongmei Gu

2004-01-01

The anisotropy of wood creates a complex problem for solving heat and mass transfer problems that require analyses be based on fundamental material properties of the wood structure. Inputting basic orthogonal properties of the wood material alone are not sufficient for accurate modeling because wood is a combination of porous fiber cells that are aligned and mis-...

Improvements of the Radiation Code "MstrnX" in AORI/NIES/JAMSTEC Models

NASA Astrophysics Data System (ADS)

Sekiguchi, M.; Suzuki, K.; Takemura, T.; Watanabe, M.; Ogura, T.

2015-12-01

There is a large demand for an accurate yet rapid radiation transfer scheme accurate for general climate models. The broadband radiative transfer code "mstrnX", ,which was developed by Atmosphere and Ocean Research Institute (AORI) and was implemented in several global and regional climate models cooperatively developed in the Japanese research community, for example, MIROC (the Model for Interdisciplinary Research on Climate) [Watanabe et al., 2010], NICAM (Non-hydrostatic Icosahedral Atmospheric Model) [Satoh et al, 2008], and CReSS (Cloud Resolving Storm Simulator) [Tsuboki and Sakakibara, 2002]. In this study, we improve the gas absorption process and the scattering process of ice particles. For update of gas absorption process, the absorption line database is replaced by the latest versions of the Harvard-Smithsonian Center, HITRAN2012. An optimization method is adopted in mstrnX to decrease the number of integration points for the wavenumber integration using the correlated k-distribution method and to increase the computational efficiency in each band. The integration points and weights of the correlated k-distribution are optimized for accurate calculation of the heating rate up to altitude of 70 km. For this purpose we adopted a new non-linear optimization method of the correlated k-distribution and studied an optimal initial condition and the cost function for the non-linear optimization. It is known that mstrnX has a considerable bias in case of quadrapled carbon dioxide concentrations [Pincus et al., 2015], however, the bias is decreased by this improvement. For update of scattering process of ice particles, we adopt a solid column as an ice crystal habit [Yang et al., 2013]. The single scattering properties are calculated and tabulated in advance. The size parameter of this table is ranged from 0.1 to 1000 in mstrnX, we expand the maximum to 50000 in order to correspond to large particles, like fog and rain drop. Those update will be introduced to MIROC and adopted for CMIP6 experiment.

Polarized Radiative Transfer of a Cirrus Cloud Consisting of Randomly Oriented Hexagonal Ice Crystals: The 3 x 3 Approximation for Non-Spherical Particles

NASA Technical Reports Server (NTRS)

Stamnes, S.; Ou, S. C.; Lin, Z.; Takano, Y.; Tsay, S. C.; Liou, K.N.; Stamnes, K.

2016-01-01

The reflection and transmission of polarized light for a cirrus cloud consisting of randomly oriented hexagonal columns were calculated by two very different vector radiative transfer models. The forward peak of the phase function for the ensemble-averaged ice crystals has a value of order 6 x 10(exp 3) so a truncation procedure was used to help produce numerically efficient yet accurate results. One of these models, the Vectorized Line-by-Line Equivalent model (VLBLE), is based on the doubling- adding principle, while the other is based on a vector discrete ordinates method (VDISORT). A comparison shows that the two models provide very close although not entirely identical results, which can be explained by differences in treatment of single scattering and the representation of the scattering phase matrix. The relative differences in the reflected I and Q Stokes parameters are within 0.5 for I and within 1.5 for Q for all viewing angles. In 1971 Hansen showed that for scattering by spherical particles the 3 x 3 approximation is sufficient to produce accurate results for the reflected radiance I and the degree of polarization (DOP), and he conjectured that these results would hold also for non-spherical particles. Simulations were conducted to test Hansen's conjecture for the cirrus cloud particles considered in this study. It was found that the 3 x 3 approximation also gives accurate results for the transmitted light, and for Q and U in addition to I and DOP. For these non-spherical ice particles the 3 x 3 approximation leads to an absolute error 2 x 10(exp -6) for the reflected and transmitted I, Q and U Stokes parameters. Hence, it appears to be an excellent approximation, which significantly reduces the computational complexity and burden required for multiple scattering calculations.

Polarized radiative transfer of a cirrus cloud consisting of randomly oriented hexagonal ice crystals: The 3×3 approximation for non-spherical particles

NASA Astrophysics Data System (ADS)

Stamnes, S.; Ou, S. C.; Lin, Z.; Takano, Y.; Tsay, S. C.; Liou, K. N.; Stamnes, K.

2017-05-01

The reflection and transmission of polarized light for a cirrus cloud consisting of randomly oriented hexagonal columns were calculated by two very different vector radiative transfer models. The forward peak of the phase function for the ensemble-averaged ice crystals has a value of order 6 ×103 so a truncation procedure was used to help produce numerically efficient yet accurate results. One of these models, the Vectorized Line-by-Line Equivalent model (VLBLE), is based on the doubling-adding principle, while the other is based on a vector discrete ordinates method (VDISORT). A comparison shows that the two models provide very close although not entirely identical results, which can be explained by differences in treatment of single scattering and the representation of the scattering phase matrix. The relative differences in the reflected I and Q Stokes parameters are within 0.5% for I and within 1.5% for Q for all viewing angles. In 1971 Hansen [1] showed that for scattering by spherical particles the 3×3 approximation is sufficient to produce accurate results for the reflected radiance I and the degree of polarization (DOP), and he conjectured that these results would hold also for non-spherical particles. Simulations were conducted to test Hansen's conjecture for the cirrus cloud particles considered in this study. It was found that the 3×3 approximation also gives accurate results for the transmitted light, and for Q and U in addition to I and DOP. For these non-spherical ice particles the 3×3 approximation leads to an absolute error < 2 ×10-6 for the reflected and transmitted I, Q and U Stokes parameters. Hence, it appears to be an excellent approximation, which significantly reduces the computational complexity and burden required for multiple scattering calculations.

Drying of Durum Wheat Pasta and Enriched Pasta: A Review of Modeling Approaches.

PubMed

Mercier, Samuel; Mondor, Martin; Moresoli, Christine; Villeneuve, Sébastien; Marcos, Bernard

2016-05-18

Models on drying of durum wheat pasta and enriched pasta were reviewed to identify avenues for improvement according to consumer needs, product formulation and processing conditions. This review first summarized the fundamental phenomena of pasta drying, mass transfer, heat transfer, momentum, chemical changes, shrinkage and crack formation. The basic equations of the current models were then presented, along with methods for the estimation of pasta transport and thermodynamic properties. The experimental validation of these models was also presented and highlighted the need for further model validation for drying at high temperatures (>-100°C) and for more accurate estimation of the pasta diffusion and mass transfer coefficients. This review indicates the need for the development of mechanistic models to improve our understanding of the mass and heat transfer mechanisms involved in pasta drying, and to consider the local changes in pasta transport properties and relaxation time for more accurate description of the moisture transport near glass transition conditions. The ability of current models to describe dried pasta quality according to the consumers expectations or to predict the impact of incorporating ingredients high in nutritional value on the drying of these enriched pasta was also discussed.

Access to the NCAR Research Data Archive via the Globus Data Transfer Service

NASA Astrophysics Data System (ADS)

Cram, T.; Schuster, D.; Ji, Z.; Worley, S. J.

2014-12-01

The NCAR Research Data Archive (RDA; http://rda.ucar.edu) contains a large and diverse collection of meteorological and oceanographic observations, operational and reanalysis outputs, and remote sensing datasets to support atmospheric and geoscience research. The RDA contains greater than 600 dataset collections which support the varying needs of a diverse user community. The number of RDA users is increasing annually, and the most popular method used to access the RDA data holdings is through web based protocols, such as wget and cURL based scripts. In the year 2013, 10,000 unique users downloaded greater than 820 terabytes of data from the RDA, and customized data products were prepared for more than 29,000 user-driven requests. In order to further support this increase in web download usage, the RDA is implementing the Globus data transfer service (www.globus.org) to provide a GridFTP data transfer option for the user community. The Globus service is broadly scalable, has an easy to install client, is sustainably supported, and provides a robust, efficient, and reliable data transfer option for RDA users. This paper highlights the main functionality and usefulness of the Globus data transfer service for accessing the RDA holdings. The Globus data transfer service, developed and supported by the Computation Institute at The University of Chicago and Argonne National Laboratory, uses the GridFTP as a fast, secure, and reliable method for transferring data between two endpoints. A Globus user account is required to use this service, and data transfer endpoints are defined on the Globus web interface. In the RDA use cases, the access endpoint is created on the RDA data server at NCAR. The data user defines the receiving endpoint for the data transfer, which can be the main file system at a host institution, a personal work station, or laptop. Once initiated, the data transfer runs as an unattended background process by Globus, and Globus ensures that the transfer is accurately fulfilled. Users can monitor the data transfer progress on the Globus web interface and optionally receive an email notification once it is complete. Globus also provides a command-line interface to support scripted transfers, which can be useful when embedded in data processing workflows.

Modeling the impact of preflushing on CTE in proton irradiated CCD-based detectors

NASA Astrophysics Data System (ADS)

Philbrick, R. H.

2002-04-01

A software model is described that performs a "real world" simulation of the operation of several types of charge-coupled device (CCD)-based detectors in order to accurately predict the impact that high-energy proton radiation has on image distortion and modulation transfer function (MTF). The model was written primarily to predict the effectiveness of vertical preflushing on the custom full frame CCD-based detectors intended for use on the proposed Kepler Discovery mission, but it is capable of simulating many other types of CCD detectors and operating modes as well. The model keeps track of the occupancy of all phosphorous-silicon (P-V), divacancy (V-V) and oxygen-silicon (O-V) defect centers under every CCD electrode over the entire detector area. The integrated image is read out by simulating every electrode-to-electrode charge transfer in both the vertical and horizontal CCD registers. A signal level dependency on the capture and emission of signal is included and the current state of each electrode (e.g., barrier or storage) is considered when distributing integrated and emitted signal. Options for performing preflushing, preflashing, and including mini-channels are available on both the vertical and horizontal CCD registers. In addition, dark signal generation and image transfer smear can be selectively enabled or disabled. A comparison of the charge transfer efficiency (CTE) data measured on the Hubble space telescope imaging spectrometer (STIS) CCD with the CTE extracted from model simulations of the STIS CCD show good agreement.

Modeling carbon dioxide, pH, and un-ionized ammonia relationships in serial reuse systems

USGS Publications Warehouse

Colt, J.; Watten, B.; Rust, M.

2009-01-01

In serial reuse systems, excretion of metabolic carbon dioxide has a significant impact on ambient pH, carbon dioxide, and un-ionized ammonia concentrations. This impact depends strongly on alkalinity, water flow rate, feeding rate, and loss of carbon dioxide to the atmosphere. A reduction in pH from metabolic carbon dioxide can significantly reduce the un-ionized ammonia concentration and increase the carbon dioxide concentrations compared to those parameters computed from influent pH. The ability to accurately predict pH in serial reuse systems is critical to their design and effective operation. A trial and error solution to the alkalinity-pH system was used to estimate important water quality parameters in serial reuse systems. Transfer of oxygen and carbon dioxide across the air-water interface, at overflow weirs, and impacts of substrate-attached algae and suspended bacteria were modeled. Gas transfer at the weirs was much greater than transfer across the air-water boundary. This simulation model can rapidly estimate influent and effluent concentrations of dissolved oxygen, carbon dioxide, and un-ionized ammonia as a function of water temperature, elevation, water flow, and weir type. The accuracy of the estimates strongly depends on assumed pollutional loading rates and gas transfer at the weirs. The current simulation model is based on mean daily loading rates; the impacts of daily variation loading rates are discussed. Copies of the source code and executable program are available free of charge.

Modeling Carbon Dioxide, pH and Un-Ionized Ammonia Relationships in Serial Reuse Systems

USGS Publications Warehouse

Watten, Barnaby J.; Rust, Michael; Colt, John

2009-01-01

In serial reuse systems, excretion of metabolic carbon dioxide has a significant impact on ambient pH, carbon dioxide, and un-ionized ammonia concentrations. This impact depends strongly on alkalinity, water flow rate, feeding rate, and loss of carbon dioxide to the atmosphere. A reduction in pH from metabolic carbon dioxide can significantly reduce the un-ionized ammonia concentration and increase the carbon dioxide concentrations compared to those parameters computed from influent pH. The ability to accurately predict pH in serial reuse systems is critical to their design and effective operation. A trial and error solution to the alkalinity–pH system was used to estimate important water quality parameters in serial reuse systems. Transfer of oxygen and carbon dioxide across the air–water interface, at overflow weirs, and impacts of substrate-attached algae and suspended bacteria were modeled. Gas transfer at the weirs was much greater than transfer across the air–water boundary. This simulation model can rapidly estimate influent and effluent concentrations of dissolved oxygen, carbon dioxide, and un-ionized ammonia as a function of water temperature, elevation, water flow, and weir type. The accuracy of the estimates strongly depends on assumed pollutional loading rates and gas transfer at the weirs. The current simulation model is based on mean daily loading rates; the impacts of daily variation loading rates are discussed. Copies of the source code and executable program are available free of charge.

Fast and Accurate Radiative Transfer Calculations Using Principal Component Analysis for (Exo-)Planetary Retrieval Models

NASA Astrophysics Data System (ADS)

Kopparla, P.; Natraj, V.; Shia, R. L.; Spurr, R. J. D.; Crisp, D.; Yung, Y. L.

2015-12-01

Radiative transfer (RT) computations form the engine of atmospheric retrieval codes. However, full treatment of RT processes is computationally expensive, prompting usage of two-stream approximations in current exoplanetary atmospheric retrieval codes [Line et al., 2013]. Natraj et al. [2005, 2010] and Spurr and Natraj [2013] demonstrated the ability of a technique using principal component analysis (PCA) to speed up RT computations. In the PCA method for RT performance enhancement, empirical orthogonal functions are developed for binned sets of inherent optical properties that possess some redundancy; costly multiple-scattering RT calculations are only done for those few optical states corresponding to the most important principal components, and correction factors are applied to approximate radiation fields. Kopparla et al. [2015, in preparation] extended the PCA method to a broadband spectral region from the ultraviolet to the shortwave infrared (0.3-3 micron), accounting for major gas absorptions in this region. Here, we apply the PCA method to a some typical (exo-)planetary retrieval problems. Comparisons between the new model, called Universal Principal Component Analysis Radiative Transfer (UPCART) model, two-stream models and line-by-line RT models are performed, for spectral radiances, spectral fluxes and broadband fluxes. Each of these are calculated at the top of the atmosphere for several scenarios with varying aerosol types, extinction and scattering optical depth profiles, and stellar and viewing geometries. We demonstrate that very accurate radiance and flux estimates can be obtained, with better than 1% accuracy in all spectral regions and better than 0.1% in most cases, as compared to a numerically exact line-by-line RT model. The accuracy is enhanced when the results are convolved to typical instrument resolutions. The operational speed and accuracy of UPCART can be further improved by optimizing binning schemes and parallelizing the codes, work on which is under way.

Transfer of function and prior derived-relations testing.

PubMed

Doughty, Adam H; Best, Lauren

2017-10-01

This experiment assessed transfer of function through equivalence relations with and without prior derived-stimulus-relations (DSR) testing. In a DSR-Testing Group, eight college students learned A-B and A-C discriminations in baseline. They then derived the B-C and C-B equivalence relations before being exposed to a transfer-of-function manipulation and test. Eight participants in a No-DSR Testing Group were exposed to the transfer-of-function manipulation and test immediately after learning the baseline discriminations (i.e., B-C and C-B testing were omitted). In the transfer-of-function manipulation, participants learned to respond differently in the presence of B1 and B2 to avoid money loss. In the transfer-of-function test, responding in the presence of C1 and C2 was measured in the absence of differential consequences. Transfer of function occurred reliably only in the DSR-Testing Group (i.e., participants responding to C1 and C2 in the manner they learned to respond to B1 and B2, respectively). These findings support the notion that prior DSR testing can be critical to observing transfer of function. Copyright © 2017 Elsevier B.V. All rights reserved.

System and method of active vibration control for an electro-mechanically cooled device

DOEpatents

Lavietes, Anthony D.; Mauger, Joseph; Anderson, Eric H.

2000-01-01

A system and method of active vibration control of an electro-mechanically cooled device is disclosed. A cryogenic cooling system is located within an environment. The cooling system is characterized by a vibration transfer function, which requires vibration transfer function coefficients. A vibration controller generates the vibration transfer function coefficients in response to various triggering events. The environments may differ by mounting apparatus, by proximity to vibration generating devices, or by temperature. The triggering event may be powering on the cooling system, reaching an operating temperature, or a reset action. A counterbalance responds to a drive signal generated by the vibration controller, based on the vibration signal and the vibration transfer function, which adjusts vibrations. The method first places a cryogenic cooling system within a first environment and then generates a first set of vibration transfer function coefficients, for a vibration transfer function of the cooling system. Next, the cryogenic cooling system is placed within a second environment and a second set of vibration transfer function coefficients are generated. Then, a counterbalance is driven, based on the vibration transfer function, to reduce vibrations received by a vibration sensitive element.

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

PubMed

Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

2015-08-11

The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD

PubMed Central

2017-01-01

Developing ab initio approaches able to provide accurate excited-state energies at a reasonable computational cost is one of the biggest challenges in theoretical chemistry. In that framework, the Bethe–Salpeter equation approach, combined with the GW exchange-correlation self-energy, which maintains the same scaling with system size as TD-DFT, has recently been the focus of a rapidly increasing number of applications in molecular chemistry. Using a recently proposed set encompassing excitation energies of many kinds [J. Phys. Chem. Lett.2016, 7, 586–591], we investigate here the performances of BSE/GW. We compare these results to CASPT2, EOM-CCSD, and TD-DFT data and show that BSE/GW provides an accuracy comparable to the two wave function methods. It is particularly remarkable that the BSE/GW is equally efficient for valence, Rydberg, and charge-transfer excitations. In contrast, it provides a poor description of triplet excited states, for which EOM-CCSD and CASPT2 clearly outperform BSE/GW. This contribution therefore supports the use of the Bethe–Salpeter approach for spin-conserving transitions. PMID:28301726

Characterization and Analyses of Valves, Feed Lines and Tanks used in Propellant Delivery Systems at NASA SSC

NASA Technical Reports Server (NTRS)

Ryan, Harry M.; Coote, David J.; Ahuja, Vineet; Hosangadi, Ashvin

2006-01-01

Accurate modeling of liquid rocket engine test processes involves assessing critical fluid mechanic and heat and mass transfer mechanisms within a cryogenic environment, and accurately modeling fluid properties such as vapor pressure and liquid and gas densities as a function of pressure and temperature. The Engineering and Science Directorate at the NASA John C. Stennis Space Center has developed and implemented such analytic models and analysis processes that have been used over a broad range of thermodynamic systems and resulted in substantial improvements in rocket propulsion testing services. In this paper, we offer an overview of the analyses techniques used to simulate pressurization and propellant fluid systems associated with the test stands at the NASA John C. Stennis Space Center. More specifically, examples of the global performance (one-dimensional) of a propellant system are provided as predicted using the Rocket Propulsion Test Analysis (RPTA) model. Computational fluid dynamic (CFD) analyses utilizing multi-element, unstructured, moving grid capability of complex cryogenic feed ducts, transient valve operation, and pressurization and mixing in propellant tanks are provided as well.

Development of a nursing handoff tool: a web-based application to enhance patient safety.

PubMed

Goldsmith, Denise; Boomhower, Marc; Lancaster, Diane R; Antonelli, Mary; Kenyon, Mary Anne Murphy; Benoit, Angela; Chang, Frank; Dykes, Patricia C

2010-11-13

Dynamic and complex clinical environments present many challenges for effective communication among health care providers. The omission of accurate, timely, easily accessible vital information by health care providers significantly increases risk of patient harm and can have devastating consequences for patient care. An effective nursing handoff supports the standardized transfer of accurate, timely, critical patient information, as well as continuity of care and treatment, resulting in enhanced patient safety. The Brigham and Women's/Faulkner Hospital Healthcare Information Technology Innovation Program (HIP) is supporting the development of a web based nursing handoff tool (NHT). The goal of this project is to develop a "proof of concept" handoff application to be evaluated by nurses on the inpatient intermediate care units. The handoff tool would enable nurses to use existing knowledge of evidence-based handoff methodology in their everyday practice to improve patient care and safety. In this paper, we discuss the results of nursing focus groups designed to identify the current state of handoff practice as well as the functional and data element requirements of a web based Nursing Handoff Tool (NHT).

Accurate and agile digital control of optical phase, amplitude and frequency for coherent atomic manipulation of atomic systems.

PubMed

Thom, Joseph; Wilpers, Guido; Riis, Erling; Sinclair, Alastair G

2013-08-12

We demonstrate a system for fast and agile digital control of laser phase, amplitude and frequency for applications in coherent atomic systems. The full versatility of a direct digital synthesis radiofrequency source is faithfully transferred to laser radiation via acousto-optic modulation. Optical beatnotes are used to measure phase steps up to 2π, which are accurately implemented with a resolution of ≤ 10 mrad. By linearizing the optical modulation process, amplitude-shaped pulses of durations ranging from 500 ns to 500 ms, in excellent agreement with the programmed functional form, are demonstrated. Pulse durations are limited only by the 30 ns rise time of the modulation process, and a measured extinction ratio of > 5 × 10(11) is achieved. The system presented here was developed specifically for controlling the quantum state of trapped ions with sequences of multiple laser pulses, including composite and bichromatic pulses. The demonstrated techniques are widely applicable to other atomic systems ranging across quantum information processing, frequency metrology, atom interferometry, and single-photon generation.

Computer method for identification of boiler transfer functions

NASA Technical Reports Server (NTRS)

Miles, J. H.

1971-01-01

An iterative computer method is described for identifying boiler transfer functions using frequency response data. An objective penalized performance measure and a nonlinear minimization technique are used to cause the locus of points generated by a transfer function to resemble the locus of points obtained from frequency response measurements. Different transfer functions can be tried until a satisfactory empirical transfer function to the system is found. To illustrate the method, some examples and some results from a study of a set of data consisting of measurements of the inlet impedance of a single tube forced flow boiler with inserts are given.

A Fast and Accurate Method of Radiation Hydrodynamics Calculation in Spherical Symmetry

NASA Astrophysics Data System (ADS)

Stamer, Torsten; Inutsuka, Shu-ichiro

2018-06-01

We develop a new numerical scheme for solving the radiative transfer equation in a spherically symmetric system. This scheme does not rely on any kind of diffusion approximation, and it is accurate for optically thin, thick, and intermediate systems. In the limit of a homogeneously distributed extinction coefficient, our method is very accurate and exceptionally fast. We combine this fast method with a slower but more generally applicable method to describe realistic problems. We perform various test calculations, including a simplified protostellar collapse simulation. We also discuss possible future improvements.

Application of artificial neural network for heat transfer in porous cone

NASA Astrophysics Data System (ADS)

Athani, Abdulgaphur; Ahamad, N. Ameer; Badruddin, Irfan Anjum

2018-05-01

Heat transfer in porous medium is one of the classical areas of research that has been active for many decades. The heat transfer in porous medium is generally studied by using numerical methods such as finite element method; finite difference method etc. that solves coupled partial differential equations by converting them into simpler forms. The current work utilizes an alternate method known as artificial neural network that mimics the learning characteristics of neurons. The heat transfer in porous medium fixed in a cone is predicted using backpropagation neural network. The artificial neural network is able to predict this behavior quite accurately.

Evaluation of factors affecting accurate measurements of atmospheric CO2 and CH4 by wavelength-scanned cavity ring-down spectroscopy

NASA Astrophysics Data System (ADS)

Nara, H.; Tanimoto, H.; Tohjima, Y.; Mukai, H.; Nojiri, Y.; Katsumata, K.; Rella, C.

2012-07-01

We examined potential interferences from water vapor and atmospheric background gases (N2, O2, and Ar), and biases by isotopologues of target species, on accurate measurement of atmospheric CO2 and CH4 by means of wavelength-scanned cavity ring-down spectroscopy (WS-CRDS). Variations in the composition of the background gas substantially impacted the CO2 and CH4 measurements: the measured amounts of CO2 and CH4 decreased with increasing N2 mole fraction, but increased with increasing O2 and Ar, suggesting that the pressure-broadening effects (PBEs) increased as Ar < O2 < N2. Using these experimental results, we inferred PBEs for the measurement of synthetic standard gases. The PBEs were negligible (up to 0.05 ppm for CO2 and 0.01 ppb for CH4) for gas standards balanced with purified air, although the PBEs were substantial (up to 0.87 ppm for CO2 and 1.4 ppb for CH4) for standards balanced with synthetic air. For isotopic biases on CO2 measurements, we compared experimental results and theoretical calculations, which showed excellent agreement within their uncertainty. We derived empirical correction functions for water vapor for three WS-CRDS instruments (Picarro EnviroSense 3000i, G-1301, and G-2301). Although the transferability of the functions was not clear, no significant difference was found in the water vapor correction values among these instruments within the typical analytical precision at sufficiently low water concentrations (< 0.3%V for CO2 and < 0.4%V for CH4). For accurate measurements of CO2 and CH4 in ambient air, we concluded that WS-CRDS measurements should be performed under complete dehumidification of air samples, or moderate dehumidification followed by application of a water vapor correction function, along with calibration by natural air-based standard gases or purified air-balanced synthetic standard gases with isotopic correction.

A semiempirical linear model of indirect, flat-panel x-ray detectors.

PubMed

Huang, Shih-Ying; Yang, Kai; Abbey, Craig K; Boone, John M

2012-04-01

It is important to understand signal and noise transfer in the indirect, flat-panel x-ray detector when developing and optimizing imaging systems. For optimization where simulating images is necessary, this study introduces a semiempirical model to simulate projection images with user-defined x-ray fluence interaction. The signal and noise transfer in the indirect, flat-panel x-ray detectors is characterized by statistics consistent with energy-integration of x-ray photons. For an incident x-ray spectrum, x-ray photons are attenuated and absorbed in the x-ray scintillator to produce light photons, which are coupled to photodiodes for signal readout. The signal mean and variance are linearly related to the energy-integrated x-ray spectrum by empirically determined factors. With the known first- and second-order statistics, images can be simulated by incorporating multipixel signal statistics and the modulation transfer function of the imaging system. To estimate the semiempirical input to this model, 500 projection images (using an indirect, flat-panel x-ray detector in the breast CT system) were acquired with 50-100 kilovolt (kV) x-ray spectra filtered with 0.1-mm tin (Sn), 0.2-mm copper (Cu), 1.5-mm aluminum (Al), or 0.05-mm silver (Ag). The signal mean and variance of each detector element and the noise power spectra (NPS) were calculated and incorporated into this model for accuracy. Additionally, the modulation transfer function of the detector system was physically measured and incorporated in the image simulation steps. For validation purposes, simulated and measured projection images of air scans were compared using 40 kV∕0.1-mm Sn, 65 kV∕0.2-mm Cu, 85 kV∕1.5-mm Al, and 95 kV∕0.05-mm Ag. The linear relationship between the measured signal statistics and the energy-integrated x-ray spectrum was confirmed and incorporated into the model. The signal mean and variance factors were linearly related to kV for each filter material (r(2) of signal mean to kV: 0.91, 0.93, 0.86, and 0.99 for 0.1-mm Sn, 0.2-mm Cu, 1.5-mm Al, and 0.05-mm Ag, respectively; r(2) of signal variance to kV: 0.99 for all four filters). The comparison of the signal and noise (mean, variance, and NPS) between the simulated and measured air scan images suggested that this model was reasonable in predicting accurate signal statistics of air scan images using absolute percent error. Overall, the model was found to be accurate in estimating signal statistics and spatial correlation between the detector elements of the images acquired with indirect, flat-panel x-ray detectors. The semiempirical linear model of the indirect, flat-panel x-ray detectors was described and validated with images of air scans. The model was found to be a useful tool in understanding the signal and noise transfer within indirect, flat-panel x-ray detector systems.

Impact of nongray multiphase radiation in pulverized coal combustion

NASA Astrophysics Data System (ADS)

Roy, Somesh; Wu, Bifen; Modest, Michael; Zhao, Xinyu

2016-11-01

Detailed modeling of radiation is important for accurate modeling of pulverized coal combustion. Because of high temperature and optical properties, radiative heat transfer from coal particles is often more dominant than convective heat transfer. In this work a multiphase photon Monte Carlo radiation solver is used to investigate and to quantify the effect of nongray radiation in a laboratory-scale pulverized coal flame. The nongray radiative properties of carrier phase (gas) is modeled using HITEMP database. Three major species - CO, CO2, and H2O - are treated as participating gases. Two optical models are used to evaluate radiative properties of coal particles: a formulation based on the large particle limit and a size-dependent correlation. Effect of scattering due to coal particle is also investigated using both isotropic scattering and anisotropic scattering using a Henyey-Greenstein function. Lastly, since the optical properties of ash is very different from that of coal, the effect of ash content on the radiative properties of coal particle is examined. This work used Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation Grant Number ACI-1053575.

Theoretical and material studies on thin-film electroluminescent devices

NASA Technical Reports Server (NTRS)

Summers, C. J.; Brennan, K. F.

1986-01-01

A theoretical study of resonant tunneling in multilayered heterostructures is presented based on an exact solution of the Schroedinger equation under the application of a constant electric field. By use of the transfer matrix approach, the transmissivity of the structure is determined as a function of the incident electron energy. The approach presented is easily extended to many layer structures where it is more accurate than other existing transfer matrix or WKB models. The transmission resonances are compared to the bound state energies calculated for a finite square well under bias using either an asymmetric square well model or the exact solution of an infinite square well under the application of an electric field. The results show good agreement with other existing models as well as with the bound state energies. The calculations were then applied to a new superlattice structure, the variablly spaced superlattice energy filter, (VSSEP) which is designed such that under bias the spatial quantization levels fully align. Based on these calculations, a new class of resonant tunneling superlattice devices can be designed.

Transfer RNA: a dancer between charging and mis-charging for protein biosynthesis.

PubMed

Zhou, Xiaolong; Wang, Enduo

2013-10-01

Transfer RNA plays a fundamental role in the protein biosynthesis as an adaptor molecule by functioning as a biological link between the genetic nucleotide sequence in the mRNA and the amino acid sequence in the protein. To perform its role in protein biosynthesis, it has to be accurately recognized by aminoacyl-tRNA synthetases (aaRSs) to generate aminoacyl-tRNAs (aa-tRNAs). The correct pairing between an amino acid with its cognate tRNA is crucial for translational quality control. Production and utilization of mis-charged tRNAs are usually detrimental for all the species, resulting in cellular dysfunctions. Correct aa-tRNAs formation is collectively controlled by aaRSs with distinct mechanisms and/or other trans-factors. However, in very limited instances, mis-charged tRNAs are intermediate for specific pathways or essential components for the translational machinery. Here, from the point of accuracy in tRNA charging, we review our understanding about the mechanism ensuring correct aa-tRNA generation. In addition, some unique mis-charged tRNA species necessary for the organism are also briefly described.

The frozen nucleon approximation in two-particle two-hole response functions

DOE PAGES

Ruiz Simo, I.; Amaro, J. E.; Barbaro, M. B.; ...

2017-07-10

Here, we present a fast and efficient method to compute the inclusive two-particle two-hole (2p–2h) electroweak responses in the neutrino and electron quasielastic inclusive cross sections. The method is based on two approximations. The first neglects the motion of the two initial nucleons below the Fermi momentum, which are considered to be at rest. This approximation, which is reasonable for high values of the momentum transfer, turns out also to be quite good for moderate values of the momentum transfer q ≳kF. The second approximation involves using in the “frozen” meson-exchange currents (MEC) an effective Δ-propagator averaged over the Fermimore » sea. Within the resulting “frozen nucleon approximation”, the inclusive 2p–2h responses are accurately calculated with only a one-dimensional integral over the emission angle of one of the final nucleons, thus drastically simplifying the calculation and reducing the computational time. The latter makes this method especially well-suited for implementation in Monte Carlo neutrino event generators.« less

The frozen nucleon approximation in two-particle two-hole response functions

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

Ruiz Simo, I.; Amaro, J. E.; Barbaro, M. B.

Here, we present a fast and efficient method to compute the inclusive two-particle two-hole (2p–2h) electroweak responses in the neutrino and electron quasielastic inclusive cross sections. The method is based on two approximations. The first neglects the motion of the two initial nucleons below the Fermi momentum, which are considered to be at rest. This approximation, which is reasonable for high values of the momentum transfer, turns out also to be quite good for moderate values of the momentum transfer q ≳kF. The second approximation involves using in the “frozen” meson-exchange currents (MEC) an effective Δ-propagator averaged over the Fermimore » sea. Within the resulting “frozen nucleon approximation”, the inclusive 2p–2h responses are accurately calculated with only a one-dimensional integral over the emission angle of one of the final nucleons, thus drastically simplifying the calculation and reducing the computational time. The latter makes this method especially well-suited for implementation in Monte Carlo neutrino event generators.« less

A new generation of effective core potentials for correlated calculations

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

Bennett, Michael Chandler; Melton, Cody A.; Annaberdiyev, Abdulgani

Here, we outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by recent advances in many-body wave function methods. The key improvements include consistent use of correlated methods throughout ECP constructions and improved transferability as required for an accurate description of molecular systems over a range of geometries. The guiding principle is the isospectrality of all-electron and ECP Hamiltonians for a subset of valence states. We illustrate these concepts on a few first- and second-row atoms (B, C, N, O, S), and we obtainmore » higher accuracy in transferability than previous constructions while using semi-local ECPs with a small number of parameters. In addition, the constructed ECPs enable many-body calculations of valence properties with higher (or same) accuracy than their all-electron counterparts with uncorrelated cores. This implies that the ECPs include also some of the impacts of core-core and core-valence correlations on valence properties. The results open further prospects for ECP improvements and refinements.« less

Rapid Assembly of Customized TALENs into Multiple Delivery Systems

PubMed Central

Zhang, Zhengxing; Zhang, Siliang; Huang, Xin; Orwig, Kyle E.; Sheng, Yi

2013-01-01

Transcriptional activator-like effector nucleases (TALENs) have become a powerful tool for genome editing. Here we present an efficient TALEN assembly approach in which TALENs are assembled by direct Golden Gate ligation into Gateway® Entry vectors from a repeat variable di-residue (RVD) plasmid array. We constructed TALEN pairs targeted to mouse Ddx3 subfamily genes, and demonstrated that our modified TALEN assembly approach efficiently generates accurate TALEN moieties that effectively introduce mutations into target genes. We generated “user friendly” TALEN Entry vectors containing TALEN expression cassettes with fluorescent reporter genes that can be efficiently transferred via Gateway (LR) recombination into different delivery systems. We demonstrated that the TALEN Entry vectors can be easily transferred to an adenoviral delivery system to expand application to cells that are difficult to transfect. Since TALENs work in pairs, we also generated a TALEN Entry vector set that combines a TALEN pair into one PiggyBac transposon-based destination vector. The approach described here can also be modified for construction of TALE transcriptional activators, repressors or other functional domains. PMID:24244669

An evaluation of nursing tasks.

PubMed

Baptiste, Andrea

2011-01-01

Functional capacity evaluations have been criticized as being too general in theory and not being accurate enough to determine what tasks an employee can perform. This paper will describe results of a descriptive study that was conducted in a laboratory setting to objectively determine the physical demands of patient transfer tasks performed by nurses. Fifty three tasks were analyzed and broken down into sub-tasks to quantify the peak force required to perform each sub-task in order to determine which tasks pose healthcare workers at highest risk of injury. Dissecting the transfer task into segments allows us to see which part of the task requires high forces on the part of the caregiver. The task can then be modified to eliminate the risk of injury to the caregiver. This modification can be accomplished by using healthcare technology, such as floor based or overhead lifts, friction reducing devices, sit to stand lifts, properly designed slings, and motorized beds/trolleys. Technological solutions are available for some of these high risk tasks and should be implemented where applicable to reduce the force demand and eliminate or reduce the risk of injury to healthcare workers in nursing.

A new generation of effective core potentials for correlated calculations

DOE PAGES

Bennett, Michael Chandler; Melton, Cody A.; Annaberdiyev, Abdulgani; ...

2017-12-12

Here, we outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by recent advances in many-body wave function methods. The key improvements include consistent use of correlated methods throughout ECP constructions and improved transferability as required for an accurate description of molecular systems over a range of geometries. The guiding principle is the isospectrality of all-electron and ECP Hamiltonians for a subset of valence states. We illustrate these concepts on a few first- and second-row atoms (B, C, N, O, S), and we obtainmore » higher accuracy in transferability than previous constructions while using semi-local ECPs with a small number of parameters. In addition, the constructed ECPs enable many-body calculations of valence properties with higher (or same) accuracy than their all-electron counterparts with uncorrelated cores. This implies that the ECPs include also some of the impacts of core-core and core-valence correlations on valence properties. The results open further prospects for ECP improvements and refinements.« less

Numerical investigation of two- and three-dimensional heat transfer in expander cycle engines

NASA Technical Reports Server (NTRS)

Burch, Robert L.; Cheung, Fan-Bill

1993-01-01

The concept of using tube canting for enhancing the hot-side convective heat transfer in a cross-stream tubular rocket combustion chamber is evaluated using a CFD technique in this study. The heat transfer at the combustor wall is determined from the flow field generated by a modified version of the PARC Navier-Stokes Code, using the actual dimensions, fluid properties, and design parameters of a split-expander demonstrator cycle engine. The effects of artificial dissipation on convergence and solution accuracy are investigated. Heat transfer results predicted by the code are presented. The use of CFD in heat transfer calculations is critically examined to demonstrate the care needed in the use of artificial dissipation for good convergence and accurate solutions.

The Envoy® Totally Implantable Hearing System, St. Croix Medical

PubMed Central

Kroll, Kai; Grant, Iain L.; Javel, Eric

2002-01-01

The Totally Implantable Envoy® System is currently undergoing clinical trials in both the United States and Europe. The fully implantable hearing device is intended for use in patients with sensorineural hearing loss. The device employs piezoelectric transducers to sense ossicle motion and drive the stapes. Programmable signal processing parameters include amplification, compression, and variable frequency response. The fully implantable attribute allows users to take advantage of normal external ear resonances and head-related transfer functions, while avoiding undesirable earmold effects. The high sensitivity, low power consumption, and high fidelity attributes of piezoelectric transducers minimize acoustic feedback and maximize battery life (Gyo, 1996; Yanagihara, (1987) and 2001). The surgical procedure to install the device has been accurately defined and implantation is reversible. PMID:25425915

Space Flight Cable Model Development

NASA Technical Reports Server (NTRS)

Spak, Kaitlin

2013-01-01

This work concentrates the modeling efforts presented in last year's VSGC conference paper, "Model Development for Cable-Harnessed Beams." The focus is narrowed to modeling of space-flight cables only, as a reliable damped cable model is not yet readily available and is necessary to continue modeling cable-harnessed space structures. New experimental data is presented, eliminating the low-frequency noise that plagued the first year's efforts. The distributed transfer function method is applied to a single section of space flight cable for Euler-Bernoulli and shear beams. The work presented here will be developed into a damped cable model that can be incorporated into an interconnected beam-cable system. The overall goal of this work is to accurately predict natural frequencies and modal damping ratios for cabled space structures.

A temperature match based optimization method for daily load prediction considering DLC effect

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

Yu, Z.

This paper presents a unique optimization method for short term load forecasting. The new method is based on the optimal template temperature match between the future and past temperatures. The optimal error reduction technique is a new concept introduced in this paper. Two case studies show that for hourly load forecasting, this method can yield results as good as the rather complicated Box-Jenkins Transfer Function method, and better than the Box-Jenkins method; for peak load prediction, this method is comparable in accuracy to the neural network method with back propagation, and can produce more accurate results than the multi-linear regressionmore » method. The DLC effect on system load is also considered in this method.« less

Charge separation at nanoscale interfaces: energy-level alignment including two-quasiparticle interactions.

PubMed

Li, Huashan; Lin, Zhibin; Lusk, Mark T; Wu, Zhigang

2014-10-21

The universal and fundamental criteria for charge separation at interfaces involving nanoscale materials are investigated. In addition to the single-quasiparticle excitation, all the two-quasiparticle effects including exciton binding, Coulomb stabilization, and exciton transfer are considered, which play critical roles on nanoscale interfaces for optoelectronic applications. We propose a scheme allowing adding these two-quasiparticle interactions on top of the single-quasiparticle energy level alignment for determining and illuminating charge separation at nanoscale interfaces. Employing the many-body perturbation theory based on Green's functions, we quantitatively demonstrate that neglecting or simplifying these crucial two-quasiparticle interactions using less accurate methods is likely to predict qualitatively incorrect charge separation behaviors at nanoscale interfaces where quantum confinement dominates.

A simple approach for the sonochemical loading of Au, Ag and Pd nanoparticle on functionalized MWCNT and subsequent dispersion studies for removal of organic dyes: Artificial neural network and response surface methodology studies.

PubMed

Moghaddari, Mitra; Yousefi, Fakhri; Ghaedi, Mehrorang; Dashtian, Kheibar

2018-04-01

In this study, the artificial neural network (ANN) and response surface methodology (RSM) based on central composite design (CCD) were applied for modeling and optimization of the simultaneous ultrasound-assisted removal of quinoline yellow (QY) and eosin B (EB). The MWCNT-NH 2 and its composites were prepared by sonochemistry method and characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and energy dispersive spectroscopy (EDS) analysis's. Initial dyes concentrations, adsorbent mass, sonication time and pH contribution on QY and EB removal percentage were investigated by CCD and replication of experiments at conditions suggested by model has results which statistically are close to experimented data. The ultrasound irradiation is associated with raising mass transfer of process so that small amount of the adsorbent (0.025 g) is able to remove high percentage (88.00% and 91.00%) of QY and EB, respectively in short time (6.0 min) at pH = 6. Analysis of experimental data by conventional models is good indication of Langmuir efficiency for fitting and explanation of experimented data. The ANN based on the Levenberg-Marquardt algorithm (LMA) combined of linear transfer function at output layer and tangent sigmoid transfer function at hidden layer with 20 hidden neurons supply best operation conditions for good prediction of adsorption data. Accurate and efficient artificial neural network was obtained by changing the number of neurons in the hidden layer, while data was divided into training, test and validation sets which contained 70, 15 and 15% of data points respectively. The Average absolute deviation (AAD)% of a collection of 128 data points for MWCNT-NH 2 and composites is 0.58%.for EB and 0.55 for YQ. Copyright © 2017 Elsevier B.V. All rights reserved.

Using a microfossil-based approach to constrain megathrust-induced coseismic land displacement in coastal Oregon, USA

NASA Astrophysics Data System (ADS)

Hawkes, A. D.; Horton, B. P.

2007-05-01

Paleoseismologists infer the amount of coseismic subsidence during plate-boundary earthquakes from stratigraphic changes in microfossils across sharp peat-mud and peat-sand contacts. However, the use of lithostratigraphic-based reconstructions is associated with a number of limitations, and these become particularly significant when examining low amplitude, short period variations that occur during a plate-boundary earthquake. To address this, paleoecologists working in the coastal zone have recently adopted a transfer- function approach to environmental reconstruction. Continuing subduction of the Juan de Fuca plate beneath the North America plate constitutes a major seismic hazard in the Pacific Northwest. The subduction zone interface presently lacks seismicity. The timing of the last great earthquake along the Cascadia subduction zone (1700AD) is now well refined by Japanese records of an orphan tsunami (no causal earthquake was felt in Japan) that was generated from an earthquake off the Pacific Northwest on the evening of January 26th 1700AD. I will apply the transfer function to modern foraminiferal datasets along coastal Oregon to analyze the fossil record and quantitatively determine the amount of vertical land movement associated with the 1700AD earthquake event. To date, we have collected 7 modern transects totaling 132 samples from the intertidal zone to the upland. We have also collected 9 cores recording the 1700AD earthquake. Furthermore, a 4m vibracore was collected and contains between 3 and 5 potential earthquake horizons. The 1700AD earthquake in the vibracore shows a distinct litho- and biostratigraphical change representing an instantaneous episode of subsidence of approximately 1m. However, development and application of the transfer function to such events will provide quantitative constrained estimates of coseismic land movement. Measurements that are more accurate are necessary to help modelers develop simulations that are more realistic in order to better assess earthquake and tsunami hazards. This will enable efficient and effective mitigation planning and preparation to minimize the personal and economic costs associated with such hazards.

Implementation of a Transition Model in a NASA Code and Validation Using Heat Transfer Data on a Turbine Blade

NASA Technical Reports Server (NTRS)

Ameri, Ali A.

2012-01-01

The purpose of this report is to summarize and document the work done to enable a NASA CFD code to model laminar-turbulent transition process on an isolated turbine blade. The ultimate purpose of the present work is to down-select a transition model that would allow the flow simulation of a variable speed power turbine to be accurately performed. The flow modeling in its final form will account for the blade row interactions and their effects on transition which would lead to accurate accounting for losses. The present work only concerns itself with steady flows of variable inlet turbulence. The low Reynolds number k- model of Wilcox and a modified version of the same model will be used for modeling of transition on experimentally measured blade pressure and heat transfer. It will be shown that the k- model and its modified variant fail to simulate the transition with any degree of accuracy. A case is thus made for the adoption of more accurate transition models. Three-equation models based on the work of Mayle on Laminar Kinetic Energy were explored. The three-equation model of Walters and Leylek was thought to be in a relatively mature state of development and was implemented in the Glenn-HT code. Two-dimensional heat transfer predictions of flat plate flow and two-dimensional and three-dimensional heat transfer predictions on a turbine blade were performed and reported herein. Surface heat transfer rate serves as sensitive indicator of transition. With the newly implemented model, it was shown that the simulation of transition process is much improved over the baseline k- model for the single Reynolds number and pressure ratio attempted; while agreement with heat transfer data became more satisfactory. Armed with the new transition model, total-pressure losses of computed three-dimensional flow of E3 tip section cascade were compared to the experimental data for a range of incidence angles. The results obtained, form a partial loss bucket for the chosen blade. In time the loss bucket will be populated with losses at additional incidences. Results obtained thus far will be discussed herein.

Consistent Parameter and Transfer Function Estimation using Context Free Grammars

NASA Astrophysics Data System (ADS)

Klotz, Daniel; Herrnegger, Mathew; Schulz, Karsten

2017-04-01

This contribution presents a method for the inference of transfer functions for rainfall-runoff models. Here, transfer functions are defined as parametrized (functional) relationships between a set of spatial predictors (e.g. elevation, slope or soil texture) and model parameters. They are ultimately used for estimation of consistent, spatially distributed model parameters from a limited amount of lumped global parameters. Additionally, they provide a straightforward method for parameter extrapolation from one set of basins to another and can even be used to derive parameterizations for multi-scale models [see: Samaniego et al., 2010]. Yet, currently an actual knowledge of the transfer functions is often implicitly assumed. As a matter of fact, for most cases these hypothesized transfer functions can rarely be measured and often remain unknown. Therefore, this contribution presents a general method for the concurrent estimation of the structure of transfer functions and their respective (global) parameters. Note, that by consequence an estimation of the distributed parameters of the rainfall-runoff model is also undertaken. The method combines two steps to achieve this. The first generates different possible transfer functions. The second then estimates the respective global transfer function parameters. The structural estimation of the transfer functions is based on the context free grammar concept. Chomsky first introduced context free grammars in linguistics [Chomsky, 1956]. Since then, they have been widely applied in computer science. But, to the knowledge of the authors, they have so far not been used in hydrology. Therefore, the contribution gives an introduction to context free grammars and shows how they can be constructed and used for the structural inference of transfer functions. This is enabled by new methods from evolutionary computation, such as grammatical evolution [O'Neill, 2001], which make it possible to exploit the constructed grammar as a search space for equations. The parametrization of the transfer functions is then achieved through a second optimization routine. The contribution explores different aspects of the described procedure through a set of experiments. These experiments can be divided into three categories: (1) The inference of transfer functions from directly measurable parameters; (2) The estimation of global parameters for given transfer functions from runoff data; and (3) The estimation of sets of completely unknown transfer functions from runoff data. The conducted tests reveal different potentials and limits of the procedure. In concrete it is shown that example (1) and (2) work remarkably well. Example (3) is much more dependent on the setup. In general, it can be said that in that case much more data is needed to derive transfer function estimations, even for simple models and setups. References: - Chomsky, N. (1956): Three Models for the Description of Language. IT IRETr. 2(3), p 113-124 - O'Neil, M. (2001): Grammatical Evolution. IEEE ToEC, Vol.5, No. 4 - Samaniego, L.; Kumar, R.; Attinger, S. (2010): Multiscale parameter regionalization of a grid-based hydrologic model at the mesoscale. WWR, Vol. 46, W05523, doi:10.1029/2008WR007327

Artificial Neural Network with Hardware Training and Hardware Refresh

NASA Technical Reports Server (NTRS)

Duong, Tuan A. (Inventor)

2003-01-01

A neural network circuit is provided having a plurality of circuits capable of charge storage. Also provided is a plurality of circuits each coupled to at least one of the plurality of charge storage circuits and constructed to generate an output in accordance with a neuron transfer function. Each of a plurality of circuits is coupled to one of the plurality of neuron transfer function circuits and constructed to generate a derivative of the output. A weight update circuit updates the charge storage circuits based upon output from the plurality of transfer function circuits and output from the plurality of derivative circuits. In preferred embodiments, separate training and validation networks share the same set of charge storage circuits and may operate concurrently. The validation network has a separate transfer function circuits each being coupled to the charge storage circuits so as to replicate the training network s coupling of the plurality of charge storage to the plurality of transfer function circuits. The plurality of transfer function circuits may be constructed each having a transconductance amplifier providing differential currents combined to provide an output in accordance with a transfer function. The derivative circuits may have a circuit constructed to generate a biased differential currents combined so as to provide the derivative of the transfer function.

Dynamics of Coupled Electron-Boson Systems with the Multiple Davydov D1 Ansatz and the Generalized Coherent State.

PubMed

Chen, Lipeng; Borrelli, Raffaele; Zhao, Yang

2017-11-22

The dynamics of a coupled electron-boson system is investigated by employing a multitude of the Davydov D 1 trial states, also known as the multi-D 1 Ansatz, and a second trial state based on a superposition of the time-dependent generalized coherent state (GCS Ansatz). The two Ansätze are applied to study population dynamics in the spin-boson model and the Holstein molecular crystal model, and a detailed comparison with numerically exact results obtained by the (multilayer) multiconfiguration time-dependent Hartree method and the hierarchy equations of motion approach is drawn. It is found that the two methodologies proposed here have significantly improved over that with the single D 1 Ansatz, yielding quantitatively accurate results even in the critical cases of large energy biases and large transfer integrals. The two methodologies provide new effective tools for accurate, efficient simulation of many-body quantum dynamics thanks to a relatively small number of parameters which characterize the electron-nuclear wave functions. The wave-function-based approaches are capable of tracking explicitly detailed bosonic dynamics, which is absent by construct in approaches based on the reduced density matrix. The efficiency and flexibility of our methods are also advantages as compared with numerically exact approaches such as QUAPI and HEOM, especially at low temperatures and in the strong coupling regime.

Diagrams for comprehensive molecular orbital-based chemical reaction analyses: reactive orbital energy diagrams.

PubMed

Tsuneda, Takao; Singh, Raman Kumar; Chattaraj, Pratim Kumar

2018-05-15

Reactive orbital energy diagrams are presented as a tool for comprehensively performing orbital-based reaction analyses. The diagrams rest on the reactive orbital energy theory, which is the expansion of conceptual density functional theory (DFT) to an orbital energy-based theory. The orbital energies on the intrinsic reaction coordinates of fundamental reactions are calculated by long-range corrected DFT, which is confirmed to provide accurate orbital energies of small molecules, combining with a van der Waals (vdW) correlation functional, in order to examine the vdW effect on the orbital energies. By analysing the reactions based on the reactive orbital energy theory using these accurate orbital energies, it is found that vdW interactions significantly affect the orbital energies in the initial reaction processes and that more than 70% of reactions are determined to be initially driven by charge transfer, while the remaining structural deformation (dynamics)-driven reactions are classified into identity, cyclization and ring-opening, unimolecular dissociation, and H2 reactions. The reactive orbital energy diagrams, which are constructed using these results, reveal that reactions progress so as to delocalize the occupied reactive orbitals, which are determined as contributing orbitals and are usually not HOMOs, by hybridizing the unoccupied reactive orbitals, which are usually not LUMOs. These diagrams also raise questions about conventional orbital-based diagrams such as frontier molecular orbital diagrams, even for the well-established interpretation of Diels-Alder reactions.

Accurate and cost-effective MTF measurement system for lens modules of digital cameras

NASA Astrophysics Data System (ADS)

Chang, Gao-Wei; Liao, Chia-Cheng; Yeh, Zong-Mu

2007-01-01

For many years, the widening use of digital imaging products, e.g., digital cameras, has given rise to much attention in the market of consumer electronics. However, it is important to measure and enhance the imaging performance of the digital ones, compared to that of conventional cameras (with photographic films). For example, the effect of diffraction arising from the miniaturization of the optical modules tends to decrease the image resolution. As a figure of merit, modulation transfer function (MTF) has been broadly employed to estimate the image quality. Therefore, the objective of this paper is to design and implement an accurate and cost-effective MTF measurement system for the digital camera. Once the MTF of the sensor array is provided, that of the optical module can be then obtained. In this approach, a spatial light modulator (SLM) is employed to modulate the spatial frequency of light emitted from the light-source. The modulated light going through the camera under test is consecutively detected by the sensors. The corresponding images formed from the camera are acquired by a computer and then, they are processed by an algorithm for computing the MTF. Finally, through the investigation on the measurement accuracy from various methods, such as from bar-target and spread-function methods, it appears that our approach gives quite satisfactory results.

The performance and relationship among range-separated schemes for density functional theory

NASA Astrophysics Data System (ADS)

Nguyen, Kiet A.; Day, Paul N.; Pachter, Ruth

2011-08-01

The performance and relationship among different range-separated (RS) hybrid functional schemes are examined using the Coulomb-attenuating method (CAM) with different values for the fractions of exact Hartree-Fock (HF) exchange (α), long-range HF (β), and a range-separation parameter (μ), where the cases of α + β = 1 and α + β = 0 were designated as CA and CA0, respectively. Attenuated PBE exchange-correlation functionals with α = 0.20 and μ = 0.20 (CA-PBE) and α = 0.25 and μ = 0.11 (CA0-PBE) are closely related to the LRC-ωPBEh and HSE functionals, respectively. Time-dependent density functional theory calculations were carried out for a number of classes of molecules with varying degrees of charge-transfer (CT) character to provide an assessment of the accuracy of excitation energies from the CA functionals and a number of other functionals with different exchange hole models. Functionals that provided reasonable estimates for local and short-range CT transitions were found to give large errors for long-range CT excitations. In contrast, functionals that afforded accurate long-range CT excitation energies significantly overestimated energies for short-range CT and local transitions. The effects of exchange hole models and parameters developed for RS functionals for CT excitations were analyzed in detail. The comparative analysis across compound classes provides a useful benchmark for CT excitations.

Identification of boiler inlet transfer functions and estimation of system parameters

NASA Technical Reports Server (NTRS)

Miles, J. H.

1972-01-01

An iterative computer method is described for identifying boiler transfer functions using frequency response data. An objective penalized performance measure and a nonlinear minimization technique are used to cause the locus of points generated by a transfer function to resemble the locus of points obtained from frequency response measurements. Different transfer functions can be tried until a satisfactory empirical transfer function of the system is found. To illustrate the method, some examples and some results from a study of a set of data consisting of measurements of the inlet impedance of a single tube forced flow boiler with inserts are given.

SMRT: A new, modular snow microwave radiative transfer model

NASA Astrophysics Data System (ADS)

Picard, Ghislain; Sandells, Melody; Löwe, Henning; Dumont, Marie; Essery, Richard; Floury, Nicolas; Kontu, Anna; Lemmetyinen, Juha; Maslanka, William; Mätzler, Christian; Morin, Samuel; Wiesmann, Andreas

2017-04-01

Forward models of radiative transfer processes are needed to interpret remote sensing data and derive measurements of snow properties such as snow mass. A key requirement and challenge for microwave emission and scattering models is an accurate description of the snow microstructure. The snow microwave radiative transfer model (SMRT) was designed to cater for potential future active and/or passive satellite missions and developed to improve understanding of how to parameterize snow microstructure. SMRT is implemented in Python and is modular to allow easy intercomparison of different theoretical approaches. Separate modules are included for the snow microstructure model, electromagnetic module, radiative transfer solver, substrate, interface reflectivities, atmosphere and permittivities. An object-oriented approach is used with carefully specified exchanges between modules to allow future extensibility i.e. without constraining the parameter list requirements. This presentation illustrates the capabilities of SMRT. At present, five different snow microstructure models have been implemented, and direct insertion of the autocorrelation function from microtomography data is also foreseen with SMRT. Three electromagnetic modules are currently available. While DMRT-QCA and Rayleigh models need specific microstructure models, the Improved Born Approximation may be used with any microstructure representation. A discrete ordinates approach with stream connection is used to solve the radiative transfer equations, although future inclusion of 6-flux and 2-flux solvers are envisioned. Wrappers have been included to allow existing microwave emission models (MEMLS, HUT, DMRT-QMS) to be run with the same inputs and minimal extra code (2 lines). Comparisons between theoretical approaches will be shown, and evaluation against field experiments in the frequency range 5-150 GHz. SMRT is simple and elegant to use whilst providing a framework for future development within the community.

The Complicated Facial War Injury: Pitfalls and Mismanagement.

PubMed

Abu-Sittah, Ghassan S; Baroud, Joe; Hakim, Christopher; Wakil, Cynthia

2017-01-01

The aim of this paper is to share the authors' experience in the management of complicated facial war injuries using free tissue transfer. A discussion on the most commonly encountered pitfalls in management during the acute and complicated settings is presented in an effort to raise insight on facial war wound complications. Two patients of complicated facial war injuries are presented to exemplify the pitfalls in acute and chronic management of the mandibular region in the first patient and the orbito-maxillary region in the second. The examples demonstrate free tissue transfer for early as well as late definitive reconstructions. A reconstruction algorithm or consensus regarding the optimal management plan of complicated facial war injuries is not attainable. The main principles of treatment, however, remain to decrease bacterial burden by adequate aggressive debridement followed by revisit sessions, remove of all infected hardware followed by replacement with external bony fixation if necessary and reviving the affected area by coverage with well-vascularized tissues and bone. The later is feasible via local, regional, or distant tissue transfer depending on the extent of injury, surgeon's experience, and time and personnel available. Free tissue transfer has revolutionized the management of complicated facial war injuries associated with soft tissue or bone loss as it has allowed the introduction of well-vascularized tissues into a hostile wound environment. The end result is a reduced infection rate, faster recovery time, and better functional outcome compared with when loco-regional soft tissue coverage or bone grafting is used. When soft tissue or bone loss is present, free tissue transfer should be the first management plan if time and personnel are available. The ultimate treatment of a complicated war wound remains prevention by accurate initial management.

Evaluation of UDP-GlcN derivatives for selective labeling of 5-(hydroxymethyl)cytosine.

PubMed

Dai, Nan; Bitinaite, Jurate; Chin, Hang-Gyeong; Pradhan, Sriharsa; Corrêa, Ivan R

2013-11-04

5-(hydroxymethyl)cytosine (5-hmC) is a newly identified oxidative product of 5-methylcytosine (5-mC) in the mammalian genome, and is believed to be an important epigenetic marker influencing a variety of biological processes. In addition to its relatively low abundance, the fluctuation of 5-hmC levels over time during cell development poses a formidable challenge for its accurate mapping and quantification. Here we describe a specific chemoenzymatic approach to 5-hmC detection in DNA samples by using new uridine 5'-diphosphoglucosamine (UDP-GlcN) probes. Our approach requires modification of the glucose moiety of UDP-Glc with small amino groups and transfer of these glucose derivatives to the hydroxy moiety of 5-hmC by using T4 phage glucosyltransferases. We evaluated the transfer efficiencies of three glucosyltransferases (wild-type α- and β-GTs and a Y261L mutant β-GT) with five different UDP-Glc derivatives containing functionalized groups for subsequent bioconjugation and detection. Our results indicate that UDP-6-N3 -Glc, UDP-6-GlcN, and UDP-2-GlcN can be transferred by β-GT with efficiencies similar to that seen with the native UDP-Glc cofactor. 6-N3 -Glc- and 6-GlcN-containing oligonucleotides were selectively labeled with reactive fluorescent probes. In addition, a 2 kb DNA fragment modified with 2-GlcN groups was specifically detected by use of a commercially available antiglucosamine antibody. Alternative substrates for β-GT and correlated glycosyltransferases might prove useful for the study of the function and dynamics of 5-hmC and other modified nucleotides, as well as for multiplex analysis. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chebyshev collocation spectral method for one-dimensional radiative heat transfer in linearly anisotropic-scattering cylindrical medium

NASA Astrophysics Data System (ADS)

Zhou, Rui-Rui; Li, Ben-Wen

2017-03-01

In this study, the Chebyshev collocation spectral method (CCSM) is developed to solve the radiative integro-differential transfer equation (RIDTE) for one-dimensional absorbing, emitting and linearly anisotropic-scattering cylindrical medium. The general form of quadrature formulas for Chebyshev collocation points is deduced. These formulas are proved to have the same accuracy as the Gauss-Legendre quadrature formula (GLQF) for the F-function (geometric function) in the RIDTE. The explicit expressions of the Lagrange basis polynomials and the differentiation matrices for Chebyshev collocation points are also given. These expressions are necessary for solving an integro-differential equation by the CCSM. Since the integrand in the RIDTE is continuous but non-smooth, it is treated by the segments integration method (SIM). The derivative terms in the RIDTE are carried out to improve the accuracy near the origin. In this way, a fourth order accuracy is achieved by the CCSM for the RIDTE, whereas it's only a second order one by the finite difference method (FDM). Several benchmark problems (BPs) with various combinations of optical thickness, medium temperature distribution, degree of anisotropy, and scattering albedo are solved. The results show that present CCSM is efficient to obtain high accurate results, especially for the optically thin medium. The solutions rounded to seven significant digits are given in tabular form, and show excellent agreement with the published data. Finally, the solutions of RIDTE are used as benchmarks for the solution of radiative integral transfer equations (RITEs) presented by Sutton and Chen (JQSRT 84 (2004) 65-103). A non-uniform grid refined near the wall is advised to improve the accuracy of RITEs solutions.

Model-Free Reconstruction of Excitatory Neuronal Connectivity from Calcium Imaging Signals

PubMed Central

Stetter, Olav; Battaglia, Demian; Soriano, Jordi; Geisel, Theo

2012-01-01

A systematic assessment of global neural network connectivity through direct electrophysiological assays has remained technically infeasible, even in simpler systems like dissociated neuronal cultures. We introduce an improved algorithmic approach based on Transfer Entropy to reconstruct structural connectivity from network activity monitored through calcium imaging. We focus in this study on the inference of excitatory synaptic links. Based on information theory, our method requires no prior assumptions on the statistics of neuronal firing and neuronal connections. The performance of our algorithm is benchmarked on surrogate time series of calcium fluorescence generated by the simulated dynamics of a network with known ground-truth topology. We find that the functional network topology revealed by Transfer Entropy depends qualitatively on the time-dependent dynamic state of the network (bursting or non-bursting). Thus by conditioning with respect to the global mean activity, we improve the performance of our method. This allows us to focus the analysis to specific dynamical regimes of the network in which the inferred functional connectivity is shaped by monosynaptic excitatory connections, rather than by collective synchrony. Our method can discriminate between actual causal influences between neurons and spurious non-causal correlations due to light scattering artifacts, which inherently affect the quality of fluorescence imaging. Compared to other reconstruction strategies such as cross-correlation or Granger Causality methods, our method based on improved Transfer Entropy is remarkably more accurate. In particular, it provides a good estimation of the excitatory network clustering coefficient, allowing for discrimination between weakly and strongly clustered topologies. Finally, we demonstrate the applicability of our method to analyses of real recordings of in vitro disinhibited cortical cultures where we suggest that excitatory connections are characterized by an elevated level of clustering compared to a random graph (although not extreme) and can be markedly non-local. PMID:22927808

Accurate Treatment of Collisions and Water-Delivery in Models of Terrestrial Planet Formation

NASA Astrophysics Data System (ADS)

Haghighipour, Nader; Maindl, Thomas; Schaefer, Christoph

2017-10-01

It is widely accepted that collisions among solid bodies, ignited by their interactions with planetary embryos is the key process in the formation of terrestrial planets and transport of volatiles and chemical compounds to their accretion zones. Unfortunately, due to computational complexities, these collisions are often treated in a rudimentary way. Impacts are considered to be perfectly inelastic and volatiles are considered to be fully transferred from one object to the other. This perfect-merging assumption has profound effects on the mass and composition of final planetary bodies as it grossly overestimates the masses of these objects and the amounts of volatiles and chemical elements transferred to them. It also entirely neglects collisional-loss of volatiles (e.g., water) and draws an unrealistic connection between these properties and the chemical structure of the protoplanetary disk (i.e., the location of their original carriers). We have developed a new and comprehensive methodology to simulate growth of embryos to planetary bodies where we use a combination of SPH and N-body codes to accurately model collisions as well as the transport/transfer of chemical compounds. Our methodology accounts for the loss of volatiles (e.g., ice sublimation) during the orbital evolution of their careers and accurately tracks their transfer from one body to another. Results of our simulations show that traditional N-body modeling of terrestrial planet formation overestimates the amount of the mass and water contents of the final planets by over 60% implying that not only the amount of water they suggest is far from being realistic, small planets such as Mars can also form in these simulations when collisions are treated properly. We will present details of our methodology and discuss its implications for terrestrial planet formation and water delivery to Earth.

Characterizing the impact of model error in hydrologic time series recovery inverse problems

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

Hansen, Scott K.; He, Jiachuan; Vesselinov, Velimir V.

Hydrologic models are commonly over-smoothed relative to reality, owing to computational limitations and to the difficulty of obtaining accurate high-resolution information. When used in an inversion context, such models may introduce systematic biases which cannot be encapsulated by an unbiased “observation noise” term of the type assumed by standard regularization theory and typical Bayesian formulations. Despite its importance, model error is difficult to encapsulate systematically and is often neglected. In this paper, model error is considered for an important class of inverse problems that includes interpretation of hydraulic transients and contaminant source history inference: reconstruction of a time series thatmore » has been convolved against a transfer function (i.e., impulse response) that is only approximately known. Using established harmonic theory along with two results established here regarding triangular Toeplitz matrices, upper and lower error bounds are derived for the effect of systematic model error on time series recovery for both well-determined and over-determined inverse problems. It is seen that use of additional measurement locations does not improve expected performance in the face of model error. A Monte Carlo study of a realistic hydraulic reconstruction problem is presented, and the lower error bound is seen informative about expected behavior. Finally, a possible diagnostic criterion for blind transfer function characterization is also uncovered.« less

Advanced Machine Learning Emulators of Radiative Transfer Models

NASA Astrophysics Data System (ADS)

Camps-Valls, G.; Verrelst, J.; Martino, L.; Vicent, J.

2017-12-01

Physically-based model inversion methodologies are based on physical laws and established cause-effect relationships. A plethora of remote sensing applications rely on the physical inversion of a Radiative Transfer Model (RTM), which lead to physically meaningful bio-geo-physical parameter estimates. The process is however computationally expensive, needs expert knowledge for both the selection of the RTM, its parametrization and the the look-up table generation, as well as its inversion. Mimicking complex codes with statistical nonlinear machine learning algorithms has become the natural alternative very recently. Emulators are statistical constructs able to approximate the RTM, although at a fraction of the computational cost, providing an estimation of uncertainty, and estimations of the gradient or finite integral forms. We review the field and recent advances of emulation of RTMs with machine learning models. We posit Gaussian processes (GPs) as the proper framework to tackle the problem. Furthermore, we introduce an automatic methodology to construct emulators for costly RTMs. The Automatic Gaussian Process Emulator (AGAPE) methodology combines the interpolation capabilities of GPs with the accurate design of an acquisition function that favours sampling in low density regions and flatness of the interpolation function. We illustrate the good capabilities of our emulators in toy examples, leaf and canopy levels PROSPECT and PROSAIL RTMs, and for the construction of an optimal look-up-table for atmospheric correction based on MODTRAN5.

Characterizing the impact of model error in hydrologic time series recovery inverse problems

DOE PAGES

Hansen, Scott K.; He, Jiachuan; Vesselinov, Velimir V.

2017-10-28

Hydrologic models are commonly over-smoothed relative to reality, owing to computational limitations and to the difficulty of obtaining accurate high-resolution information. When used in an inversion context, such models may introduce systematic biases which cannot be encapsulated by an unbiased “observation noise” term of the type assumed by standard regularization theory and typical Bayesian formulations. Despite its importance, model error is difficult to encapsulate systematically and is often neglected. In this paper, model error is considered for an important class of inverse problems that includes interpretation of hydraulic transients and contaminant source history inference: reconstruction of a time series thatmore » has been convolved against a transfer function (i.e., impulse response) that is only approximately known. Using established harmonic theory along with two results established here regarding triangular Toeplitz matrices, upper and lower error bounds are derived for the effect of systematic model error on time series recovery for both well-determined and over-determined inverse problems. It is seen that use of additional measurement locations does not improve expected performance in the face of model error. A Monte Carlo study of a realistic hydraulic reconstruction problem is presented, and the lower error bound is seen informative about expected behavior. Finally, a possible diagnostic criterion for blind transfer function characterization is also uncovered.« less

Between-centre variability in transfer function analysis, a widely used method for linear quantification of the dynamic pressure–flow relation: The CARNet study

PubMed Central

Meel-van den Abeelen, Aisha S.S.; Simpson, David M.; Wang, Lotte J.Y.; Slump, Cornelis H.; Zhang, Rong; Tarumi, Takashi; Rickards, Caroline A.; Payne, Stephen; Mitsis, Georgios D.; Kostoglou, Kyriaki; Marmarelis, Vasilis; Shin, Dae; Tzeng, Yu-Chieh; Ainslie, Philip N.; Gommer, Erik; Müller, Martin; Dorado, Alexander C.; Smielewski, Peter; Yelicich, Bernardo; Puppo, Corina; Liu, Xiuyun; Czosnyka, Marek; Wang, Cheng-Yen; Novak, Vera; Panerai, Ronney B.; Claassen, Jurgen A.H.R.

2014-01-01

Transfer function analysis (TFA) is a frequently used method to assess dynamic cerebral autoregulation (CA) using spontaneous oscillations in blood pressure (BP) and cerebral blood flow velocity (CBFV). However, controversies and variations exist in how research groups utilise TFA, causing high variability in interpretation. The objective of this study was to evaluate between-centre variability in TFA outcome metrics. 15 centres analysed the same 70 BP and CBFV datasets from healthy subjects (n = 50 rest; n = 20 during hypercapnia); 10 additional datasets were computer-generated. Each centre used their in-house TFA methods; however, certain parameters were specified to reduce a priori between-centre variability. Hypercapnia was used to assess discriminatory performance and synthetic data to evaluate effects of parameter settings. Results were analysed using the Mann–Whitney test and logistic regression. A large non-homogeneous variation was found in TFA outcome metrics between the centres. Logistic regression demonstrated that 11 centres were able to distinguish between normal and impaired CA with an AUC > 0.85. Further analysis identified TFA settings that are associated with large variation in outcome measures. These results indicate the need for standardisation of TFA settings in order to reduce between-centre variability and to allow accurate comparison between studies. Suggestions on optimal signal processing methods are proposed. PMID:24725709

Problems in Bilingual Lexicography: Romance and English

ERIC Educational Resources Information Center

Wiezell, Richard John

1975-01-01

A bilingual dictionary must be more accurate in definitions than a monolingual. This paper touches on problems of transference between languages, linguistic "cannibalism," and lexical versus connotative meaning. (CK)

Two-dimensional radiative transfer. I - Planar geometry. [in stellar atmospheres

NASA Technical Reports Server (NTRS)

Mihalas, D.; Auer, L. H.; Mihalas, B. R.

1978-01-01

Differential-equation methods for solving the transfer equation in two-dimensional planar geometries are developed. One method, which uses a Hermitian integration formula on ray segments through grid points, proves to be extremely well suited to velocity-dependent problems. An efficient elimination scheme is developed for which the computing time scales linearly with the number of angles and frequencies; problems with large velocity amplitudes can thus be treated accurately. A very accurate and efficient method for performing a formal solution is also presented. A discussion is given of several examples of periodic media and free-standing slabs, both in static cases and with velocity fields. For the free-standing slabs, two-dimensional transport effects are significant near boundaries, but no important effects were found in any of the periodic cases studied.

Computer method for identification of boiler transfer functions

NASA Technical Reports Server (NTRS)

Miles, J. H.

1972-01-01

Iterative computer aided procedure was developed which provides for identification of boiler transfer functions using frequency response data. Method uses frequency response data to obtain satisfactory transfer function for both high and low vapor exit quality data.

Proceedings and findings of the 1976 Workshop on Ride Quality. [passenger acceptance of transportation systems

NASA Technical Reports Server (NTRS)

Kuhlthau, A. R. (Editor)

1976-01-01

The workshop was organized around the study of the three basic transfer functions required to evaluate and/or predict passenger acceptance of transportation systems: These are the vehicle, passenger, and value transfer functions. For the purpose of establishing working groups corresponding to the basic transfer functions, it was decided to split the vehicle transfer function into two distinct groups studying surface vehicles and air/marine vehicles, respectively.

Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion Hydration.

PubMed

Soniat, Marielle; Rogers, David M; Rempe, Susan B

2015-07-14

A challenge in density functional theory is developing functionals that simultaneously describe intermolecular electron correlation and electron delocalization. Recent exchange-correlation functionals address those two issues by adding corrections important at long ranges: an atom-centered pairwise dispersion term to account for correlation and a modified long-range component of the electron exchange term to correct for delocalization. Here we investigate how those corrections influence the accuracy of binding free energy predictions for sodium-water clusters. We find that the dual-corrected ωB97X-D functional gives cluster binding energies closest to high-level ab initio methods (CCSD(T)). Binding energy decomposition shows that the ωB97X-D functional predicts the smallest ion-water (pairwise) interaction energy and larger multibody contributions for a four-water cluster than most other functionals - a trend consistent with CCSD(T) results. Also, ωB97X-D produces the smallest amounts of charge transfer and the least polarizable waters of the density functionals studied, which mimics the lower polarizability of CCSD. When compared with experimental binding free energies, however, the exchange-corrected CAM-B3LYP functional performs best (error <1 kcal/mol), possibly because of its parametrization to experimental formation enthalpies. For clusters containing more than four waters, "split-shell" coordination must be considered to obtain accurate free energies in comparison with experiment.

Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: Dispersion, induction, and basis set superposition error

NASA Astrophysics Data System (ADS)

Roy, Dipankar; Marianski, Mateusz; Maitra, Neepa T.; Dannenberg, J. J.

2012-10-01

We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show that the functionals do not generally follow the expected trends in interaction energies, basis set superposition errors (BSSE), and interaction distances as a function of basis set size. The functionals parameterized to treat dispersion interactions often overestimate these interactions, sometimes by quite a lot, when compared to higher level calculations. Which functionals work best depends upon the examples chosen. The B3LYP and X3LYP functionals, which do not describe pure dispersion interactions, appear to describe dispersion mixed with induction about as accurately as those parametrized to treat dispersion. We observed significant differences in high-level wavefunction calculations in a basis set larger than those used to generate the structures in many of the databases. We discuss the implications for highly parameterized functionals based on these databases, as well as the use of simple potential energy for fitting the parameters rather than experimentally determinable thermodynamic state functions that involve consideration of vibrational states.

Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: dispersion, induction, and basis set superposition error.

PubMed

Roy, Dipankar; Marianski, Mateusz; Maitra, Neepa T; Dannenberg, J J

2012-10-07

We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show that the functionals do not generally follow the expected trends in interaction energies, basis set superposition errors (BSSE), and interaction distances as a function of basis set size. The functionals parameterized to treat dispersion interactions often overestimate these interactions, sometimes by quite a lot, when compared to higher level calculations. Which functionals work best depends upon the examples chosen. The B3LYP and X3LYP functionals, which do not describe pure dispersion interactions, appear to describe dispersion mixed with induction about as accurately as those parametrized to treat dispersion. We observed significant differences in high-level wavefunction calculations in a basis set larger than those used to generate the structures in many of the databases. We discuss the implications for highly parameterized functionals based on these databases, as well as the use of simple potential energy for fitting the parameters rather than experimentally determinable thermodynamic state functions that involve consideration of vibrational states.

Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: Dispersion, induction, and basis set superposition error

PubMed Central

Roy, Dipankar; Marianski, Mateusz; Maitra, Neepa T.; Dannenberg, J. J.

2012-01-01

We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show that the functionals do not generally follow the expected trends in interaction energies, basis set superposition errors (BSSE), and interaction distances as a function of basis set size. The functionals parameterized to treat dispersion interactions often overestimate these interactions, sometimes by quite a lot, when compared to higher level calculations. Which functionals work best depends upon the examples chosen. The B3LYP and X3LYP functionals, which do not describe pure dispersion interactions, appear to describe dispersion mixed with induction about as accurately as those parametrized to treat dispersion. We observed significant differences in high-level wavefunction calculations in a basis set larger than those used to generate the structures in many of the databases. We discuss the implications for highly parameterized functionals based on these databases, as well as the use of simple potential energy for fitting the parameters rather than experimentally determinable thermodynamic state functions that involve consideration of vibrational states. PMID:23039587

5 CFR 351.302 - Transfer of employees.

Code of Federal Regulations, 2011 CFR

2011-01-01

... is not identified with an operating function specifically authorized at the time of transfer to... 5 Administrative Personnel 1 2011-01-01 2011-01-01 false Transfer of employees. 351.302 Section... FORCE Transfer of Function § 351.302 Transfer of employees. (a) Before a reduction in force is made in...

5 CFR 351.302 - Transfer of employees.

Code of Federal Regulations, 2010 CFR

2010-01-01

... is not identified with an operating function specifically authorized at the time of transfer to... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Transfer of employees. 351.302 Section... FORCE Transfer of Function § 351.302 Transfer of employees. (a) Before a reduction in force is made in...

5 CFR 351.302 - Transfer of employees.

Code of Federal Regulations, 2012 CFR

2012-01-01

... is not identified with an operating function specifically authorized at the time of transfer to... 5 Administrative Personnel 1 2012-01-01 2012-01-01 false Transfer of employees. 351.302 Section... FORCE Transfer of Function § 351.302 Transfer of employees. (a) Before a reduction in force is made in...

5 CFR 351.302 - Transfer of employees.

Code of Federal Regulations, 2014 CFR

2014-01-01

... is not identified with an operating function specifically authorized at the time of transfer to... 5 Administrative Personnel 1 2014-01-01 2014-01-01 false Transfer of employees. 351.302 Section... FORCE Transfer of Function § 351.302 Transfer of employees. (a) Before a reduction in force is made in...

5 CFR 351.302 - Transfer of employees.

Code of Federal Regulations, 2013 CFR

2013-01-01

... is not identified with an operating function specifically authorized at the time of transfer to... 5 Administrative Personnel 1 2013-01-01 2013-01-01 false Transfer of employees. 351.302 Section... FORCE Transfer of Function § 351.302 Transfer of employees. (a) Before a reduction in force is made in...

Patient-specific distal radius locking plate for fixation and accurate 3D positioning in corrective osteotomy.

PubMed

Dobbe, J G G; Vroemen, J C; Strackee, S D; Streekstra, G J

2014-11-01

Preoperative three-dimensional planning methods have been described extensively. However, transferring the virtual plan to the patient is often challenging. In this report, we describe the management of a severely malunited distal radius fracture using a patient-specific plate for accurate spatial positioning and fixation. Twenty months postoperatively the patient shows almost painless reconstruction and a nearly normal range of motion.

Dual agonist occupancy of AT1-R–α2C-AR heterodimers results in atypical Gs-PKA signaling

PubMed Central

Bellot, Morgane; Galandrin, Ségolène; Boularan, Cédric; Matthies, Heinrich J; Despas, Fabien; Denis, Colette; Javitch, Jonathan; Mazères, Serge; Sanni, Samra Joke; Pons, Véronique; Seguelas, Marie-Hélène; Hansen, Jakob L; Pathak, Atul; Galli, Aurelio; Sénard, Jean-Michel; Galés, Céline

2015-01-01

Hypersecretion of norepinephrine (NE) and angiotensin II (AngII) is a hallmark of major prevalent cardiovascular diseases that contribute to cardiac pathophysiology and morbidity. Herein, we explore whether heterodimerization of presynaptic AngII AT1 receptor (AT1-R) and NE α2C-adrenergic receptor (α2C-AR) could underlie their functional cross-talk to control NE secretion. Multiple bioluminescence resonance energy transfer and protein complementation assays allowed us to accurately probe the structures and functions of the α2C-AR–AT1-R dimer promoted by ligand binding to individual protomers. We found that dual agonist occupancy resulted in a conformation of the heterodimer different from that induced by active individual protomers and triggered atypical Gs-cAMP–PKA signaling. This specific pharmacological signaling unit was identified in vivo to promote not only NE hypersecretion in sympathetic neurons but also sympathetic hyperactivity in mice. Thus, we uncovered a new process by which GPCR heterodimerization creates an original functional pharmacological entity and that could constitute a promising new target in cardiovascular therapeutics. PMID:25706338

Mapping forest functional type in a forest-shrubland ecotone using SPOT imagery and predictive habitat distribution modelling

USGS Publications Warehouse

Assal, Timothy J.; Anderson, Patrick J.; Sibold, Jason

2015-01-01

The availability of land cover data at local scales is an important component in forest management and monitoring efforts. Regional land cover data seldom provide detailed information needed to support local management needs. Here we present a transferable framework to model forest cover by major plant functional type using aerial photos, multi-date Système Pour l’Observation de la Terre (SPOT) imagery, and topographic variables. We developed probability of occurrence models for deciduous broad-leaved forest and needle-leaved evergreen forest using logistic regression in the southern portion of the Wyoming Basin Ecoregion. The model outputs were combined into a synthesis map depicting deciduous and coniferous forest cover type. We evaluated the models and synthesis map using a field-validated, independent data source. Results showed strong relationships between forest cover and model variables, and the synthesis map was accurate with an overall correct classification rate of 0.87 and Cohen’s kappa value of 0.81. The results suggest our method adequately captures the functional type, size, and distribution pattern of forest cover in a spatially heterogeneous landscape.

Simulating Ru L3-edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers

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

Van Kuiken, Benjamin E.; Valiev, Marat; Daifuku, Stephanie L.

2013-05-01

Ruthenium L2,3-edge X-ray absorption (XA) spectroscopy probes transitions from core 2p orbitals to the 4d levels of the atom and is a powerful tool for interrogating the local electronic and molecular structure around the metal atom. However, a molecular-level interpretation of the Ru L2,3-edge spectral lineshapes is often complicated by spin–orbit coupling (SOC) and multiplet effects. In this study, we develop spin-free time-dependent density functional theory (TDDFT) as a viable and predictive tool to simulate the Ru L3-edge spectra. We successfully simulate and analyze the ground state Ru L3-edge XA spectra of a series of RuII and RuIII complexes: [Ru(NH3)6]2+/3+,more » [Ru(CN)6]4-/3-, [RuCl6]4-/3-, and the ground (1A1) and photoexcited (3MLCT) transient states of [Ru(bpy)3]2+ and Ru(dcbpy)2(NCS)2 (termed N3). The TDDFT simulations reproduce all the experimentally observed features in Ru L3-edge XA spectra. The advantage of using TDDFT to assign complicated Ru L3-edge spectra is illustrated by its ability to identify ligand specific charge transfer features in complex molecules. We conclude that the B3LYP functional is the most reliable functional for accurately predicting the location of charge transfer features in these spectra. Experimental and simulated Ru L3-edge XA spectra are presented for the transition metal mixed-valence dimers [(NC)5MII-CN-RuIII(NH3)5]- (where M = Fe or Ru) dissolved in water. We explore the spectral signatures of electron delocalization in Ru L3-edge XA spectroscopy and our simulations reveal that the inclusion of explicit solvent molecules is crucial for reproducing the experimentally determined valencies, highlighting the importance of the role of the solvent in transition metal charge transfer chemistry.« less

Estimating Water and Heat Fluxes with a Four-dimensional Weak-constraint Variational Data Assimilation Approach

NASA Astrophysics Data System (ADS)

Bateni, S. M.; Xu, T.

2015-12-01

Accurate estimation of water and heat fluxes is required for irrigation scheduling, weather prediction, and water resources planning and management. A weak-constraint variational data assimilation (WC-VDA) scheme is developed to estimate water and heat fluxes by assimilating sequences of land surface temperature (LST) observations. The commonly used strong-constraint VDA systems adversely affect the accuracy of water and heat flux estimates as they assume the model is perfect. The WC-VDA approach accounts for structural and model errors and generates more accurate results via adding a model error term into the surface energy balance equation. The two key unknown parameters of the WC-VDA system (i.e., CHN, the bulk heat transfer coefficient and EF, evaporative fraction) and the model error term are optimized by minimizing the cost function. The WC-VDA model was tested at two sites with contrasting hydrological and vegetative conditions: the Daman site (a wet site located in an oasis area and covered by seeded corn) and the Huazhaizi site (a dry site located in a desert area and covered by sparse grass) in middle stream of Heihe river basin, northwest China. Compared to the strong-constraint VDA system, the WC-VDA method generates more accurate estimates of water and energy fluxes over the desert and oasis sites with dry and wet conditions.

Nerve transfers in tetraplegia I: Background and technique

PubMed Central

Brown, Justin M.

2011-01-01

Background: The recovery of hand function is consistently rated as the highest priority for persons with tetraplegia. Recovering even partial arm and hand function can have an enormous impact on independence and quality of life of an individual. Currently, tendon transfers are the accepted modality for improving hand function. In this procedure, the distal end of a functional muscle is cut and reattached at the insertion site of a nonfunctional muscle. The tendon transfer sacrifices the function at a lesser location to provide function at a more important location. Nerve transfers are conceptually similar to tendon transfers and involve cutting and connecting a healthy but less critical nerve to a more important but paralyzed nerve to restore its function. Methods: We present a case of a 28-year-old patient with a C5-level ASIA B (international classification level 1) injury who underwent nerve transfers to restore arm and hand function. Intact peripheral innervation was confirmed in the paralyzed muscle groups corresponding to finger flexors and extensors, wrist flexors and extensors, and triceps bilaterally. Volitional control and good strength were present in the biceps and brachialis muscles, the deltoid, and the trapezius. The patient underwent nerve transfers to restore finger flexion and extension, wrist flexion and extension, and elbow extension. Intraoperative motor-evoked potentials and direct nerve stimulation were used to identify donor and recipient nerve branches. Results: The patient tolerated the procedure well, with a preserved function in both elbow flexion and shoulder abduction. Conclusions: Nerve transfers are a technically feasible means of restoring the upper extremity function in tetraplegia in cases that may not be amenable to tendon transfers. PMID:21918736

Information filtering based on transferring similarity.

PubMed

Sun, Duo; Zhou, Tao; Liu, Jian-Guo; Liu, Run-Ran; Jia, Chun-Xiao; Wang, Bing-Hong

2009-07-01

In this Brief Report, we propose an index of user similarity, namely, the transferring similarity, which involves all high-order similarities between users. Accordingly, we design a modified collaborative filtering algorithm, which provides remarkably higher accurate predictions than the standard collaborative filtering. More interestingly, we find that the algorithmic performance will approach its optimal value when the parameter, contained in the definition of transferring similarity, gets close to its critical value, before which the series expansion of transferring similarity is convergent and after which it is divergent. Our study is complementary to the one reported in [E. A. Leicht, P. Holme, and M. E. J. Newman, Phys. Rev. E 73, 026120 (2006)], and is relevant to the missing link prediction problem.

Assessment of the Subgrid-Scale Models at Low and High Reynolds Numbers

NASA Technical Reports Server (NTRS)

Horiuti, K.

1996-01-01

Accurate SGS models must be capable of correctly representing the energy transfer between GS and SGS. Recent direct assessment of the energy transfer carried out using direct numerical simulation (DNS) data for wall-bounded flows revealed that the energy exchange is not unidirectional. Although GS kinetic energy is transferred to the SGS (forward scatter (F-scatter) on average, SGS energy is also transferred to the GS. The latter energy exchange (backward scatter (B-scatter) is very significant, i.e., the local energy exchange can be backward nearly as often as forward and the local rate of B-scatter is considerably higher than the net rate of energy dissipation.

Transfer function concept for ultrasonic characterization of material microstructures

NASA Technical Reports Server (NTRS)

Vary, A.; Kautz, H. E.

1986-01-01

The approach given depends on treating material microstructures as elastomechanical filters that have analytically definable transfer functions. These transfer functions can be defined in terms of the frequency dependence of the ultrasonic attenuation coefficient. The transfer function concept provides a basis for synthesizing expressions that characterize polycrystalline materials relative to microstructural factors such as mean grain size, grain-size distribution functions, and grain boundary energy transmission. Although the approach is nonrigorous, it leads to a rational basis for combining the previously mentioned diverse and fragmented equations for ultrasonic attenuation coefficients.

Terrestrial solar spectral modeling. [SOLTRAN, BRITE, and FLASH codes

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

Bird, R.E.

The utility of accurate computer codes for calculating the solar spectral irradiance under various atmospheric conditions was recognized. New absorption and extraterrestrial spectral data are introduced. Progress is made in radiative transfer modeling outside of the solar community, especially for space and military applications. Three rigorous radiative transfer codes SOLTRAN, BRITE, and FLASH are employed. The SOLTRAN and BRITE codes are described and results from their use are presented.

Magnetic induced heating of nanoparticle solutions

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

Murph, S. Hunyadi; Brown, M.; Coopersmith, K.

2016-12-02

Magnetic induced heating of nanoparticles (NP) provides a useful advantage for many energy transfer applications. This study aims to gain an understanding of the key parameters responsible for maximizing the energy transfer leading to nanoparticle heating through the use of simulations and experimental results. It was found that magnetic field strength, NP concentration, NP composition, and coil size can be controlled to generate accurate temperature profiles in NP aqueous solutions.

An applicable method for efficiency estimation of operating tray distillation columns and its comparison with the methods utilized in HYSYS and Aspen Plus

NASA Astrophysics Data System (ADS)

Sadeghifar, Hamidreza

2015-10-01

Developing general methods that rely on column data for the efficiency estimation of operating (existing) distillation columns has been overlooked in the literature. Most of the available methods are based on empirical mass transfer and hydraulic relations correlated to laboratory data. Therefore, these methods may not be sufficiently accurate when applied to industrial columns. In this paper, an applicable and accurate method was developed for the efficiency estimation of distillation columns filled with trays. This method can calculate efficiency as well as mass and heat transfer coefficients without using any empirical mass transfer or hydraulic correlations and without the need to estimate operational or hydraulic parameters of the column. E.g., the method does not need to estimate tray interfacial area, which can be its most important advantage over all the available methods. The method can be used for the efficiency prediction of any trays in distillation columns. For the efficiency calculation, the method employs the column data and uses the true rates of the mass and heat transfers occurring inside the operating column. It is highly emphasized that estimating efficiency of an operating column has to be distinguished from that of a column being designed.

Optimization of magnetization transfer measurements: statistical analysis by stochastic simulation. Application to creatine kinase kinetics.

PubMed

Rydzy, M; Deslauriers, R; Smith, I C; Saunders, J K

1990-08-01

A systematic study was performed to optimize the accuracy of kinetic parameters derived from magnetization transfer measurements. Three techniques were investigated: time-dependent saturation transfer (TDST), saturation recovery (SRS), and inversion recovery (IRS). In the last two methods, one of the resonances undergoing exchange is saturated throughout the experiment. The three techniques were compared with respect to the accuracy of the kinetic parameters derived from experiments performed in a given, fixed, amount of time. Stochastic simulation of magnetization transfer experiments was performed to optimize experimental design. General formulas for the relative accuracies of the unidirectional rate constant (k) were derived for each of the three experimental methods. It was calculated that for k values between 0.1 and 1.0 s-1, T1 values between 1 and 10 s, and relaxation delays appropriate for the creatine kinase reaction, the SRS method yields more accurate values of k than does the IRS method. The TDST method is more accurate than the SRS method for reactions where T1 is long and k is large, within the range of k and T1 values examined. Experimental verification of the method was carried out on a solution in which the forward (PCr----ATP) rate constant (kf) of the creatine kinase reaction was measured.

The Subscale Orbital Fluid Transfer Experiment

NASA Technical Reports Server (NTRS)

Meserole, J. S.; Collins, Frank G.; Jones, Ogden; Antar, Basil; Menzel, Reinhard; Gray, Perry

1989-01-01

The Center for Advanced Spacecraft Propulsion (CASP) is a subcontractor to Boeing Aerospace Corporation to provide support for the concept definition and design of a subscale orbital fluid transfer experiment (SOFTE). SOFTE is an experiment that will look at the fluid mechanics of the process of transfer of a saturated fluid between two tanks. The experiment will be placed in two get away special (GAS) can containers; the tanks will be in one container and the power and electronics will be in a second container. Since GAS cans are being used, the experiment will be autonomous. The work during the present year consisted of examining concepts for visual observation of the fluid transfer process, methods for accurately metering the amount of fluid transferred between the two tanks, possible test fluids, and materials for the elastomeric diaphragm.

VALIDATION OF BENEFIT-TRANSFER FUNCTIONS

EPA Science Inventory

1. Identification of benefit-transfer functions that are the most credible. 2. Identification of benefit-transfer issues that are related to transfer method and those related to data limitations. 3. Clarification of issues t...

NPAC-Nozzle Performance Analysis Code

NASA Technical Reports Server (NTRS)

Barnhart, Paul J.

1997-01-01

A simple and accurate nozzle performance analysis methodology has been developed. The geometry modeling requirements are minimal and very flexible, thus allowing rapid design evaluations. The solution techniques accurately couple: continuity, momentum, energy, state, and other relations which permit fast and accurate calculations of nozzle gross thrust. The control volume and internal flow analyses are capable of accounting for the effects of: over/under expansion, flow divergence, wall friction, heat transfer, and mass addition/loss across surfaces. The results from the nozzle performance methodology are shown to be in excellent agreement with experimental data for a variety of nozzle designs over a range of operating conditions.

A bio-optical model for integration into ecosystem models for the Ligurian Sea

NASA Astrophysics Data System (ADS)

Bengil, Fethi; McKee, David; Beşiktepe, Sükrü T.; Sanjuan Calzado, Violeta; Trees, Charles

2016-12-01

A bio-optical model has been developed for the Ligurian Sea which encompasses both deep, oceanic Case 1 waters and shallow, coastal Case 2 waters. The model builds on earlier Case 1 models for the region and uses field data collected on the BP09 research cruise to establish new relationships for non-biogenic particles and CDOM. The bio-optical model reproduces in situ IOPs accurately and is used to parameterize radiative transfer simulations which demonstrate its utility for modeling underwater light levels and above surface remote sensing reflectance. Prediction of euphotic depth is found to be accurate to within ∼3.2 m (RMSE). Previously published light field models work well for deep oceanic parts of the Ligurian Sea that fit the Case 1 classification. However, they are found to significantly over-estimate euphotic depth in optically complex coastal waters where the influence of non-biogenic materials is strongest. For these coastal waters, the combination of the bio-optical model proposed here and full radiative transfer simulations provides significantly more accurate predictions of euphotic depth.

An effective approach of lesion segmentation within the breast ultrasound image based on the cellular automata principle.

PubMed

Liu, Yan; Cheng, H D; Huang, Jianhua; Zhang, Yingtao; Tang, Xianglong

2012-10-01

In this paper, a novel lesion segmentation within breast ultrasound (BUS) image based on the cellular automata principle is proposed. Its energy transition function is formulated based on global image information difference and local image information difference using different energy transfer strategies. First, an energy decrease strategy is used for modeling the spatial relation information of pixels. For modeling global image information difference, a seed information comparison function is developed using an energy preserve strategy. Then, a texture information comparison function is proposed for considering local image difference in different regions, which is helpful for handling blurry boundaries. Moreover, two neighborhood systems (von Neumann and Moore neighborhood systems) are integrated as the evolution environment, and a similarity-based criterion is used for suppressing noise and reducing computation complexity. The proposed method was applied to 205 clinical BUS images for studying its characteristic and functionality, and several overlapping area error metrics and statistical evaluation methods are utilized for evaluating its performance. The experimental results demonstrate that the proposed method can handle BUS images with blurry boundaries and low contrast well and can segment breast lesions accurately and effectively.

Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM-B3LYP.

PubMed

Komjáti, Balázs; Urai, Ákos; Hosztafi, Sándor; Kökösi, József; Kováts, Benjámin; Nagy, József; Horváth, Péter

2016-02-15

B3LYP is one of the most widely used functional for the prediction of electronic circular dichroism spectra, however if the studied molecule contains aromatic nitro group computations may fail to produce reliable results. A test set of molecules of known stereochemistry were synthesized to study this phenomenon in detail. Spectra were computed by B3LYP and CAM-B3LYP functionals with 6-311++G(2d,2p) basis set. It was found that the range separated CAM-B3LYP gives better predictions than B3LYP for all test molecules. Fragment population analysis revealed that the nitro groups form highly localized molecule orbitals but the exact composition depends on the functional. CAM-B3LYP allows sufficient spatial overlap between the nitro group and distant parts of the molecule, which is necessary for the accurate description of excited states especially for charge transfer states. This phenomenon and the synthesized test molecules can be used to benchmark theoretical methods as well as to help the development of new functionals intended for spectroscopical studies. Copyright © 2015 Elsevier B.V. All rights reserved.

Mitochondrial Retroprocessing Promoted Functional Transfers of rpl5 to the Nucleus in Grasses.

PubMed

Wu, Zhiqiang; Sloan, Daniel B; Brown, Colin W; Rosenblueth, Mónica; Palmer, Jeffrey D; Ong, Han Chuan

2017-09-01

Functional gene transfers from the mitochondrion to the nucleus are ongoing in angiosperms and have occurred repeatedly for all 15 ribosomal protein genes, but it is not clear why some of these genes are transferred more often than others nor what the balance is between DNA- and RNA-mediated transfers. Although direct insertion of mitochondrial DNA into the nucleus occurs frequently in angiosperms, case studies of functional mitochondrial gene transfer have implicated an RNA-mediated mechanism that eliminates introns and RNA editing sites, which would otherwise impede proper expression of mitochondrial genes in the nucleus. To elucidate the mechanisms that facilitate functional gene transfers and the evolutionary dynamics of the coexisting nuclear and mitochondrial gene copies that are established during these transfers, we have analyzed rpl5 genes from 90 grasses (Poaceae) and related monocots. Multiple lines of evidence indicate that rpl5 has been functionally transferred to the nucleus at least three separate times in the grass family and that at least seven species have intact and transcribed (but not necessarily functional) copies in both the mitochondrion and nucleus. In two grasses, likely functional nuclear copies of rpl5 have been subject to recent gene conversion events via secondarily transferred mitochondrial copies in what we believe are the first described cases of mitochondrial-to-nuclear gene conversion. We show that rpl5 underwent a retroprocessing event within the mitochondrial genome early in the evolution of the grass family, which we argue predisposed the gene towards successful, DNA-mediated functional transfer by generating a "pre-edited" sequence. © The Author 2017. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Fast computation of the electrolyte-concentration transfer function of a lithium-ion cell model

NASA Astrophysics Data System (ADS)

Rodríguez, Albert; Plett, Gregory L.; Trimboli, M. Scott

2017-08-01

One approach to creating physics-based reduced-order models (ROMs) of battery-cell dynamics requires first generating linearized Laplace-domain transfer functions of all cell internal electrochemical variables of interest. Then, the resulting infinite-dimensional transfer functions can be reduced by various means in order to find an approximate low-dimensional model. These methods include Padé approximation or the Discrete-Time Realization algorithm. In a previous article, Lee and colleagues developed a transfer function of the electrolyte concentration for a porous-electrode pseudo-two-dimensional lithium-ion cell model. Their approach used separation of variables and Sturm-Liouville theory to compute an infinite-series solution to the transfer function, which they then truncated to a finite number of terms for reasons of practicality. Here, we instead use a variation-of-parameters approach to arrive at a different representation of the identical solution that does not require a series expansion. The primary benefits of the new approach are speed of computation of the transfer function and the removal of the requirement to approximate the transfer function by truncating the number of terms evaluated. Results show that the speedup of the new method can be more than 3800.

The transfer functions of cardiac tissue during stochastic pacing.

PubMed

de Lange, Enno; Kucera, Jan P

2009-01-01

The restitution properties of cardiac action potential duration (APD) and conduction velocity (CV) are important factors in arrhythmogenesis. They determine alternans, wavebreak, and the patterns of reentrant arrhythmias. We developed a novel approach to characterize restitution using transfer functions. Transfer functions relate an input and an output quantity in terms of gain and phase shift in the complex frequency domain. We derived an analytical expression for the transfer function of interbeat intervals (IBIs) during conduction from one site (input) to another site downstream (output). Transfer functions can be efficiently obtained using a stochastic pacing protocol. Using simulations of conduction and extracellular mapping of strands of neonatal rat ventricular myocytes, we show that transfer functions permit the quantification of APD and CV restitution slopes when it is difficult to measure APD directly. We find that the normally positive CV restitution slope attenuates IBI variations. In contrast, a negative CV restitution slope (induced by decreasing extracellular [K(+)]) amplifies IBI variations with a maximum at the frequency of alternans. Hence, it potentiates alternans and renders conduction unstable, even in the absence of APD restitution. Thus, stochastic pacing and transfer function analysis represent a powerful strategy to evaluate restitution and the stability of conduction.

Clouds in the atmospheres of extrasolar planets. IV. On the scattering greenhouse effect of CO2 ice particles: Numerical radiative transfer studies

NASA Astrophysics Data System (ADS)

Kitzmann, D.; Patzer, A. B. C.; Rauer, H.

2013-09-01

Context. Owing to their wavelength-dependent absorption and scattering properties, clouds have a strong impact on the climate of planetary atmospheres. The potential greenhouse effect of CO2 ice clouds in the atmospheres of terrestrial extrasolar planets is of particular interest because it might influence the position and thus the extension of the outer boundary of the classic habitable zone around main sequence stars. Such a greenhouse effect, however, is a complicated function of the CO2 ice particles' optical properties. Aims: We study the radiative effects of CO2 ice particles obtained by different numerical treatments to solve the radiative transfer equation. To determine the effectiveness of the scattering greenhouse effect caused by CO2 ice clouds, the radiative transfer calculations are performed over the relevant wide range of particle sizes and optical depths, employing different numerical methods. Methods: We used Mie theory to calculate the optical properties of particle polydispersion. The radiative transfer calculations were done with a high-order discrete ordinate method (DISORT). Two-stream radiative transfer methods were used for comparison with previous studies. Results: The comparison between the results of a high-order discrete ordinate method and simpler two-stream approaches reveals large deviations in terms of a potential scattering efficiency of the greenhouse effect. The two-stream methods overestimate the transmitted and reflected radiation, thereby yielding a higher scattering greenhouse effect. For the particular case of a cool M-type dwarf, the CO2 ice particles show no strong effective scattering greenhouse effect by using the high-order discrete ordinate method, whereas a positive net greenhouse effect was found for the two-stream radiative transfer schemes. As a result, previous studies of the effects of CO2 ice clouds using two-stream approximations overrated the atmospheric warming caused by the scattering greenhouse effect. Consequently, the scattering greenhouse effect of CO2 ice particles seems to be less effective than previously estimated. In general, higher order radiative transfer methods are needed to describe the effects of CO2 ice clouds accurately as indicated by our numerical radiative transfer studies.

[Quality Improvement Project: Increasing the Rate of Proper Use of Infant Transferring Warmers].

PubMed

Huang, Hsiu-Yu; Fann, Guei-Ling

2015-10-01

Infant-transferring warmers provide a warm environment and emergency care facilities such ventilators for high-risk infants during transport. Accurate use of this warmer has been demonstrated to reduce rates of neonatal complications and increase rates of survival. This project found that, despite the complaints of nurses that warmers occasionally malfunctioned during the transfer process, warmer functions nearly always tested normal after use. Therefore, the researchers surveyed ward nurses to better understand the underlying reasons for these complaints. Results found that only 68.4% of those surveyed operated the warmer correctly. The reasons for improper use were analyzed and categorized as: Nurse-related factors - lack of warmer operating knowledge and experience in the clinic; System-related factors - lack of a standard operating procedure (SOP) and monitor/audit practices and an incomplete training protocol; Equipment-related factors - lack of an equipment preparation SOP and difficulties in setting the ventilator properly. The purpose of this project was to achieve a 100% rate of proper warmer use among nurses. Through continuous clinical education, we created a standard operating procedure for warmer operation, created a video and poster for warmer users, simplified the equipment preparation SOP, and periodically monitored and checked results. After the intervention, 100% of the nurses were able to use the warmers correctly. Additionally, the rate of satisfaction for nursing-warmer use among the participating nurses increased from 51.4% to 80.6%. This project effectively increased the rate for correctly using transferring warmers among participating nurses and improved the quality of medical care.

Treatment of peroneal nerve injuries with simultaneous tendon transfer and nerve exploration.

PubMed

Ho, Bryant; Khan, Zubair; Switaj, Paul J; Ochenjele, George; Fuchs, Daniel; Dahl, William; Cederna, Paul; Kung, Theodore A; Kadakia, Anish R

2014-08-06

Common peroneal nerve palsy leading to foot drop is difficult to manage and has historically been treated with extended bracing with expectant waiting for return of nerve function. Peroneal nerve exploration has traditionally been avoided except in cases of known traumatic or iatrogenic injury, with tendon transfers being performed in a delayed fashion after exhausting conservative treatment. We present a new strategy for management of foot drop with nerve exploration and concomitant tendon transfer. We retrospectively reviewed a series of 12 patients with peroneal nerve palsies that were treated with tendon transfer from 2005 to 2011. Of these patients, seven were treated with simultaneous peroneal nerve exploration and repair at the time of tendon transfer. Patients with both nerve repair and tendon transfer had superior functional results with active dorsiflexion in all patients, compared to dorsiflexion in 40% of patients treated with tendon transfers alone. Additionally, 57% of patients treated with nerve repair and tendon transfer were able to achieve enough function to return to running, compared to 20% in patients with tendon transfer alone. No patient had full return of native motor function resulting in excessive dorsiflexion strength. The results of our limited case series for this rare condition indicate that simultaneous nerve repair and tendon transfer showed no detrimental results and may provide improved function over tendon transfer alone.

27 CFR 25.41 - Measuring system required.

Code of Federal Regulations, 2010 CFR

2010-04-01

..., DEPARTMENT OF THE TREASURY LIQUORS BEER Measurement of Beer § 25.41 Measuring system required. The brewer shall accurately and reliably measure the quantity of beer transferred from the brewery cellars for...

27 CFR 25.41 - Measuring system required.

Code of Federal Regulations, 2014 CFR

2014-04-01

..., DEPARTMENT OF THE TREASURY ALCOHOL BEER Measurement of Beer § 25.41 Measuring system required. The brewer shall accurately and reliably measure the quantity of beer transferred from the brewery cellars for...

27 CFR 25.41 - Measuring system required.

Code of Federal Regulations, 2012 CFR

2012-04-01

..., DEPARTMENT OF THE TREASURY LIQUORS BEER Measurement of Beer § 25.41 Measuring system required. The brewer shall accurately and reliably measure the quantity of beer transferred from the brewery cellars for...

27 CFR 25.41 - Measuring system required.

Code of Federal Regulations, 2013 CFR

2013-04-01

..., DEPARTMENT OF THE TREASURY ALCOHOL BEER Measurement of Beer § 25.41 Measuring system required. The brewer shall accurately and reliably measure the quantity of beer transferred from the brewery cellars for...