Application of ADM1 for modeling of biogas production from anaerobic digestion of Hydrilla verticillata.

PubMed

Chen, Xiaojuan; Chen, Zhihua; Wang, Xun; Huo, Chan; Hu, Zhiquan; Xiao, Bo; Hu, Mian

2016-07-01

The present study focused on the application of anaerobic digestion model no. 1 (ADM1) to simulate biogas production from Hydrilla verticillata. Model simulation was carried out by implementing ADM1 in AQUASIM 2.0 software. Sensitivity analysis was used to select the most sensitive parameters for estimation using the absolute-relative sensitivity function. Among all the kinetic parameters, disintegration constant (kdis), hydrolysis constant of protein (khyd_pr), Monod maximum specific substrate uptake rate (km_aa, km_ac, km_h2) and half-saturation constants (Ks_aa, Ks_ac) affect biogas production significantly, which were optimized by fitting of the model equations to the data obtained from batch experiments. The ADM1 model after parameter estimation was able to well predict the experimental results of daily biogas production and biogas composition. The simulation results of evolution of organic acids, bacteria concentrations and inhibition effects also helped to get insight into the reaction mechanisms. Copyright © 2016. Published by Elsevier Ltd.

Consistent parameter fixing in the quark-meson model with vacuum fluctuations

NASA Astrophysics Data System (ADS)

Carignano, Stefano; Buballa, Michael; Elkamhawy, Wael

2016-08-01

We revisit the renormalization prescription for the quark-meson model in an extended mean-field approximation, where vacuum quark fluctuations are included. At a given cutoff scale the model parameters are fixed by fitting vacuum quantities, typically including the sigma-meson mass mσ and the pion decay constant fπ. In most publications the latter is identified with the expectation value of the sigma field, while for mσ the curvature mass is taken. When quark loops are included, this prescription is however inconsistent, and the correct identification involves the renormalized pion decay constant and the sigma pole mass. In the present article we investigate the influence of the parameter-fixing scheme on the phase structure of the model at finite temperature and chemical potential. Despite large differences between the model parameters in the two schemes, we find that in homogeneous matter the effect on the phase diagram is relatively small. For inhomogeneous phases, on the other hand, the choice of the proper renormalization prescription is crucial. In particular, we show that if renormalization effects on the pion decay constant are not considered, the model does not even present a well-defined renormalized limit when the cutoff is sent to infinity.

The estimation of material and patch parameters in a PDE-based circular plate model

NASA Technical Reports Server (NTRS)

Banks, H. T.; Smith, Ralph C.; Brown, D. E.; Metcalf, Vern L.; Silcox, R. J.

1995-01-01

The estimation of material and patch parameters for a system involving a circular plate, to which piezoceramic patches are bonded, is considered. A partial differential equation (PDE) model for the thin circular plate is used with the passive and active contributions form the patches included in the internal and external bending moments. This model contains piecewise constant parameters describing the density, flexural rigidity, Poisson ratio, and Kelvin-Voigt damping for the system as well as patch constants and a coefficient for viscous air damping. Examples demonstrating the estimation of these parameters with experimental acceleration data and a variety of inputs to the experimental plate are presented. By using a physically-derived PDE model to describe the system, parameter sets consistent across experiments are obtained, even when phenomena such as damping due to electric circuits affect the system dynamics.

Inflation with a constant rate of roll

NASA Astrophysics Data System (ADS)

Motohashi, Hayato; Starobinsky, Alexei A.; Yokoyama, Jun'ichi

2015-09-01

We consider an inflationary scenario where the rate of inflaton roll defined by ̈phi/H dot phi remains constant. The rate of roll is small for slow-roll inflation, while a generic rate of roll leads to the interesting case of 'constant-roll' inflation. We find a general exact solution for the inflaton potential required for such inflaton behaviour. In this model, due to non-slow evolution of background, the would-be decaying mode of linear scalar (curvature) perturbations may not be neglected. It can even grow for some values of the model parameter, while the other mode always remains constant. However, this always occurs for unstable solutions which are not attractors for the given potential. The most interesting particular cases of constant-roll inflation remaining viable with the most recent observational data are quadratic hilltop inflation (with cutoff) and natural inflation (with an additional negative cosmological constant). In these cases even-order slow-roll parameters approach non-negligible constants while the odd ones are asymptotically vanishing in the quasi-de Sitter regime.

Modelling and analysis of creep deformation and fracture in a 1 Cr 1/2 Mo ferritic steel

NASA Astrophysics Data System (ADS)

Dyson, B. F.; Osgerby, D.

A quantitative model, based upon a proposed new mechanism of creep deformation in particle-hardened alloys, has been validated by analysis of creep data from a 13CrMo 4 4 (1Cr 1/2 Mo) material tested under a range of stresses and temperatures. The methodology that has been used to extract the model parameters quantifies, as a first approximation, only the main degradation (damage) processes - in the case of the 1CR 1/2 Mo steel, these are considered to be the parallel operation of particle-coarsening and a progressively increasing stress due to a constant-load boundary condition. These 'global' model parameters can then be modified (only slightly) as required to obtain a detailed description and 'fit' to the rupture lifetime and strain/time trajectory of any individual test. The global model parameter approach may be thought of as predicting average behavior and the detailed fits as taking account of uncertainties (scatter) due to variability in the material. Using the global parameter dataset, predictions have also been made of behavior under biaxial stressing; constant straining rate; constant total strain (stress relaxation) and the likely success or otherwise of metallographic and mechanical remanent lifetime procedures.

Autoxidation of jet fuels: Implications for modeling and thermal stability

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

Heneghan, S.P.; Chin, L.P.

1995-05-01

The study and modeling of jet fuel thermal deposition is dependent on an understanding of and ability to model the oxidation chemistry. Global modeling of jet fuel oxidation is complicated by several facts. First, liquid jet fuels are hard to heat rapidly and fuels may begin to oxidize during the heat-up phase. Non-isothermal conditions can be accounted for but the evaluation of temperature versus time is difficult. Second, the jet fuels are a mixture of many compounds that may oxidize at different rates. Third, jet fuel oxidation may be autoaccelerating through the decomposition of the oxidation products. Attempts to modelmore » the deposition of jet fuels in two different flowing systems showed the inadequacy of a simple two-parameter global Arrhenius oxidation rate constant. Discarding previous assumptions about the form of the global rate constants results in a four parameter model (which accounts for autoacceleration). This paper discusses the source of the rate constant form and the meaning of each parameter. One of these parameters is associated with the pre-exponential of the autoxidation chain length. This value is expected to vary inversely to thermal stability. We calculate the parameters for two different fuels and discuss the implication to thermal and oxidative stability of the fuels. Finally, we discuss the effect of non-Arrhenius behavior on current modeling of deposition efforts.« less

Modeling of Waves Propagating in Water with a Crushed Ice Layer on the Free Surface

NASA Astrophysics Data System (ADS)

Szmidt, Kazimierz

2017-12-01

A transformation of gravitational waves in fluid of constant depth with a crushed ice layer floating on the free fluid surface is considered. The propagating waves undergo a slight damping along their path of propagation. The main goal of the study is to construct an approximate descriptive model of this phenomenon.With regard to small displacements of the free surface, a viscous type model of damping is considered, which corresponds to a continuous distribution of dash-pots at the free surface of the fluid. A constant parameter of the dampers is assumed in advance as known parameter of damping. This parameter may be obtained by means of experiments in a laboratory flume.

Identification of hydrological model parameter variation using ensemble Kalman filter

NASA Astrophysics Data System (ADS)

Deng, Chao; Liu, Pan; Guo, Shenglian; Li, Zejun; Wang, Dingbao

2016-12-01

Hydrological model parameters play an important role in the ability of model prediction. In a stationary context, parameters of hydrological models are treated as constants; however, model parameters may vary with time under climate change and anthropogenic activities. The technique of ensemble Kalman filter (EnKF) is proposed to identify the temporal variation of parameters for a two-parameter monthly water balance model (TWBM) by assimilating the runoff observations. Through a synthetic experiment, the proposed method is evaluated with time-invariant (i.e., constant) parameters and different types of parameter variations, including trend, abrupt change and periodicity. Various levels of observation uncertainty are designed to examine the performance of the EnKF. The results show that the EnKF can successfully capture the temporal variations of the model parameters. The application to the Wudinghe basin shows that the water storage capacity (SC) of the TWBM model has an apparent increasing trend during the period from 1958 to 2000. The identified temporal variation of SC is explained by land use and land cover changes due to soil and water conservation measures. In contrast, the application to the Tongtianhe basin shows that the estimated SC has no significant variation during the simulation period of 1982-2013, corresponding to the relatively stationary catchment properties. The evapotranspiration parameter (C) has temporal variations while no obvious change patterns exist. The proposed method provides an effective tool for quantifying the temporal variations of the model parameters, thereby improving the accuracy and reliability of model simulations and forecasts.

Non-polarizable force field of water based on the dielectric constant: TIP4P/ε.

PubMed

Fuentes-Azcatl, Raúl; Alejandre, José

2014-02-06

The static dielectric constant at room temperature and the temperature of maximum density are used as target properties to develop, by molecular dynamics simulations, the TIP4P/ε force field of water. The TIP4P parameters are used as a starting point. The key step, to determine simultaneously both properties, is to perform simulations at 240 K where a molecular dipole moment of minimum density is found. The minimum is shifted to larger values of μ as the distance between the oxygen atom and site M, lOM, decreases. First, the parameters that define the dipole moment are adjusted to reproduce the experimental dielectric constant and then the Lennard-Jones parameters are varied to match the temperature of maximum density. The minimum on density at 240 K allows understanding why reported TIP4P models fail to reproduce the temperature of maximum density, the dielectric constant, or both properties. The new model reproduces some of the thermodynamic and transport anomalies of water. Additionally, the dielectric constant, thermodynamics, and dynamical and structural properties at different temperatures and pressures are in excellent agreement with experimental data. The computational cost of the new model is the same as that of the TIP4P.

Modelling of intermittent microwave convective drying: parameter sensitivity

NASA Astrophysics Data System (ADS)

Zhang, Zhijun; Qin, Wenchao; Shi, Bin; Gao, Jingxin; Zhang, Shiwei

2017-06-01

The reliability of the predictions of a mathematical model is a prerequisite to its utilization. A multiphase porous media model of intermittent microwave convective drying is developed based on the literature. The model considers the liquid water, gas and solid matrix inside of food. The model is simulated by COMSOL software. Its sensitivity parameter is analysed by changing the parameter values by ±20%, with the exception of several parameters. The sensitivity analysis of the process of the microwave power level shows that each parameter: ambient temperature, effective gas diffusivity, and evaporation rate constant, has significant effects on the process. However, the surface mass, heat transfer coefficient, relative and intrinsic permeability of the gas, and capillary diffusivity of water do not have a considerable effect. The evaporation rate constant has minimal parameter sensitivity with a ±20% value change, until it is changed 10-fold. In all results, the temperature and vapour pressure curves show the same trends as the moisture content curve. However, the water saturation at the medium surface and in the centre show different results. Vapour transfer is the major mass transfer phenomenon that affects the drying process.

Inflation with a constant rate of roll

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

Motohashi, Hayato; Starobinsky, Alexei A.; Yokoyama, Jun'ichi, E-mail: motohashi@kicp.uchicago.edu, E-mail: alstar@landau.ac.ru, E-mail: yokoyama@resceu.s.u-tokyo.ac.jp

2015-09-01

We consider an inflationary scenario where the rate of inflaton roll defined by {sup ··}φ/H φ-dot remains constant. The rate of roll is small for slow-roll inflation, while a generic rate of roll leads to the interesting case of 'constant-roll' inflation. We find a general exact solution for the inflaton potential required for such inflaton behaviour. In this model, due to non-slow evolution of background, the would-be decaying mode of linear scalar (curvature) perturbations may not be neglected. It can even grow for some values of the model parameter, while the other mode always remains constant. However, this always occurs formore » unstable solutions which are not attractors for the given potential. The most interesting particular cases of constant-roll inflation remaining viable with the most recent observational data are quadratic hilltop inflation (with cutoff) and natural inflation (with an additional negative cosmological constant). In these cases even-order slow-roll parameters approach non-negligible constants while the odd ones are asymptotically vanishing in the quasi-de Sitter regime.« less

Improved battery parameter estimation method considering operating scenarios for HEV/EV applications

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

Yang, Jufeng; Xia, Bing; Shang, Yunlong

This study presents an improved battery parameter estimation method based on typical operating scenarios in hybrid electric vehicles and pure electric vehicles. Compared with the conventional estimation methods, the proposed method takes both the constant-current charging and the dynamic driving scenarios into account, and two separate sets of model parameters are estimated through different parts of the pulse-rest test. The model parameters for the constant-charging scenario are estimated from the data in the pulse-charging periods, while the model parameters for the dynamic driving scenario are estimated from the data in the rest periods, and the length of the fitted datasetmore » is determined by the spectrum analysis of the load current. In addition, the unsaturated phenomenon caused by the long-term resistor-capacitor (RC) network is analyzed, and the initial voltage expressions of the RC networks in the fitting functions are improved to ensure a higher model fidelity. Simulation and experiment results validated the feasibility of the developed estimation method.« less

Improved battery parameter estimation method considering operating scenarios for HEV/EV applications

DOE PAGES

Yang, Jufeng; Xia, Bing; Shang, Yunlong; ...

2016-12-22

This study presents an improved battery parameter estimation method based on typical operating scenarios in hybrid electric vehicles and pure electric vehicles. Compared with the conventional estimation methods, the proposed method takes both the constant-current charging and the dynamic driving scenarios into account, and two separate sets of model parameters are estimated through different parts of the pulse-rest test. The model parameters for the constant-charging scenario are estimated from the data in the pulse-charging periods, while the model parameters for the dynamic driving scenario are estimated from the data in the rest periods, and the length of the fitted datasetmore » is determined by the spectrum analysis of the load current. In addition, the unsaturated phenomenon caused by the long-term resistor-capacitor (RC) network is analyzed, and the initial voltage expressions of the RC networks in the fitting functions are improved to ensure a higher model fidelity. Simulation and experiment results validated the feasibility of the developed estimation method.« less

Constant-parameter capture-recapture models

USGS Publications Warehouse

Brownie, C.; Hines, J.E.; Nichols, J.D.

1986-01-01

Jolly (1982, Biometrics 38, 301-321) presented modifications of the Jolly-Seber model for capture-recapture data, which assume constant survival and/or capture rates. Where appropriate, because of the reduced number of parameters, these models lead to more efficient estimators than the Jolly-Seber model. The tests to compare models given by Jolly do not make complete use of the data, and we present here the appropriate modifications, and also indicate how to carry out goodness-of-fit tests which utilize individual capture history information. We also describe analogous models for the case where young and adult animals are tagged. The availability of computer programs to perform the analysis is noted, and examples are given using output from these programs.

Wormholes and the cosmological constant problem.

NASA Astrophysics Data System (ADS)

Klebanov, I.

The author reviews the cosmological constant problem and the recently proposed wormhole mechanism for its solution. Summation over wormholes in the Euclidean path integral for gravity turns all the coupling parameters into dynamical variables, sampled from a probability distribution. A formal saddle point analysis results in a distribution with a sharp peak at the cosmological constant equal to zero, which appears to solve the cosmological constant problem. He discusses the instabilities of the gravitational Euclidean path integral and the difficulties with its interpretation. He presents an alternate formalism for baby universes, based on the "third quantization" of the Wheeler-De Witt equation. This approach is analyzed in a minisuperspace model for quantum gravity, where it reduces to simple quantum mechanics. Once again, the coupling parameters become dynamical. Unfortunately, the a priori probability distribution for the cosmological constant and other parameters is typically a smooth function, with no sharp peaks.

Parameter identification of material constants in a composite shell structure

NASA Technical Reports Server (NTRS)

Martinez, David R.; Carne, Thomas G.

1988-01-01

One of the basic requirements in engineering analysis is the development of a mathematical model describing the system. Frequently comparisons with test data are used as a measurement of the adequacy of the model. An attempt is typically made to update or improve the model to provide a test verified analysis tool. System identification provides a systematic procedure for accomplishing this task. The terms system identification, parameter estimation, and model correlation all refer to techniques that use test information to update or verify mathematical models. The goal of system identification is to improve the correlation of model predictions with measured test data, and produce accurate, predictive models. For nonmetallic structures the modeling task is often difficult due to uncertainties in the elastic constants. A finite element model of the shell was created, which included uncertain orthotropic elastic constants. A modal survey test was then performed on the shell. The resulting modal data, along with the finite element model of the shell, were used in a Bayes estimation algorithm. This permitted the use of covariance matrices to weight the confidence in the initial parameter values as well as confidence in the measured test data. The estimation procedure also employed the concept of successive linearization to obtain an approximate solution to the original nonlinear estimation problem.

A simulation to study the feasibility of improving the temporal resolution of LAGEOS geodynamic solutions by using a sequential process noise filter

NASA Technical Reports Server (NTRS)

Hartman, Brian Davis

1995-01-01

A key drawback to estimating geodetic and geodynamic parameters over time based on satellite laser ranging (SLR) observations is the inability to accurately model all the forces acting on the satellite. Errors associated with the observations and the measurement model can detract from the estimates as well. These 'model errors' corrupt the solutions obtained from the satellite orbit determination process. Dynamical models for satellite motion utilize known geophysical parameters to mathematically detail the forces acting on the satellite. However, these parameters, while estimated as constants, vary over time. These temporal variations must be accounted for in some fashion to maintain meaningful solutions. The primary goal of this study is to analyze the feasibility of using a sequential process noise filter for estimating geodynamic parameters over time from the Laser Geodynamics Satellite (LAGEOS) SLR data. This evaluation is achieved by first simulating a sequence of realistic LAGEOS laser ranging observations. These observations are generated using models with known temporal variations in several geodynamic parameters (along track drag and the J(sub 2), J(sub 3), J(sub 4), and J(sub 5) geopotential coefficients). A standard (non-stochastic) filter and a stochastic process noise filter are then utilized to estimate the model parameters from the simulated observations. The standard non-stochastic filter estimates these parameters as constants over consecutive fixed time intervals. Thus, the resulting solutions contain constant estimates of parameters that vary in time which limits the temporal resolution and accuracy of the solution. The stochastic process noise filter estimates these parameters as correlated process noise variables. As a result, the stochastic process noise filter has the potential to estimate the temporal variations more accurately since the constraint of estimating the parameters as constants is eliminated. A comparison of the temporal resolution of solutions obtained from standard sequential filtering methods and process noise sequential filtering methods shows that the accuracy is significantly improved using process noise. The results show that the positional accuracy of the orbit is improved as well. The temporal resolution of the resulting solutions are detailed, and conclusions drawn about the results. Benefits and drawbacks of using process noise filtering in this type of scenario are also identified.

Observational constraint on spherical inhomogeneity with CMB and local Hubble parameter

NASA Astrophysics Data System (ADS)

Tokutake, Masato; Ichiki, Kiyotomo; Yoo, Chul-Moon

2018-03-01

We derive an observational constraint on a spherical inhomogeneity of the void centered at our position from the angular power spectrum of the cosmic microwave background (CMB) and local measurements of the Hubble parameter. The late time behaviour of the void is assumed to be well described by the so-called Λ-Lemaȋtre-Tolman-Bondi (ΛLTB) solution. Then, we restrict the models to the asymptotically homogeneous models each of which is approximated by a flat Friedmann-Lemaȋtre-Robertson-Walker model. The late time ΛLTB models are parametrized by four parameters including the value of the cosmological constant and the local Hubble parameter. The other two parameters are used to parametrize the observed distance-redshift relation. Then, the ΛLTB models are constructed so that they are compatible with the given distance-redshift relation. Including conventional parameters for the CMB analysis, we characterize our models by seven parameters in total. The local Hubble measurements are reflected in the prior distribution of the local Hubble parameter. As a result of a Markov-Chains-Monte-Carlo analysis for the CMB temperature and polarization anisotropies, we found that the inhomogeneous universe models with vanishing cosmological constant are ruled out as is expected. However, a significant under-density around us is still compatible with the angular power spectrum of CMB and the local Hubble parameter.

Nonlocal continuum electrostatic theory predicts surprisingly small energetic penalties for charge burial in proteins.

PubMed

Bardhan, Jaydeep P

2011-09-14

We study the energetics of burying charges, ion pairs, and ionizable groups in a simple protein model using nonlocal continuum electrostatics. Our primary finding is that the nonlocal response leads to markedly reduced solvent screening, comparable to the use of application-specific protein dielectric constants. Employing the same parameters as used in other nonlocal studies, we find that for a sphere of radius 13.4 Å containing a single +1e charge, the nonlocal solvation free energy varies less than 18 kcal/mol as the charge moves from the surface to the center, whereas the difference in the local Poisson model is ∼35 kcal/mol. Because an ion pair (salt bridge) generates a comparatively more rapidly varying Coulomb potential, energetics for salt bridges are even more significantly reduced in the nonlocal model. By varying the central parameter in nonlocal theory, which is an effective length scale associated with correlations between solvent molecules, nonlocal-model energetics can be varied from the standard local results to essentially zero; however, the existence of the reduction in charge-burial penalties is quite robust to variations in the protein dielectric constant and the correlation length. Finally, as a simple exploratory test of the implications of nonlocal response, we calculate glutamate pK(a) shifts and find that using standard protein parameters (ε(protein) = 2-4), nonlocal results match local-model predictions with much higher dielectric constants. Nonlocality may, therefore, be one factor in resolving discrepancies between measured protein dielectric constants and the model parameters often used to match titration experiments. Nonlocal models may hold significant promise to deepen our understanding of macromolecular electrostatics without substantially increasing computational complexity. © 2011 American Institute of Physics

Uncertainty quantification of reaction mechanisms accounting for correlations introduced by rate rules and fitted Arrhenius parameters

DOE PAGES

Prager, Jens; Najm, Habib N.; Sargsyan, Khachik; ...

2013-02-23

We study correlations among uncertain Arrhenius rate parameters in a chemical model for hydrocarbon fuel-air combustion. We consider correlations induced by the use of rate rules for modeling reaction rate constants, as well as those resulting from fitting rate expressions to empirical measurements arriving at a joint probability density for all Arrhenius parameters. We focus on homogeneous ignition in a fuel-air mixture at constant-pressure. We also outline a general methodology for this analysis using polynomial chaos and Bayesian inference methods. Finally, we examine the uncertainties in both the Arrhenius parameters and in predicted ignition time, outlining the role of correlations,more » and considering both accuracy and computational efficiency.« less

Parameter Estimation of Spacecraft Fuel Slosh Model

NASA Technical Reports Server (NTRS)

Gangadharan, Sathya; Sudermann, James; Marlowe, Andrea; Njengam Charles

2004-01-01

Fuel slosh in the upper stages of a spinning spacecraft during launch has been a long standing concern for the success of a space mission. Energy loss through the movement of the liquid fuel in the fuel tank affects the gyroscopic stability of the spacecraft and leads to nutation (wobble) which can cause devastating control issues. The rate at which nutation develops (defined by Nutation Time Constant (NTC can be tedious to calculate and largely inaccurate if done during the early stages of spacecraft design. Pure analytical means of predicting the influence of onboard liquids have generally failed. A strong need exists to identify and model the conditions of resonance between nutation motion and liquid modes and to understand the general characteristics of the liquid motion that causes the problem in spinning spacecraft. A 3-D computerized model of the fuel slosh that accounts for any resonant modes found in the experimental testing will allow for increased accuracy in the overall modeling process. Development of a more accurate model of the fuel slosh currently lies in a more generalized 3-D computerized model incorporating masses, springs and dampers. Parameters describing the model include the inertia tensor of the fuel, spring constants, and damper coefficients. Refinement and understanding the effects of these parameters allow for a more accurate simulation of fuel slosh. The current research will focus on developing models of different complexity and estimating the model parameters that will ultimately provide a more realistic prediction of Nutation Time Constant obtained through simulation.

Computation of restoration of ligand response in the random kinetics of a prostate cancer cell signaling pathway.

PubMed

Dana, Saswati; Nakakuki, Takashi; Hatakeyama, Mariko; Kimura, Shuhei; Raha, Soumyendu

2011-01-01

Mutation and/or dysfunction of signaling proteins in the mitogen activated protein kinase (MAPK) signal transduction pathway are frequently observed in various kinds of human cancer. Consistent with this fact, in the present study, we experimentally observe that the epidermal growth factor (EGF) induced activation profile of MAP kinase signaling is not straightforward dose-dependent in the PC3 prostate cancer cells. To find out what parameters and reactions in the pathway are involved in this departure from the normal dose-dependency, a model-based pathway analysis is performed. The pathway is mathematically modeled with 28 rate equations yielding those many ordinary differential equations (ODE) with kinetic rate constants that have been reported to take random values in the existing literature. This has led to us treating the ODE model of the pathways kinetics as a random differential equations (RDE) system in which the parameters are random variables. We show that our RDE model captures the uncertainty in the kinetic rate constants as seen in the behavior of the experimental data and more importantly, upon simulation, exhibits the abnormal EGF dose-dependency of the activation profile of MAP kinase signaling in PC3 prostate cancer cells. The most likely set of values of the kinetic rate constants obtained from fitting the RDE model into the experimental data is then used in a direct transcription based dynamic optimization method for computing the changes needed in these kinetic rate constant values for the restoration of the normal EGF dose response. The last computation identifies the parameters, i.e., the kinetic rate constants in the RDE model, that are the most sensitive to the change in the EGF dose response behavior in the PC3 prostate cancer cells. The reactions in which these most sensitive parameters participate emerge as candidate drug targets on the signaling pathway. 2011 Elsevier Ireland Ltd. All rights reserved.

Concepts, challenges, and successes in modeling thermodynamics of metabolism.

PubMed

Cannon, William R

2014-01-01

The modeling of the chemical reactions involved in metabolism is a daunting task. Ideally, the modeling of metabolism would use kinetic simulations, but these simulations require knowledge of the thousands of rate constants involved in the reactions. The measurement of rate constants is very labor intensive, and hence rate constants for most enzymatic reactions are not available. Consequently, constraint-based flux modeling has been the method of choice because it does not require the use of the rate constants of the law of mass action. However, this convenience also limits the predictive power of constraint-based approaches in that the law of mass action is used only as a constraint, making it difficult to predict metabolite levels or energy requirements of pathways. An alternative to both of these approaches is to model metabolism using simulations of states rather than simulations of reactions, in which the state is defined as the set of all metabolite counts or concentrations. While kinetic simulations model reactions based on the likelihood of the reaction derived from the law of mass action, states are modeled based on likelihood ratios of mass action. Both approaches provide information on the energy requirements of metabolic reactions and pathways. However, modeling states rather than reactions has the advantage that the parameters needed to model states (chemical potentials) are much easier to determine than the parameters needed to model reactions (rate constants). Herein, we discuss recent results, assumptions, and issues in using simulations of state to model metabolism.

A theoretical description of arterial pressure-flow relationships with verification in the isolated hindlimb of the dog.

PubMed

Jackman, A P; Green, J F

1990-01-01

We developed and tested a new two-compartment serial model of the arterial vasculature which unifies the capacitance (downstream arterial compliance) and waterfall (constant downstream pressure load) theories of blood flow through the arteries. In this model, blood drains from an upstream compliance through a resistance into a downstream compliance which empties into the veins through a downstream resistance which terminates in a constant pressure load. Using transient arterial pressure data obtained from an isolated canine hindlimb preparation, we tested this model, using a stop-flow technique. Numerical parameter estimation techniques were used to estimate the physiologic parameters of the model. The downstream compliance was found to be more than ten times larger than the upstream compliance and the constant pressure load was significantly above venous pressures but decreased in response to vasodilation. Our results support the applicability of both the capacitance and waterfall theories.

Holographic dark energy with cosmological constant

NASA Astrophysics Data System (ADS)

Hu, Yazhou; Li, Miao; Li, Nan; Zhang, Zhenhui

2015-08-01

Inspired by the multiverse scenario, we study a heterotic dark energy model in which there are two parts, the first being the cosmological constant and the second being the holographic dark energy, thus this model is named the ΛHDE model. By studying the ΛHDE model theoretically, we find that the parameters d and Ωhde are divided into a few domains in which the fate of the universe is quite different. We investigate dynamical behaviors of this model, and especially the future evolution of the universe. We perform fitting analysis on the cosmological parameters in the ΛHDE model by using the recent observational data. We find the model yields χ2min=426.27 when constrained by Planck+SNLS3+BAO+HST, comparable to the results of the HDE model (428.20) and the concordant ΛCDM model (431.35). At 68.3% CL, we obtain -0.07<ΩΛ0<0.68 and correspondingly 0.04<Ωhde0<0.79, implying at present there is considerable degeneracy between the holographic dark energy and cosmological constant components in the ΛHDE model.

Mathematical Model Relating Uniaxial Compressive Behavior of Manufactured Sand Mortar to MIP-Derived Pore Structure Parameters

PubMed Central

Tian, Zhenghong; Bu, Jingwu

2014-01-01

The uniaxial compression response of manufactured sand mortars proportioned using different water-cement ratio and sand-cement ratio is examined. Pore structure parameters such as porosity, threshold diameter, mean diameter, and total amounts of macropores, as well as shape and size of micropores are quantified by using mercury intrusion porosimetry (MIP) technique. Test results indicate that strains at peak stress and compressive strength decreased with the increasing sand-cement ratio due to insufficient binders to wrap up entire sand. A compression stress-strain model of normal concrete extending to predict the stress-strain relationships of manufactured sand mortar is verified and agreed well with experimental data. Furthermore, the stress-strain model constant is found to be influenced by threshold diameter, mean diameter, shape, and size of micropores. A mathematical model relating stress-strain model constants to the relevant pore structure parameters of manufactured sand mortar is developed. PMID:25133257

Mathematical model relating uniaxial compressive behavior of manufactured sand mortar to MIP-derived pore structure parameters.

PubMed

Tian, Zhenghong; Bu, Jingwu

2014-01-01

The uniaxial compression response of manufactured sand mortars proportioned using different water-cement ratio and sand-cement ratio is examined. Pore structure parameters such as porosity, threshold diameter, mean diameter, and total amounts of macropores, as well as shape and size of micropores are quantified by using mercury intrusion porosimetry (MIP) technique. Test results indicate that strains at peak stress and compressive strength decreased with the increasing sand-cement ratio due to insufficient binders to wrap up entire sand. A compression stress-strain model of normal concrete extending to predict the stress-strain relationships of manufactured sand mortar is verified and agreed well with experimental data. Furthermore, the stress-strain model constant is found to be influenced by threshold diameter, mean diameter, shape, and size of micropores. A mathematical model relating stress-strain model constants to the relevant pore structure parameters of manufactured sand mortar is developed.

Regularized Semiparametric Estimation for Ordinary Differential Equations

PubMed Central

Li, Yun; Zhu, Ji; Wang, Naisyin

2015-01-01

Ordinary differential equations (ODEs) are widely used in modeling dynamic systems and have ample applications in the fields of physics, engineering, economics and biological sciences. The ODE parameters often possess physiological meanings and can help scientists gain better understanding of the system. One key interest is thus to well estimate these parameters. Ideally, constant parameters are preferred due to their easy interpretation. In reality, however, constant parameters can be too restrictive such that even after incorporating error terms, there could still be unknown sources of disturbance that lead to poor agreement between observed data and the estimated ODE system. In this paper, we address this issue and accommodate short-term interferences by allowing parameters to vary with time. We propose a new regularized estimation procedure on the time-varying parameters of an ODE system so that these parameters could change with time during transitions but remain constants within stable stages. We found, through simulation studies, that the proposed method performs well and tends to have less variation in comparison to the non-regularized approach. On the theoretical front, we derive finite-sample estimation error bounds for the proposed method. Applications of the proposed method to modeling the hare-lynx relationship and the measles incidence dynamic in Ontario, Canada lead to satisfactory and meaningful results. PMID:26392639

A rigorous multiple independent binding site model for determining cell-based equilibrium dissociation constants.

PubMed

Drake, Andrew W; Klakamp, Scott L

2007-01-10

A new 4-parameter nonlinear equation based on the standard multiple independent binding site model (MIBS) is presented for fitting cell-based ligand titration data in order to calculate the ligand/cell receptor equilibrium dissociation constant and the number of receptors/cell. The most commonly used linear (Scatchard Plot) or nonlinear 2-parameter model (a single binding site model found in commercial programs like Prism(R)) used for analysis of ligand/receptor binding data assumes only the K(D) influences the shape of the titration curve. We demonstrate using simulated data sets that, depending upon the cell surface receptor expression level, the number of cells titrated, and the magnitude of the K(D) being measured, this assumption of always being under K(D)-controlled conditions can be erroneous and can lead to unreliable estimates for the binding parameters. We also compare and contrast the fitting of simulated data sets to the commonly used cell-based binding equation versus our more rigorous 4-parameter nonlinear MIBS model. It is shown through these simulations that the new 4-parameter MIBS model, when used for cell-based titrations under optimal conditions, yields highly accurate estimates of all binding parameters and hence should be the preferred model to fit cell-based experimental nonlinear titration data.

Transport, biodegradation and isotopic fractionation of chlorinated ethenes: modeling and parameter estimation methods

NASA Astrophysics Data System (ADS)

Béranger, Sandra C.; Sleep, Brent E.; Lollar, Barbara Sherwood; Monteagudo, Fernando Perez

2005-01-01

An analytical, one-dimensional, multi-species, reactive transport model for simulating the concentrations and isotopic signatures of tetrachloroethylene (PCE) and its daughter products was developed. The simulation model was coupled to a genetic algorithm (GA) combined with a gradient-based (GB) method to estimate the first order decay coefficients and enrichment factors. In testing with synthetic data, the hybrid GA-GB method reduced the computational requirements for parameter estimation by a factor as great as 300. The isotopic signature profiles were observed to be more sensitive than the concentration profiles to estimates of both the first order decay constants and enrichment factors. Including isotopic data for parameter estimation significantly increased the GA convergence rate and slightly improved the accuracy of estimation of first order decay constants.

Observational constraint on the interacting dark energy models including the Sandage-Loeb test

NASA Astrophysics Data System (ADS)

Zhang, Ming-Jian; Liu, Wen-Biao

2014-05-01

Two types of interacting dark energy models are investigated using the type Ia supernova (SNIa), observational data (OHD), cosmic microwave background shift parameter, and the secular Sandage-Loeb (SL) test. In the investigation, we have used two sets of parameter priors including WMAP-9 and Planck 2013. They have shown some interesting differences. We find that the inclusion of SL test can obviously provide a more stringent constraint on the parameters in both models. For the constant coupling model, the interaction term has been improved to be only a half of the original scale on corresponding errors. Comparing with only SNIa and OHD, we find that the inclusion of the SL test almost reduces the best-fit interaction to zero, which indicates that the higher-redshift observation including the SL test is necessary to track the evolution of the interaction. For the varying coupling model, data with the inclusion of the SL test show that the parameter at C.L. in Planck priors is , where the constant is characteristic for the severity of the coincidence problem. This indicates that the coincidence problem will be less severe. We then reconstruct the interaction , and we find that the best-fit interaction is also negative, similar to the constant coupling model. However, for a high redshift, the interaction generally vanishes at infinity. We also find that the phantom-like dark energy with is favored over the CDM model.

Possible evolution of a bouncing universe in cosmological models with non-minimally coupled scalar fields

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

Pozdeeva, Ekaterina O.; Vernov, Sergey Yu.; Skugoreva, Maria A.

2016-12-01

We explore dynamics of cosmological models with bounce solutions evolving on a spatially flat Friedmann-Lemaître-Robertson-Walker background. We consider cosmological models that contain the Hilbert-Einstein curvature term, the induced gravity term with a negative coupled constant, and even polynomial potentials of the scalar field. Bounce solutions with non-monotonic Hubble parameters have been obtained and analyzed. The case when the scalar field has the conformal coupling and the Higgs-like potential with an opposite sign is studied in detail. In this model the evolution of the Hubble parameter of the bounce solution essentially depends on the sign of the cosmological constant.

A COMPARATIVE ANALYSIS OF THE SUPERNOVA LEGACY SURVEY SAMPLE WITH ΛCDM AND THE R{sub h}=ct UNIVERSE

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

Wei, Jun-Jie; Wu, Xue-Feng; Melia, Fulvio

The use of Type Ia supernovae (SNe Ia) has thus far produced the most reliable measurement of the expansion history of the universe, suggesting that ΛCDM offers the best explanation for the redshift–luminosity distribution observed in these events. However, analysis of other kinds of sources, such as cosmic chronometers, gamma-ray bursts, and high-z quasars, conflicts with this conclusion, indicating instead that the constant expansion rate implied by the R{sub h} = ct universe is a better fit to the data. The central difficulty with the use of SNe Ia as standard candles is that one must optimize three or fourmore » nuisance parameters characterizing supernova (SN) luminosities simultaneously with the parameters of an expansion model. Hence, in comparing competing models, one must reduce the data independently for each. We carry out such a comparison of ΛCDM and the R{sub h} = ct universe using the SN Legacy Survey sample of 252 SN events, and show that each model fits its individually reduced data very well. However, since R{sub h} = ct has only one free parameter (the Hubble constant), it follows from a standard model selection technique that it is to be preferred over ΛCDM, the minimalist version of which has three (the Hubble constant, the scaled matter density, and either the spatial curvature constant or the dark energy equation-of-state parameter). We estimate using the Bayes Information Criterion that in a pairwise comparison, the likelihood of R{sub h} = ct is ∼90%, compared with only ∼10% for a minimalist form of ΛCDM, in which dark energy is simply a cosmological constant. Compared to R{sub h} = ct, versions of the standard model with more elaborate parametrizations of dark energy are judged to be even less likely.« less

Predicting heavy metals' adsorption edges and adsorption isotherms on MnO2 with the parameters determined from Langmuir kinetics.

PubMed

Hu, Qinghai; Xiao, Zhongjin; Xiong, Xinmei; Zhou, Gongming; Guan, Xiaohong

2015-01-01

Although surface complexation models have been widely used to describe the adsorption of heavy metals, few studies have verified the feasibility of modeling the adsorption kinetics, edge, and isotherm data with one pH-independent parameter. A close inspection of the derivation process of Langmuir isotherm revealed that the equilibrium constant derived from the Langmuir kinetic model, KS-kinetic, is theoretically equivalent to the adsorption constant in Langmuir isotherm, KS-Langmuir. The modified Langmuir kinetic model (MLK model) and modified Langmuir isotherm model (MLI model) incorporating pH factor were developed. The MLK model was employed to simulate the adsorption kinetics of Cu(II), Co(II), Cd(II), Zn(II) and Ni(II) on MnO2 at pH3.2 or 3.3 to get the values of KS-kinetic. The adsorption edges of heavy metals could be modeled with the modified metal partitioning model (MMP model), and the values of KS-Langmuir were obtained. The values of KS-kinetic and KS-Langmuir are very close to each other, validating that the constants obtained by these two methods are basically the same. The MMP model with KS-kinetic constants could predict the adsorption edges of heavy metals on MnO2 very well at different adsorbent/adsorbate concentrations. Moreover, the adsorption isotherms of heavy metals on MnO2 at various pH levels could be predicted reasonably well by the MLI model with the KS-kinetic constants. Copyright © 2014. Published by Elsevier B.V.

Sorption testing and generalized composite surface complexation models for determining uranium sorption parameters at a proposed in-situ recovery site

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

Johnson, Raymond H.; Truax, Ryan A.; Lankford, David A.

Solid-phase iron concentrations and generalized composite surface complexation models were used to evaluate procedures in determining uranium sorption on oxidized aquifer material at a proposed U in situ recovery (ISR) site. At the proposed Dewey Burdock ISR site in South Dakota, USA, oxidized aquifer material occurs downgradient of the U ore zones. Solid-phase Fe concentrations did not explain our batch sorption test results,though total extracted Fe appeared to be positively correlated with overall measured U sorption. Batch sorption test results were used to develop generalized composite surface complexation models that incorporated the full genericsorption potential of each sample, without detailedmore » mineralogiccharacterization. The resultant models provide U sorption parameters (site densities and equilibrium constants) for reactive transport modeling. The generalized composite surface complexation sorption models were calibrated to batch sorption data from three oxidized core samples using inverse modeling, and gave larger sorption parameters than just U sorption on the measured solidphase Fe. These larger sorption parameters can significantly influence reactive transport modeling, potentially increasing U attenuation. Because of the limited number of calibration points, inverse modeling required the reduction of estimated parameters by fixing two parameters. The best-fit models used fixed values for equilibrium constants, with the sorption site densities being estimated by the inversion process. While these inverse routines did provide best-fit sorption parameters, local minima and correlated parameters might require further evaluation. Despite our limited number of proxy samples, the procedures presented provide a valuable methodology to consider for sites where metal sorption parameters are required. Furthermore, these sorption parameters can be used in reactive transport modeling to assess downgradient metal attenuation, especially when no other calibration data are available, such as at proposed U ISR sites.« less

Sorption testing and generalized composite surface complexation models for determining uranium sorption parameters at a proposed in-situ recovery site

DOE PAGES

Johnson, Raymond H.; Truax, Ryan A.; Lankford, David A.; ...

2016-02-03

Solid-phase iron concentrations and generalized composite surface complexation models were used to evaluate procedures in determining uranium sorption on oxidized aquifer material at a proposed U in situ recovery (ISR) site. At the proposed Dewey Burdock ISR site in South Dakota, USA, oxidized aquifer material occurs downgradient of the U ore zones. Solid-phase Fe concentrations did not explain our batch sorption test results,though total extracted Fe appeared to be positively correlated with overall measured U sorption. Batch sorption test results were used to develop generalized composite surface complexation models that incorporated the full genericsorption potential of each sample, without detailedmore » mineralogiccharacterization. The resultant models provide U sorption parameters (site densities and equilibrium constants) for reactive transport modeling. The generalized composite surface complexation sorption models were calibrated to batch sorption data from three oxidized core samples using inverse modeling, and gave larger sorption parameters than just U sorption on the measured solidphase Fe. These larger sorption parameters can significantly influence reactive transport modeling, potentially increasing U attenuation. Because of the limited number of calibration points, inverse modeling required the reduction of estimated parameters by fixing two parameters. The best-fit models used fixed values for equilibrium constants, with the sorption site densities being estimated by the inversion process. While these inverse routines did provide best-fit sorption parameters, local minima and correlated parameters might require further evaluation. Despite our limited number of proxy samples, the procedures presented provide a valuable methodology to consider for sites where metal sorption parameters are required. Furthermore, these sorption parameters can be used in reactive transport modeling to assess downgradient metal attenuation, especially when no other calibration data are available, such as at proposed U ISR sites.« less

Evaluation of kinetic constants of biomolecular interaction on optical surface plasmon resonance sensor with Newton Iteration Method

NASA Astrophysics Data System (ADS)

Zhao, Yuanyuan; Jiang, Guoliang; Hu, Jiandong; Hu, Fengjiang; Wei, Jianguang; Shi, Liang

2010-10-01

In the immunology, there are two important types of biomolecular interaction: antigens-antibodies and receptors-ligands. Monitoring the response rate and affinity of biomolecular interaction can help analyze the protein function, drug discover, genomics and proteomics research. Moreover the association rate constant and dissociation rate constant of receptors-ligands are the important parameters for the study of signal transmission between cells. Recent advances in bioanalyzer instruments have greatly simplified the measurement of the kinetics of molecular interactions. Non-destructive and real-time monitoring the response to evaluate the parameters between antigens and antibodies can be performed by using optical surface plasmon resonance (SPR) biosensor technology. This technology provides a quantitative analysis that is carried out rapidly with label-free high-throughput detection using the binding curves of antigens-antibodies. Consequently, the kinetic parameters of interaction between antigens and antibodies can be obtained. This article presents a low cost integrated SPR-based bioanalyzer (HPSPR-6000) designed by ourselves. This bioanalyzer is mainly composed of a biosensor TSPR1K23, a touch-screen monitor, a microprocessor PIC24F128, a microflow cell with three channels, a clamp and a photoelectric conversion device. To obtain the kinetic parameters, sensorgrams may be modeled using one of several binding models provided with BIAevaluation software 3.0, SensiQ or Autolab. This allows calculation of the association rate constant (ka) and the dissociation rate constant (kd). The ratio of ka to kd can be used to estimate the equilibrium constant. Another kind is the analysis software OriginPro, which can process the obtained data by nonlinear fitting and then get some correlative parameters, but it can't be embedded into the bioanalyzer, so the bioanalyzer don't support the use of OriginPro. This paper proposes a novel method to evaluate the kinetic parameters of biomolecular interaction by using Newton Iteration Method and Least Squares Method. First, the pseudo first order kinetic model of biomolecular interaction was established. Then the data of molecular interaction of HBsAg and HBsAb was obtained by bioanalyzer. Finally, we used the optical SPR bioanalyzer software which was written by ourselves to make nonlinear fit about the association and dissociation curves. The correlation coefficient R-squared is 0.99229 and 0.99593, respectively. Furthermore, the kinetic parameters and affinity constants were evaluated using the obtained data from the fitting results.

Maximum Mass of Hybrid Stars in the Quark Bag Model

NASA Astrophysics Data System (ADS)

Alaverdyan, G. B.; Vartanyan, Yu. L.

2017-12-01

The effect of model parameters in the equation of state for quark matter on the magnitude of the maximum mass of hybrid stars is examined. Quark matter is described in terms of the extended MIT bag model including corrections for one-gluon exchange. For nucleon matter in the range of densities corresponding to the phase transition, a relativistic equation of state is used that is calculated with two-particle correlations taken into account based on using the Bonn meson-exchange potential. The Maxwell construction is used to calculate the characteristics of the first order phase transition and it is shown that for a fixed value of the strong interaction constant αs, the baryon concentrations of the coexisting phases grow monotonically as the bag constant B increases. It is shown that for a fixed value of the strong interaction constant αs, the maximum mass of a hybrid star increases as the bag constant B decreases. For a given value of the bag parameter B, the maximum mass rises as the strong interaction constant αs increases. It is shown that the configurations of hybrid stars with maximum masses equal to or exceeding the mass of the currently known most massive pulsar are possible for values of the strong interaction constant αs > 0.6 and sufficiently low values of the bag constant.

Running vacuum in the Universe and the time variation of the fundamental constants of Nature

NASA Astrophysics Data System (ADS)

Fritzsch, Harald; Solà, Joan; Nunes, Rafael C.

2017-03-01

We compute the time variation of the fundamental constants (such as the ratio of the proton mass to the electron mass, the strong coupling constant, the fine-structure constant and Newton's constant) within the context of the so-called running vacuum models (RVMs) of the cosmic evolution. Recently, compelling evidence has been provided that these models are able to fit the main cosmological data (SNIa+BAO+H(z)+LSS+BBN+CMB) significantly better than the concordance Λ CDM model. Specifically, the vacuum parameters of the RVM (i.e. those responsible for the dynamics of the vacuum energy) prove to be nonzero at a confidence level ≳ 3σ . Here we use such remarkable status of the RVMs to make definite predictions on the cosmic time variation of the fundamental constants. It turns out that the predicted variations are close to the present observational limits. Furthermore, we find that the time evolution of the dark matter particle masses should be crucially involved in the total mass variation of our Universe. A positive measurement of this kind of effects could be interpreted as strong support to the "micro-macro connection" (viz. the dynamical feedback between the evolution of the cosmological parameters and the time variation of the fundamental constants of the microscopic world), previously proposed by two of us (HF and JS).

Constitutive modeling of the human Anterior Cruciate Ligament (ACL) under uniaxial loading using viscoelastic prony series and hyperelastic five parameter Mooney-Rivlin model

NASA Astrophysics Data System (ADS)

Chakraborty, Souvik; Mondal, Debabrata; Motalab, Mohammad

2016-07-01

In this present study, the stress-strain behavior of the Human Anterior Cruciate Ligament (ACL) is studied under uniaxial loads applied with various strain rates. Tensile testing of the human ACL samples requires state of the art test facilities. Furthermore, difficulty in finding human ligament for testing purpose results in very limited archival data. Nominal Stress vs. deformation gradient plots for different strain rates, as found in literature, is used to model the material behavior either as a hyperelastic or as a viscoelastic material. The well-known five parameter Mooney-Rivlin constitutivemodel for hyperelastic material and the Prony Series model for viscoelastic material are used and the objective of the analyses comprises of determining the model constants and their variation-trend with strain rates for the Human Anterior Cruciate Ligament (ACL) material using the non-linear curve fitting tool. The relationship between the model constants and strain rate, using the Hyperelastic Mooney-Rivlin model, has been obtained. The variation of the values of each coefficient with strain rates, obtained using Hyperelastic Mooney-Rivlin model are then plotted and variation of the values with strain rates are obtained for all the model constants. These plots are again fitted using the software package MATLAB and a power law relationship between the model constants and strain rates is obtained for each constant. The obtained material model for Human Anterior Cruciate Ligament (ACL) material can be implemented in any commercial finite element software package for stress analysis.

Anisotropic effects on constitutive model parameters of aluminum alloys

NASA Astrophysics Data System (ADS)

Brar, Nachhatter S.; Joshi, Vasant S.

2012-03-01

Simulation of low velocity impact on structures or high velocity penetration in armor materials heavily rely on constitutive material models. Model constants are determined from tension, compression or torsion stress-strain at low and high strain rates at different temperatures. These model constants are required input to computer codes (LS-DYNA, DYNA3D or SPH) to accurately simulate fragment impact on structural components made of high strength 7075-T651 aluminum alloy. Johnson- Cook model constants determined for Al7075-T651 alloy bar material failed to simulate correctly the penetration into 1' thick Al-7075-T651plates. When simulation go well beyond minor parameter tweaking and experimental results show drastically different behavior it becomes important to determine constitutive parameters from the actual material used in impact/penetration experiments. To investigate anisotropic effects on the yield/flow stress of this alloy quasi-static and high strain rate tensile tests were performed on specimens fabricated in the longitudinal "L", transverse "T", and thickness "TH" directions of 1' thick Al7075 Plate. While flow stress at a strain rate of ~1/s as well as ~1100/s in the thickness and transverse directions are lower than the longitudinal direction. The flow stress in the bar was comparable to flow stress in the longitudinal direction of the plate. Fracture strain data from notched tensile specimens fabricated in the L, T, and Thickness directions of 1' thick plate are used to derive fracture constants.

LAGEOS geodetic analysis-SL7.1

NASA Technical Reports Server (NTRS)

Smith, D. E.; Kolenkiewicz, R.; Dunn, P. J.; Klosko, S. M.; Robbins, J. W.; Torrence, M. H.; Williamson, R. G.; Pavlis, E. C.; Douglas, N. B.; Fricke, S. K.

1991-01-01

Laser ranging measurements to the LAGEOS satellite from 1976 through 1989 are related via geodetic and orbital theories to a variety of geodetic and geodynamic parameters. The SL7.1 analyses are explained of this data set including the estimation process for geodetic parameters such as Earth's gravitational constant (GM), those describing the Earth's elasticity properties (Love numbers), and the temporally varying geodetic parameters such as Earth's orientation (polar motion and Delta UT1) and tracking site horizontal tectonic motions. Descriptions of the reference systems, tectonic models, and adopted geodetic constants are provided; these are the framework within which the SL7.1 solution takes place. Estimates of temporal variations in non-conservative force parameters are included in these SL7.1 analyses as well as parameters describing the orbital states at monthly epochs. This information is useful in further refining models used to describe close-Earth satellite behavior. Estimates of intersite motions and individual tracking site motions computed through the network adjustment scheme are given. Tabulations of tracking site eccentricities, data summaries, estimated monthly orbital and force model parameters, polar motion, Earth rotation, and tracking station coordinate results are also provided.

Estimation of Physical Properties and Chemical Reactivity Parameters of Organic Compounds for Environmental Modeling by SPARC

EPA Science Inventory

Mathematical models for predicting the transport and fate of pollutants in the environment require reactivity parameter values that is value of the physical and chemical constants that govern reactivity. Although empirical structure activity relationships have been developed th...

Thermodynamic models for vapor-liquid equilibria of nitrogen + oxygen + carbon dioxide at low temperatures

NASA Astrophysics Data System (ADS)

Vrabec, Jadran; Kedia, Gaurav Kumar; Buchhauser, Ulrich; Meyer-Pittroff, Roland; Hasse, Hans

2009-02-01

For the design and optimization of CO 2 recovery from alcoholic fermentation processes by distillation, models for vapor-liquid equilibria (VLE) are needed. Two such thermodynamic models, the Peng-Robinson equation of state (EOS) and a model based on Henry's law constants, are proposed for the ternary mixture N 2 + O 2 + CO 2. Pure substance parameters of the Peng-Robinson EOS are taken from the literature, whereas the binary parameters of the Van der Waals one-fluid mixing rule are adjusted to experimental binary VLE data. The Peng-Robinson EOS describes both binary and ternary experimental data well, except at high pressures approaching the critical region. A molecular model is validated by simulation using binary and ternary experimental VLE data. On the basis of this model, the Henry's law constants of N 2 and O 2 in CO 2 are predicted by molecular simulation. An easy-to-use thermodynamic model, based on those Henry's law constants, is developed to reliably describe the VLE in the CO 2-rich region.

Ratios of Vector and Pseudoscalar B Meson Decay Constants in the Light-Cone Quark Model

NASA Astrophysics Data System (ADS)

Dhiman, Nisha; Dahiya, Harleen

2018-05-01

We study the decay constants of pseudoscalar and vector B meson in the framework of light-cone quark model. We apply the variational method to the relativistic Hamiltonian with the Gaussian-type trial wave function to obtain the values of β (scale parameter). Then with the help of known values of constituent quark masses, we obtain the numerical results for the decay constants f_P and f_V, respectively. We compare our numerical results with the existing experimental data.

Uncertainty analysis of multi-rate kinetics of uranium desorption from sediments

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

Zhang, Xiaoying; Liu, Chongxuan; Hu, Bill X.

2014-01-01

A multi-rate expression for uranyl [U(VI)] surface complexation reactions has been proposed to describe diffusion-limited U(VI) sorption/desorption in heterogeneous subsurface sediments. An important assumption in the rate expression is that its rate constants follow a certain type probability distribution. In this paper, a Bayes-based, Differential Evolution Markov Chain method was used to assess the distribution assumption and to analyze parameter and model structure uncertainties. U(VI) desorption from a contaminated sediment at the US Hanford 300 Area, Washington was used as an example for detail analysis. The results indicated that: 1) the rate constants in the multi-rate expression contain uneven uncertaintiesmore » with slower rate constants having relative larger uncertainties; 2) the lognormal distribution is an effective assumption for the rate constants in the multi-rate model to simualte U(VI) desorption; 3) however, long-term prediction and its uncertainty may be significantly biased by the lognormal assumption for the smaller rate constants; and 4) both parameter and model structure uncertainties can affect the extrapolation of the multi-rate model with a larger uncertainty from the model structure. The results provide important insights into the factors contributing to the uncertainties of the multi-rate expression commonly used to describe the diffusion or mixing-limited sorption/desorption of both organic and inorganic contaminants in subsurface sediments.« less

Numerical experiments on short-term meteorological effects on solar variability

NASA Technical Reports Server (NTRS)

Somerville, R. C. J.; Hansen, J. E.; Stone, P. H.; Quirk, W. J.; Lacis, A. A.

1975-01-01

A set of numerical experiments was conducted to test the short-range sensitivity of a large atmospheric general circulation model to changes in solar constant and ozone amount. On the basis of the results of 12-day sets of integrations with very large variations in these parameters, it is concluded that realistic variations would produce insignificant meteorological effects. Any causal relationships between solar variability and weather, for time scales of two weeks or less, rely upon changes in parameters other than solar constant or ozone amounts, or upon mechanisms not yet incorporated in the model.

Non-Abelian cosmic string in the Starobinsky model of gravity

NASA Astrophysics Data System (ADS)

Morais Graça, J. P.; de Pádua Santos, A.; Bezerra de Mello, Eugênio R.; Bezerra, V. B.

In this paper, we analyze numerically the behavior of the solutions corresponding to a non-Abelian cosmic string in the framework of the Starobinsky model, i.e. where f(R) = R + ζR2. We perform the calculations for both an asymptotically flat and asymptotically (anti)-de Sitter spacetimes. We found that the angular deficit generated by the string decreases as the parameter ζ increases, in the case of a null cosmological constant. For a positive cosmological constant, we found that the cosmic horizon is affected in a nontrivial way by the parameter ζ.

Study of. lambda. parameters and crossover phenomena in SU(N) x SU(N) sigma models in two dimensions

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

Shigemitsu, J; Kogut, J B

1981-01-01

The spin system analogues of recent studies of the string tension and ..lambda.. parameters of SU(N) gauge theories in 4 dimensions are carried out for the SU(N) x SU(N) and O(N) models in 2 dimensions. The relations between the ..lambda.. parameters of both the Euclidean and Hamiltonian formulation of the lattice models and the ..lambda.. parameter of the continuum models are obtained. The one loop finite renormalization of the speed of light in the lattice Hamiltonian formulations of the O(N) and SU(N) x SU(N) models is calculated. Strong coupling calculations of the mass gaps of these spin models are donemore » for all N and the constants of proportionality between the gap and the ..lambda.. parameter of the continuum models are obtained. These results are contrasted with similar calculations for the SU(N) gauge models in 3+1 dimensions. Identifying suitable coupling constants for discussing the N ..-->.. infinity limits, the numerical results suggest that the crossover from weak to strong coupling in the lattice O(N) models becomes less abrupt as N increases while the crossover for the SU(N) x SU(N) models becomes more abrupt. The crossover in SU(N) gauge theories also becomes more abrupt with increasing N, however, at an even greater rate than in the SU(N) x SU(N) spin models.« less

GaAs, AlAs, and AlxGa1-xAs: Material parameters for use in research and device applications

NASA Astrophysics Data System (ADS)

Adachi, Sadao

1985-08-01

The AlxGa1-xAs/GaAs heterostructure system is potentially useful material for high-speed digital, high-frequency microwave, and electro-optic device applications. Even though the basic AlxGa1-xAs/GaAs heterostructure concepts are understood at this time, some practical device parameters in this system have been hampered by a lack of definite knowledge of many material parameters. Recently, Blakemore has presented numerical and graphical information about many of the physical and electronic properties of GaAs [J. S. Blakemore, J. Appl. Phys. 53, R123 (1982)]. The purpose of this review is (i) to obtain and clarify all the various material parameters of AlxGa1-xAs alloy from a systematic point of view, and (ii) to present key properties of the material parameters for a variety of research works and device applications. A complete set of material parameters are considered in this review for GaAs, AlAs, and AlxGa1-xAs alloys. The model used is based on an interpolation scheme and, therefore, necessitates known values of the parameters for the related binaries (GaAs and AlAs). The material parameters and properties considered in the present review can be classified into sixteen groups: (1) lattice constant and crystal density, (2) melting point, (3) thermal expansion coefficient, (4) lattice dynamic properties, (5) lattice thermal properties, (6) electronic-band structure, (7) external perturbation effects on the band-gap energy, (8) effective mass, (9) deformation potential, (10) static and high-frequency dielectric constants, (11) magnetic susceptibility, (12) piezoelectric constant, (13) Fröhlich coupling parameter, (14) electron transport properties, (15) optical properties, and (16) photoelastic properties. Of particular interest is the deviation of material parameters from linearity with respect to the AlAs mole fraction x. Some material parameters, such as lattice constant, crystal density, thermal expansion coefficient, dielectric constant, and elastic constant, obey Vegard's rule well. Other parameters, e.g., electronic-band energy, lattice vibration (phonon) energy, Debye temperature, and impurity ionization energy, exhibit quadratic dependence upon the AlAs mole fraction. However, some kinds of the material parameters, e.g., lattice thermal conductivity, exhibit very strong nonlinearity with respect to x, which arises from the effects of alloy disorder. It is found that the present model provides generally acceptable parameters in good agreement with the existing experimental data. A detailed discussion is also given of the acceptability of such interpolated parameters from an aspect of solid-state physics. Key properties of the material parameters for use in research work and a variety of AlxGa1-xAs/GaAs device applications are also discussed in detail.

Anisotropic strange star with Tolman V potential

NASA Astrophysics Data System (ADS)

Shee, Dibyendu; Deb, Debabrata; Ghosh, Shounak; Ray, Saibal; Guha, B. K.

In this paper, we present a strange stellar model using Tolman V-type metric potential employing simplest form of the MIT bag equation of state (EOS) for the quark matter. We consider that the stellar system is spherically symmetric, compact and made of an anisotropic fluid. Choosing different values of n we obtain exact solutions of the Einstein field equations and finally conclude that for a specific value of the parameter n = 1/2, we find physically acceptable features of the stellar object. Further, we conduct different physical tests, viz., the energy condition, generalized Tolman-Oppeheimer-Volkoff (TOV) equation, Herrera’s cracking concept, etc., to confirm the physical validity of the presented model. Matching conditions provide expressions for different constants whereas maximization of the anisotropy parameter provides bag constant. By using the observed data of several compact stars, we derive exact values of some of the physical parameters and exhibit their features in tabular form. It is to note that our predicted value of the bag constant satisfies the report of CERN-SPS and RHIC.

Time varying G and \\varLambda cosmology in f(R,T) gravity theory

NASA Astrophysics Data System (ADS)

Tiwari, R. K.; Beesham, A.; Singh, Rameshwar; Tiwari, L. K.

2017-08-01

We have studied the time dependence of the gravitational constant G and cosmological constant Λ by taking into account an anisotropic and homogeneous Bianchi type-I space-time in the framework of the modified f(R,T) theory of gravity proposed by Harko et al. (Phys. Rev. D 84:024020, 2011). For a specific choice of f(R,T)=R+2f(T) where f(T)=-λ T, two solutions of the modified gravity field equations have been generated with the help of a variation law between the expansion anisotropy ({σ}/{θ}) and the scale factor (S), together with a general non-linear equation of state. The solution for m≠3 corresponds to singular model of the universe whereas the solution for m=3 represents a non-singular model. We infer that the models entail a constant value of the deceleration parameter. A careful analysis of all the physical parameters of the models has also been carried out.

Pharmacokinetic modelling of intravenous tobramycin in adolescent and adult patients with cystic fibrosis using the nonparametric expectation maximization (NPEM) algorithm.

PubMed

Touw, D J; Vinks, A A; Neef, C

1997-06-01

The availability of personal computer programs for individualizing drug dosage regimens has stimulated the interest in modelling population pharmacokinetics. Data from 82 adolescent and adult patients with cystic fibrosis (CF) who were treated with intravenous tobramycin because of an exacerbation of their pulmonary infection were analysed with a non-parametric expectation maximization (NPEM) algorithm. This algorithm estimates the entire discrete joint probability density of the pharmacokinetic parameters. It also provides traditional parametric statistics such as the means, standard deviation, median, covariances and correlations among the various parameters. It also provides graphic-2- and 3-dimensional representations of the marginal densities of the parameters investigated. Several models for intravenous tobramycin in adolescent and adult patients with CF were compared. Covariates were total body weight (for the volume of distribution) and creatinine clearance (for the total body clearance and elimination rate). Because of lack of data on patients with poor renal function, restricted models with non-renal clearance and the non-renal elimination rate constant fixed at literature values of 0.15 L/h and 0.01 h-1 were also included. In this population, intravenous tobramycin could be best described by median (+/-dispersion factor) volume of distribution per unit of total body weight of 0.28 +/- 0.05 L/kg, elimination rate constant of 0.25 +/- 0.10 h-1 and elimination rate constant per unit of creatinine clearance of 0.0008 +/- 0.0009 h-1/(ml/min/1.73 m2). Analysis of populations of increasing size showed that using a restricted model with a non-renal elimination rate constant fixed at 0.01 h-1, a model based on a population of only 10 to 20 patients, contained parameter values similar to those of the entire population and, using the full model, a larger population (at least 40 patients) was needed.

Modeling Nitrogen Dynamics in a Waste Stabilization Pond System Using Flexible Modeling Environment with MCMC.

PubMed

Mukhtar, Hussnain; Lin, Yu-Pin; Shipin, Oleg V; Petway, Joy R

2017-07-12

This study presents an approach for obtaining realization sets of parameters for nitrogen removal in a pilot-scale waste stabilization pond (WSP) system. The proposed approach was designed for optimal parameterization, local sensitivity analysis, and global uncertainty analysis of a dynamic simulation model for the WSP by using the R software package Flexible Modeling Environment (R-FME) with the Markov chain Monte Carlo (MCMC) method. Additionally, generalized likelihood uncertainty estimation (GLUE) was integrated into the FME to evaluate the major parameters that affect the simulation outputs in the study WSP. Comprehensive modeling analysis was used to simulate and assess nine parameters and concentrations of ON-N, NH₃-N and NO₃-N. Results indicate that the integrated FME-GLUE-based model, with good Nash-Sutcliffe coefficients (0.53-0.69) and correlation coefficients (0.76-0.83), successfully simulates the concentrations of ON-N, NH₃-N and NO₃-N. Moreover, the Arrhenius constant was the only parameter sensitive to model performances of ON-N and NH₃-N simulations. However, Nitrosomonas growth rate, the denitrification constant, and the maximum growth rate at 20 °C were sensitive to ON-N and NO₃-N simulation, which was measured using global sensitivity.

The validation of a generalized Hooke's law for coronary arteries.

PubMed

Wang, Chong; Zhang, Wei; Kassab, Ghassan S

2008-01-01

The exponential form of constitutive model is widely used in biomechanical studies of blood vessels. There are two main issues, however, with this model: 1) the curve fits of experimental data are not always satisfactory, and 2) the material parameters may be oversensitive. A new type of strain measure in a generalized Hooke's law for blood vessels was recently proposed by our group to address these issues. The new model has one nonlinear parameter and six linear parameters. In this study, the stress-strain equation is validated by fitting the model to experimental data of porcine coronary arteries. Material constants of left anterior descending artery and right coronary artery for the Hooke's law were computed with a separable nonlinear least-squares method with an excellent goodness of fit. A parameter sensitivity analysis shows that the stability of material constants is improved compared with the exponential model and a biphasic model. A boundary value problem was solved to demonstrate that the model prediction can match the measured arterial deformation under experimental loading conditions. The validated constitutive relation will serve as a basis for the solution of various boundary value problems of cardiovascular biomechanics.

Optimal trace inequality constants for interior penalty discontinuous Galerkin discretisations of elliptic operators using arbitrary elements with non-constant Jacobians

NASA Astrophysics Data System (ADS)

Owens, A. R.; Kópházi, J.; Eaton, M. D.

2017-12-01

In this paper, a new method to numerically calculate the trace inequality constants, which arise in the calculation of penalty parameters for interior penalty discretisations of elliptic operators, is presented. These constants are provably optimal for the inequality of interest. As their calculation is based on the solution of a generalised eigenvalue problem involving the volumetric and face stiffness matrices, the method is applicable to any element type for which these matrices can be calculated, including standard finite elements and the non-uniform rational B-splines of isogeometric analysis. In particular, the presented method does not require the Jacobian of the element to be constant, and so can be applied to a much wider variety of element shapes than are currently available in the literature. Numerical results are presented for a variety of finite element and isogeometric cases. When the Jacobian is constant, it is demonstrated that the new method produces lower penalty parameters than existing methods in the literature in all cases, which translates directly into savings in the solution time of the resulting linear system. When the Jacobian is not constant, it is shown that the naive application of existing approaches can result in penalty parameters that do not guarantee coercivity of the bilinear form, and by extension, the stability of the solution. The method of manufactured solutions is applied to a model reaction-diffusion equation with a range of parameters, and it is found that using penalty parameters based on the new trace inequality constants result in better conditioned linear systems, which can be solved approximately 11% faster than those produced by the methods from the literature.

Global modeling of land water and energy balances. Part II: Land-characteristic contributions to spatial variability

USGS Publications Warehouse

Milly, P.C.D.; Shmakin, A.B.

2002-01-01

Land water and energy balances vary around the globe because of variations in amount and temporal distribution of water and energy supplies and because of variations in land characteristics. The former control (water and energy supplies) explains much more variance in water and energy balances than the latter (land characteristics). A largely untested hypothesis underlying most global models of land water and energy balance is the assumption that parameter values based on estimated geographic distributions of soil and vegetation characteristics improve the performance of the models relative to the use of globally constant land parameters. This hypothesis is tested here through an evaluation of the improvement in performance of one land model associated with the introduction of geographic information on land characteristics. The capability of the model to reproduce annual runoff ratios of large river basins, with and without information on the global distribution of albedo, rooting depth, and stomatal resistance, is assessed. To allow a fair comparison, the model is calibrated in both cases by adjusting globally constant scale factors for snow-free albedo, non-water-stressed bulk stomatal resistance, and critical root density (which is used to determine effective root-zone depth). The test is made in stand-alone mode, that is, using prescribed radiative and atmospheric forcing. Model performance is evaluated by comparing modeled runoff ratios with observed runoff ratios for a set of basins where precipitation biases have been shown to be minimal. The withholding of information on global variations in these parameters leads to a significant degradation of the capability of the model to simulate the annual runoff ratio. An additional set of optimization experiments, in which the parameters are examined individually, reveals that the stomatal resistance is, by far, the parameter among these three whose spatial variations add the most predictive power to the model in stand-alone mode. Further single-parameter experiments with surface roughness length, available water capacity, thermal conductivity, and thermal diffusivity show very little sensitivity to estimated global variations in these parameters. Finally, it is found that even the constant-parameter model performance exceeds that of the Budyko and generalized Turc-Pike water-balance equations, suggesting that the model benefits also from information on the geographic variability of the temporal structure of forcing.

Inflation with a smooth constant-roll to constant-roll era transition

NASA Astrophysics Data System (ADS)

Odintsov, S. D.; Oikonomou, V. K.

2017-07-01

In this paper, we study canonical scalar field models, with a varying second slow-roll parameter, that allow transitions between constant-roll eras. In the models with two constant-roll eras, it is possible to avoid fine-tunings in the initial conditions of the scalar field. We mainly focus on the stability of the resulting solutions, and we also investigate if these solutions are attractors of the cosmological system. We shall calculate the resulting scalar potential and, by using a numerical approach, we examine the stability and attractor properties of the solutions. As we show, the first constant-roll era is dynamically unstable towards linear perturbations, and the cosmological system is driven by the attractor solution to the final constant-roll era. As we demonstrate, it is possible to have a nearly scale-invariant power spectrum of primordial curvature perturbations in some cases; however, this is strongly model dependent and depends on the rate of the final constant-roll era. Finally, we present, in brief, the essential features of a model that allows oscillations between constant-roll eras.

Tilted Bianchi type-I wet dark fluid model in Saez and Ballester theory

NASA Astrophysics Data System (ADS)

Sahu, S. K.; Tole, T. T.; Balcha, M.

2018-06-01

Tilted Bianchi-I wet dark fluid cosmological model is investigated in Saez and Ballester scalar theory of gravitation. Background cosmologies are obtained for a constant deceleration parameter. We consider a linear relationship between the shear scalar and the expansion scalar. We have discussed some physical and geometrical properties of the models. In our models, equation of state of the dark energy is observed to behave like a cosmological constant at late times.

Roll paper pilot. [mathematical model for predicting pilot rating of aircraft in roll task

NASA Technical Reports Server (NTRS)

Naylor, F. R.; Dillow, J. D.; Hannen, R. A.

1973-01-01

A mathematical model for predicting the pilot rating of an aircraft in a roll task is described. The model includes: (1) the lateral-directional aircraft equations of motion; (2) a stochastic gust model; (3) a pilot model with two free parameters; and (4) a pilot rating expression that is a function of rms roll angle and the pilot lead time constant. The pilot gain and lead time constant are selected to minimize the pilot rating expression. The pilot parameters are then adjusted to provide a 20% stability margin and the adjusted pilot parameters are used to compute a roll paper pilot rating of the aircraft/gust configuration. The roll paper pilot rating was computed for 25 aircraft/gust configurations. A range of actual ratings from 2 to 9 were encountered and the roll paper pilot ratings agree quite well with the actual ratings. In addition there is good correlation between predicted and measured rms roll angle.

Holographic dark energy with cosmological constant

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

Hu, Yazhou; Li, Nan; Zhang, Zhenhui

2015-08-01

Inspired by the multiverse scenario, we study a heterotic dark energy model in which there are two parts, the first being the cosmological constant and the second being the holographic dark energy, thus this model is named the ΛHDE model. By studying the ΛHDE model theoretically, we find that the parameters d and Ω{sub hde} are divided into a few domains in which the fate of the universe is quite different. We investigate dynamical behaviors of this model, and especially the future evolution of the universe. We perform fitting analysis on the cosmological parameters in the ΛHDE model by usingmore » the recent observational data. We find the model yields χ{sup 2}{sub min}=426.27 when constrained by Planck+SNLS3+BAO+HST, comparable to the results of the HDE model (428.20) and the concordant ΛCDM model (431.35). At 68.3% CL, we obtain −0.07« less

Diagnosing ΛHDE model with statefinder hierarchy and fractional growth parameter

NASA Astrophysics Data System (ADS)

Zhou, LanJun; Wang, Shuang

2016-07-01

Recently, a new dark energy model called ΛHDE was proposed. In this model, dark energy consists of two parts: cosmological constant Λ and holographic dark energy (HDE). Two key parameters of this model are the fractional density of cosmological constant ΩΛ0, and the dimensionless HDE parameter c. Since these two parameters determine the dynamical properties of DE and the destiny of universe, it is important to study the impacts of different values of ΩΛ0 and c on the ΛHDE model. In this paper, we apply various DE diagnostic tools to diagnose ΛHDE models with different values of ΩΛ0 and c; these tools include statefinder hierarchy {S 3 (1) , S 4 (1) }, fractional growth parameter ɛ, and composite null diagnostic (CND), which is a combination of {S 3 (1) , S 4 (1) } and ɛ. We find that: (1) adopting different values of ΩΛ0 only has quantitative impacts on the evolution of the ΛHDE model, while adopting different c has qualitative impacts; (2) compared with S 3 (1) , S 4 (1) can give larger differences among the cosmic evolutions of the ΛHDE model associated with different ΩΛ0 or different c; (3) compared with the case of using a single diagnostic, adopting a CND pair has much stronger ability to diagnose the ΛHDE model.

Observational constraints on holographic tachyonic dark energy in interaction with dark matter

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

Micheletti, Sandro M. R., E-mail: smrm@fma.if.usp.br

2010-05-01

We discuss an interacting tachyonic dark energy model in the context of the holographic principle. The potential of the holographic tachyon field in interaction with dark matter is constructed. The model results are compared with CMB shift parameter, baryonic acoustic oscilations, lookback time and the Constitution supernovae sample. The coupling constant of the model is compatible with zero, but dark energy is not given by a cosmological constant.

Constraining the phantom braneworld model from cosmic structure sizes

NASA Astrophysics Data System (ADS)

Bhattacharya, Sourav; Kousvos, Stefanos R.

2017-11-01

We consider the phantom braneworld model in the context of the maximum turnaround radius, RTA ,max, of a stable, spherical cosmic structure with a given mass. The maximum turnaround radius is the point where the attraction due to the central inhomogeneity gets balanced with the repulsion of the ambient dark energy, beyond which a structure cannot hold any mass, thereby giving the maximum upper bound on the size of a stable structure. In this work we derive an analytical expression of RTA ,max for this model using cosmological scalar perturbation theory. Using this we numerically constrain the parameter space, including a bulk cosmological constant and the Weyl fluid, from the mass versus observed size data for some nearby, nonvirial cosmic structures. We use different values of the matter density parameter Ωm, both larger and smaller than that of the Λ cold dark matter, as the input in our analysis. We show in particular, that (a) with a vanishing bulk cosmological constant the predicted upper bound is always greater than what is actually observed; a similar conclusion holds if the bulk cosmological constant is negative (b) if it is positive, the predicted maximum size can go considerably below than what is actually observed and owing to the involved nature of the field equations, it leads to interesting constraints on not only the bulk cosmological constant itself but on the whole parameter space of the theory.

COMPARISON OF IN VIVO DERIVED AND SCALED IN VITRO METABOLIC RATE CONSTANTS FOR SOME VOLATILE ORGANIC COMPOUNDS (VOCS)

EPA Science Inventory

The reliability of physiologically based pharmacokinetic (PBPK) models is directly related to the accuracy of the metabolic rate parameters used as model inputs. When metabolic rate parameters derived from in vivo experiments are unavailable, they can be estimated from in vitro d...

Novel Calibration Algorithm for a Three-Axis Strapdown Magnetometer

PubMed Central

Liu, Yan Xia; Li, Xi Sheng; Zhang, Xiao Juan; Feng, Yi Bo

2014-01-01

A complete error calibration model with 12 independent parameters is established by analyzing the three-axis magnetometer error mechanism. The said model conforms to an ellipsoid restriction, the parameters of the ellipsoid equation are estimated, and the ellipsoid coefficient matrix is derived. However, the calibration matrix cannot be determined completely, as there are fewer ellipsoid parameters than calibration model parameters. Mathematically, the calibration matrix derived from the ellipsoid coefficient matrix by a different matrix decomposition method is not unique, and there exists an unknown rotation matrix R between them. This paper puts forward a constant intersection angle method (angles between the geomagnetic field and gravitational field are fixed) to estimate R. The Tikhonov method is adopted to solve the problem that rounding errors or other errors may seriously affect the calculation results of R when the condition number of the matrix is very large. The geomagnetic field vector and heading error are further corrected by R. The constant intersection angle method is convenient and practical, as it is free from any additional calibration procedure or coordinate transformation. In addition, the simulation experiment indicates that the heading error declines from ±1° calibrated by classical ellipsoid fitting to ±0.2° calibrated by a constant intersection angle method, and the signal-to-noise ratio is 50 dB. The actual experiment exhibits that the heading error is further corrected from ±0.8° calibrated by the classical ellipsoid fitting to ±0.3° calibrated by a constant intersection angle method. PMID:24831110

Interaction of anisotropic dark energy fluid with perfect fluid in the presence of cosmological term Λ

NASA Astrophysics Data System (ADS)

Singh, S. Surendra

2018-05-01

Considering the locally rotationally symmetric (LRS) Bianchi type-I metric with cosmological constant Λ, Einstein’s field equations are discussed based on the background of anisotropic fluid. We assumed the condition A = B 1 m for the metric potentials A and B, where m is a positive constant to obtain the viable model of the Universe. It is found that Λ(t) is positive and inversely proportional to time. The values of matter-energy density Ωm, dark energy density ΩΛ and deceleration parameter q are found to be consistent with the values of WMAP observations. State finder parameters and anisotropic deviation parameter are also investigated. It is also observed that the derived model is an accelerating, shearing and non-rotating Universe. Some of the asymptotic and geometrical behaviors of the derived models are investigated with the age of the Universe.

Kinetics of bacterial phospholipase C activity at micellar interfaces: effect of substrate aggregate microstructure and a model for the kinetic parameters.

PubMed

Singh, Jasmeet; Ranganathan, Radha; Hajdu, Joseph

2008-12-25

Activity at micellar interfaces of bacterial phospholipase C from Bacillus cereus on phospholipids solubilized in micelles was investigated with the goal of elucidating the role of the interface microstructure and developing further an existing kinetic model. Enzyme kinetics and physicochemical characterization of model substrate aggregates were combined, thus enabling the interpretation of kinetics in the context of the interface. Substrates were diacylphosphatidylcholine of different acyl chain lengths in the form of mixed micelles with dodecyldimethylammoniopropanesulfonate. An early kinetic model, reformulated to reflect the interfacial nature of the kinetics, was applied to the kinetic data. A better method of data treatment is proposed, use of which makes the presence of microstructure effects quite transparent. Models for enzyme-micelle binding and enzyme-lipid binding are developed, and expressions incorporating the microstructural properties are derived for the enzyme-micelle dissociation constant K(s) and the interface Michaelis-Menten constant, K(M). Use of these expressions in the interface kinetic model brings excellent agreement between the kinetic data and the model. Numerical values for the thermodynamic and kinetic parameters are determined. Enzyme-lipid binding is found to be an activated process with an acyl chain length dependent free energy of activation that decreases with micelle lipid molar fraction with a coefficient of about -15RT and correlates with the tightness of molecular packing in the substrate aggregate. Thus, the physical insight obtained includes a model for the kinetic parameters that shows that these parameters depend on the substrate concentration and acyl chain length of the lipid. Enzyme-micelle binding is indicated to be hydrophobic and solvent mediated with a dissociation constant of 1.2 mM.

A Comparative Analysis of the Supernova Legacy Survey Sample With ΛCDM and the Rh=ct Universe

NASA Astrophysics Data System (ADS)

Wei, Jun-Jie; Wu, Xue-Feng; Melia, Fulvio; Maier, Robert S.

2015-03-01

The use of Type Ia supernovae (SNe Ia) has thus far produced the most reliable measurement of the expansion history of the universe, suggesting that ΛCDM offers the best explanation for the redshift-luminosity distribution observed in these events. However, analysis of other kinds of sources, such as cosmic chronometers, gamma-ray bursts, and high-z quasars, conflicts with this conclusion, indicating instead that the constant expansion rate implied by the Rh = ct universe is a better fit to the data. The central difficulty with the use of SNe Ia as standard candles is that one must optimize three or four nuisance parameters characterizing supernova (SN) luminosities simultaneously with the parameters of an expansion model. Hence, in comparing competing models, one must reduce the data independently for each. We carry out such a comparison of ΛCDM and the Rh = ct universe using the SN Legacy Survey sample of 252 SN events, and show that each model fits its individually reduced data very well. However, since Rh = ct has only one free parameter (the Hubble constant), it follows from a standard model selection technique that it is to be preferred over ΛCDM, the minimalist version of which has three (the Hubble constant, the scaled matter density, and either the spatial curvature constant or the dark energy equation-of-state parameter). We estimate using the Bayes Information Criterion that in a pairwise comparison, the likelihood of Rh = ct is ˜90%, compared with only ˜10% for a minimalist form of ΛCDM, in which dark energy is simply a cosmological constant. Compared to Rh = ct, versions of the standard model with more elaborate parametrizations of dark energy are judged to be even less likely. This work is dedicated to the memory of Prof. Tan Lu, who sadly passed away 2014 December 3. Among his many achievements, he is considered to be one of the founders of high-energy astrophysics, and a pioneer in modern cosmology, in China.

Quantum Discord Preservation for Two Quantum-Correlated Qubits in Two Independent Reserviors

NASA Astrophysics Data System (ADS)

Xu, Lan

2018-03-01

We investigate the dynamics of quantum discord using an exactly solvable model where two qubits coupled to independent thermal environments. The quantum discord is employed as a non-classical correlation quantifier. By studying the quantum discord of a class of initial states, we find discord remains preserve for a finite time. The effects of the temperature, initial-state parameter, system-reservoir coupling constant and temperature difference parameter of the two independent reserviors are also investigated. We discover that the quantum nature loses faster in high temperature, however, one can extend the time of quantum nature by choosing smaller system-reservoir coupling constant, larger certain initial-state parameter and larger temperature difference parameter.

Equilibrium muscle cross-bridge behavior. Theoretical considerations.

PubMed Central

Schoenberg, M

1985-01-01

We have developed a model for the equilibrium attachment and detachment of myosin cross-bridges to actin that takes into account the possibility that a given cross-bridge can bind to one of a number of actin monomers, as seems likely, rather than to a site on only a single actin monomer, as is often assumed. The behavior of this multiple site model in response to constant velocity, as well as instantaneous stretches, was studied and the influence of system parameters on the force response explored. It was found that in the multiple site model the detachment rate constant has considerably greater influence on the mechanical response than the attachment rate constant. It is shown that one can obtain information about the detachment rate constants either by examining the relationship between the apparent stiffness and duration of stretch for constant velocity stretches or by examining the force-decay rate constants following an instantaneous stretch. The main effect of the attachment rate constant is to scale the mechanical response by influencing the number of attached cross-bridges. The significance of the modeling for the interpretation of experimental results is discussed. PMID:4041539

Desorption kinetics of hydrophobic organic chemicals from sediment to water: a review of data and models.

PubMed

Birdwell, Justin; Cook, Robert L; Thibodeaux, Louis J

2007-03-01

Resuspension of contaminated sediment can lead to the release of toxic compounds to surface waters where they are more bioavailable and mobile. Because the timeframe of particle resettling during such events is shorter than that needed to reach equilibrium, a kinetic approach is required for modeling the release process. Due to the current inability of common theoretical approaches to predict site-specific release rates, empirical algorithms incorporating the phenomenological assumption of biphasic, or fast and slow, release dominate the descriptions of nonpolar organic chemical release in the literature. Two first-order rate constants and one fraction are sufficient to characterize practically all of the data sets studied. These rate constants were compared to theoretical model parameters and functionalities, including chemical properties of the contaminants and physical properties of the sorbents, to determine if the trends incorporated into the hindered diffusion model are consistent with the parameters used in curve fitting. The results did not correspond to the parameter dependence of the hindered diffusion model. No trend in desorption rate constants, for either fast or slow release, was observed to be dependent on K(OC) or aqueous solubility for six and seven orders of magnitude, respectively. The same was observed for aqueous diffusivity and sediment fraction organic carbon. The distribution of kinetic rate constant values was approximately log-normal, ranging from 0.1 to 50 d(-1) for the fast release (average approximately 5 d(-1)) and 0.0001 to 0.1 d(-1) for the slow release (average approximately 0.03 d(-1)). The implications of these findings with regard to laboratory studies, theoretical desorption process mechanisms, and water quality modeling needs are presented and discussed.

Application of Modified Particle Swarm Optimization Method for Parameter Extraction of 2-D TEC Mapping

NASA Astrophysics Data System (ADS)

Toker, C.; Gokdag, Y. E.; Arikan, F.; Arikan, O.

2012-04-01

Ionosphere is a very important part of Space Weather. Modeling and monitoring of ionospheric variability is a major part of satellite communication, navigation and positioning systems. Total Electron Content (TEC), which is defined as the line integral of the electron density along a ray path, is one of the parameters to investigate the ionospheric variability. Dual-frequency GPS receivers, with their world wide availability and efficiency in TEC estimation, have become a major source of global and regional TEC modeling. When Global Ionospheric Maps (GIM) of International GPS Service (IGS) centers (http://iono.jpl.nasa.gov/gim.html) are investigated, it can be observed that regional ionosphere along the midlatitude regions can be modeled as a constant, linear or a quadratic surface. Globally, especially around the magnetic equator, the TEC surfaces resemble twisted and dispersed single centered or double centered Gaussian functions. Particle Swarm Optimization (PSO) proved itself as a fast converging and an effective optimization tool in various diverse fields. Yet, in order to apply this optimization technique into TEC modeling, the method has to be modified for higher efficiency and accuracy in extraction of geophysical parameters such as model parameters of TEC surfaces. In this study, a modified PSO (mPSO) method is applied to regional and global synthetic TEC surfaces. The synthetic surfaces that represent the trend and small scale variability of various ionospheric states are necessary to compare the performance of mPSO over number of iterations, accuracy in parameter estimation and overall surface reconstruction. The Cramer-Rao bounds for each surface type and model are also investigated and performance of mPSO are tested with respect to these bounds. For global models, the sample points that are used in optimization are obtained using IGS receiver network. For regional TEC models, regional networks such as Turkish National Permanent GPS Network (TNPGN-Active) receiver sites are used. The regional TEC models are grouped into constant (one parameter), linear (two parameters), and quadratic (six parameters) surfaces which are functions of latitude and longitude. Global models require seven parameters for single centered Gaussian and 13 parameters for double centered Gaussian function. The error criterion is the normalized percentage error for both the surface and the parameters. It is observed that mPSO is very successful in parameter extraction of various regional and global models. The normalized reconstruction error varies from 10-4 for constant surfaces to 10-3 for quadratic surfaces in regional models, sampled with regional networks. Even for the cases of a severe geomagnetic storm that affects measurements globally, with IGS network, the reconstruction error is on the order of 10-1 even though individual parameters have higher normalized errors. The modified PSO technique proved itself to be a useful tool for parameter extraction of more complicated TEC models. This study is supported by TUBITAK EEEAG under Grant No: 109E055.

An investigation of the thermoviscoplastic behavior of a metal matrix composite at elevated temperatures

NASA Technical Reports Server (NTRS)

Rogacki, John R.; Tuttle, Mark E.

1992-01-01

This research investigates the response of a fiberless 13 layer hot isostatically pressed Ti-15-3 laminate to creep, constant strain rate, and cyclic constant strain rate loading at temperatures ranging from 482C to 649C. Creep stresses from 48 to 260 MPa and strain rates of .0001 to .01 m/m/sec were used. Material parameters for three unified constitutive models (Bodner-Partom, Miller, and Walker models) were determined for Ti-15-3 from the experimental data. Each of the three models was subsequently incorporated into a rule of mixtures and evaluated for accuracy and ease of use in predicting the thermoviscoplastic response of unidirectional metal matrix composite laminates (both 0 and 90). The laminates were comprised of a Ti-15-3 matrix with 29 volume percent SCS6 fibers. The predicted values were compared to experimentally determined creep and constant strain rate data. It was found that all three models predicted the viscoplastic response of the 0 specimens reasonably well, but seriously underestimated the viscoplastic response of the 90 specimens. It is believed that this discrepancy is due to compliant and/or weak fiber-matrix interphase. In general, it was found that of the three models studied, the Bodner-Partom model was easiest to implement, primarily because this model does not require the use of cyclic constant strain rate tests to determine the material parameters involved. However, the version of the Bodner-Partom model used in this study does not include back stress as an internal state variable, and hence may not be suitable for use with materials which exhibit a pronounced Baushinger effect. The back stress is accounted for in both the Walker and Miller models; determination of the material parameters associated with the Walker model was somewhat easier than in the Miller model.

Henry's Constants of Persistent Organic Pollutants by a Group-Contribution Method Based on Scaled-Particle Theory.

PubMed

Razdan, Neil K; Koshy, David M; Prausnitz, John M

2017-11-07

A group-contribution method based on scaled-particle theory was developed to predict Henry's constants for six families of persistent organic pollutants: polychlorinated benzenes, polychlorinated biphenyls, polychlorinated dibenzodioxins, polychlorinated dibenzofurans, polychlorinated naphthalenes, and polybrominated diphenyl ethers. The group-contribution model uses limited experimental data to obtain group-interaction parameters for an easy-to-use method to predict Henry's constants for systems where reliable experimental data are scarce. By using group-interaction parameters obtained from data reduction, scaled-particle theory gives the partial molar Gibbs energy of dissolution, Δg̅ 2 , allowing calculation of Henry's constant, H 2 , for more than 700 organic pollutants. The average deviation between predicted values of log H 2 and experiment is 4%. Application of an approximate van't Hoff equation gives the temperature dependence of Henry's constants for polychlorinated biphenyls, polychlorinated naphthalenes, and polybrominated diphenyl ethers in the environmentally relevant range 0-40 °C.

Constraining f(R) gravity in solar system, cosmology and binary pulsar systems

NASA Astrophysics Data System (ADS)

Liu, Tan; Zhang, Xing; Zhao, Wen

2018-02-01

The f (R) gravity can be cast into the form of a scalar-tensor theory, and scalar degree of freedom can be suppressed in high-density regions by the chameleon mechanism. In this article, for the general f (R) gravity, using a scalar-tensor representation with the chameleon mechanism, we calculate the parametrized post-Newtonian parameters γ and β, the effective gravitational constant Geff, and the effective cosmological constant Λeff. In addition, for the general f (R) gravity, we also calculate the rate of orbital period decay of the binary system due to gravitational radiation. Then we apply these results to specific f (R) models (Hu-Sawicki model, Tsujikawa model and Starobinsky model) and derive the constraints on the model parameters by combining the observations in solar system, cosmological scales and the binary systems.

Effective-range parameters and vertex constants for Λ-nuclear systems

NASA Astrophysics Data System (ADS)

Rakityansky, S. A.; Gopane, I. M.

For a wide range of the core-nuclei (6 ≤ A ≤ 207), the scattering lengths, effective radii, and the other effective-range parameters (up to the order ˜ k8) for the angular momentum ℓ = 0, 1, 2 are calculated within a two-body ΛA-model. For the same hypernuclear systems, the S-matrix residues as well as the corresponding Nuclear-Vertex and Asymptotic-Normalization constants (NVC’s and ANC’s) for the bound states are also found.

Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model.

PubMed

Laury, Marie L; Wang, Lee-Ping; Pande, Vijay S; Head-Gordon, Teresa; Ponder, Jay W

2015-07-23

A set of improved parameters for the AMOEBA polarizable atomic multipole water model is developed. An automated procedure, ForceBalance, is used to adjust model parameters to enforce agreement with ab initio-derived results for water clusters and experimental data for a variety of liquid phase properties across a broad temperature range. The values reported here for the new AMOEBA14 water model represent a substantial improvement over the previous AMOEBA03 model. The AMOEBA14 model accurately predicts the temperature of maximum density and qualitatively matches the experimental density curve across temperatures from 249 to 373 K. Excellent agreement is observed for the AMOEBA14 model in comparison to experimental properties as a function of temperature, including the second virial coefficient, enthalpy of vaporization, isothermal compressibility, thermal expansion coefficient, and dielectric constant. The viscosity, self-diffusion constant, and surface tension are also well reproduced. In comparison to high-level ab initio results for clusters of 2-20 water molecules, the AMOEBA14 model yields results similar to AMOEBA03 and the direct polarization iAMOEBA models. With advances in computing power, calibration data, and optimization techniques, we recommend the use of the AMOEBA14 water model for future studies employing a polarizable water model.

Metastability in the Spin-1 Blume-Emery-Griffiths Model within Constant Coupling Approximation

NASA Astrophysics Data System (ADS)

Ekiz, C.

2017-02-01

In this paper, the equilibrium properties of spin-1 Blume-Emery-Griffiths model are studied by using constant-coupling approximation. The dipolar and quadrupolar order parameters, the stable, metastable and unstable states and free energy of the model are investigated. The states are defined in terms of local minima of the free energy of system. The numerical calculations are presented for several values of exchange interactions on the simple cubic lattice with q = 6.

A two-fluid approximation for calculating the cosmic microwave background anisotropies

NASA Technical Reports Server (NTRS)

Seljak, Uros

1994-01-01

We present a simplified treatment for calculating the cosmic microwave background anisotropy power spectrum in adiabatic models. It consists of solving for the evolution of a two-fluid model until the epoch of recombination and then integrating over the sources to obtain the cosmic microwave background (CMB) anisotropy power spectrum. The approximation is useful both for a physical understanding of CMB anisotropies as well as for a quantitative analysis of cosmological models. Comparison with exact calculations shows that the accuracy is typically 10%-20% over a large range of angles and cosmological models, including those with curvature and cosmological constant. Using this approximation we investigate the dependence of the CMB anisotropy on the cosmological parameters. We identify six dimensionless parameters that uniquely determine the anisotropy power spectrum within our approximation. CMB experiments on different angular scales could in principle provide information on all these parameters. In particular, mapping of the Doppler peaks would allow an independent determination of baryon mass density, matter mass density, and the Hubble constant.

Helicopter TEM parameters analysis and system optimization based on time constant

NASA Astrophysics Data System (ADS)

Xiao, Pan; Wu, Xin; Shi, Zongyang; Li, Jutao; Liu, Lihua; Fang, Guangyou

2018-03-01

Helicopter transient electromagnetic (TEM) method is a kind of common geophysical prospecting method, widely used in mineral detection, underground water exploration and environment investigation. In order to develop an efficient helicopter TEM system, it is necessary to analyze and optimize the system parameters. In this paper, a simple and quantitative method is proposed to analyze the system parameters, such as waveform, power, base frequency, measured field and sampling time. A wire loop model is used to define a comprehensive 'time constant domain' that shows a range of time constant, analogous to a range of conductance, after which the characteristics of the system parameters in this domain is obtained. It is found that the distortion caused by the transmitting base frequency is less than 5% when the ratio of the transmitting period to the target time constant is greater than 6. When the sampling time window is less than the target time constant, the distortion caused by the sampling time window is less than 5%. According to this method, a helicopter TEM system, called CASHTEM, is designed, and flight test has been carried out in the known mining area. The test results show that the system has good detection performance, verifying the effectiveness of the method.

The effect of the magnetic nanoparticle's size dependence of the relaxation time constant on the specific loss power of magnetic nanoparticle hyperthermia

NASA Astrophysics Data System (ADS)

Harabech, Mariem; Leliaert, Jonathan; Coene, Annelies; Crevecoeur, Guillaume; Van Roost, Dirk; Dupré, Luc

2017-03-01

Magnetic nanoparticle hyperthermia is a cancer treatment in which magnetic nanoparticles (MNPs) are subjected to an alternating magnetic field to induce heat in the tumor. The generated heat of MNPs is characterized by the specific loss power (SLP) due to relaxation phenomena of the MNP. Up to now, several models have been proposed to predict the SLP, one of which is the Linear Response Theory. One parameter in this model is the relaxation time constant. In this contribution, we employ a macrospin model based on the Landau-Lifshitz-Gilbert equation to investigate the relation between the Gilbert damping parameter and the relaxation time constant. This relaxation time has a pre-factor τ0 which is often taken as a fixed value ranging between 10-8 and 10-12 s. However, in reality it has small size dependence. Here, the influence of this size dependence on the calculation of the SLP is demonstrated, consequently improving the accuracy of this estimate.

Absolute instabilities of travelling wave solutions in a Keller-Segel model

NASA Astrophysics Data System (ADS)

Davis, P. N.; van Heijster, P.; Marangell, R.

2017-11-01

We investigate the spectral stability of travelling wave solutions in a Keller-Segel model of bacterial chemotaxis with a logarithmic chemosensitivity function and a constant, sublinear, and linear consumption rate. Linearising around the travelling wave solutions, we locate the essential and absolute spectrum of the associated linear operators and find that all travelling wave solutions have parts of the essential spectrum in the right half plane. However, we show that in the case of constant or sublinear consumption there exists a range of parameters such that the absolute spectrum is contained in the open left half plane and the essential spectrum can thus be weighted into the open left half plane. For the constant and sublinear consumption rate models we also determine critical parameter values for which the absolute spectrum crosses into the right half plane, indicating the onset of an absolute instability of the travelling wave solution. We observe that this crossing always occurs off of the real axis.

A Brane Model, Its Ads-DS States and Their Agitated Extra Dimensions

NASA Astrophysics Data System (ADS)

Günther, Uwe; Vargas Moniz, Paulo; Zhuk, Alexander

2006-02-01

We consider multidimensional gravitational models with a nonlinear scalar curvature term and form fields. It is assumed that the higher dimensional spacetime undergoes a spontaneous compactification to a warped product manifold. Particular attention is paid to models with quadratic scalar curvature terms and a Freund-Rubin-like ansatz for solitonic form fields. It is shown that for certain parameter ranges the extra dimensions are stabilized for any sign of the internal space curvature, the bulk cosmological constant and of the effective four-dimensional cosmological constant. Moreover, the effective cosmological constant can satisfy the observable limit on the dark energy density.

Mapping the Chevallier-Polarski-Linder parametrization onto physical dark energy Models

NASA Astrophysics Data System (ADS)

Scherrer, Robert J.

2015-08-01

We examine the Chevallier-Polarski-Linder (CPL) parametrization, in the context of quintessence and barotropic dark energy models, to determine the subset of such models to which it can provide a good fit. The CPL parametrization gives the equation of state parameter w for the dark energy as a linear function of the scale factor a , namely w =w0+wa(1 -a ). In the case of quintessence models, we find that over most of the w0, wa parameter space the CPL parametrization maps onto a fairly narrow form of behavior for the potential V (ϕ ), while a one-dimensional subset of parameter space, for which wa=κ (1 +w0) , with κ constant, corresponds to a wide range of functional forms for V (ϕ ). For barotropic models, we show that the functional dependence of the pressure on the density, up to a multiplicative constant, depends only on wi=wa+w0 and not on w0 and wa separately. Our results suggest that the CPL parametrization may not be optimal for testing either type of model.

Numerical analysis and experimental verification of elastomer bending process with different material models

NASA Astrophysics Data System (ADS)

Kut, Stanislaw; Ryzinska, Grazyna; Niedzialek, Bernadetta

2016-01-01

The article presents the results of tests in order to verifying the effectiveness of the nine selected elastomeric material models (Neo-Hookean, Mooney with two and three constants, Signorini, Yeoh, Ogden, Arruda-Boyce, Gent and Marlow), which the material constants were determined in one material test - the uniaxial tension testing. The convergence assessment of nine analyzed models were made on the basis of their performance from an experimental bending test of the elastomer samples from the results of numerical calculations FEM for each material models. To calculate the material constants for the analyzed materials, a model has been generated by the stressstrain characteristics created as a result of experimental uniaxial tensile test with elastomeric dumbbell samples, taking into account the parameters received in its 18th cycle. Using such a calculated material constants numerical simulation of the bending process of a elastomeric, parallelepipedic sampleswere carried out using MARC / Mentat program.

Distribution Development for STORM Ingestion Input Parameters

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

Fulton, John

The Sandia-developed Transport of Radioactive Materials (STORM) code suite is used as part of the Radioisotope Power System Launch Safety (RPSLS) program to perform statistical modeling of the consequences due to release of radioactive material given a launch accident. As part of this modeling, STORM samples input parameters from probability distributions with some parameters treated as constants. This report described the work done to convert four of these constant inputs (Consumption Rate, Average Crop Yield, Cropland to Landuse Database Ratio, and Crop Uptake Factor) to sampled values. Consumption rate changed from a constant value of 557.68 kg / yr tomore » a normal distribution with a mean of 102.96 kg / yr and a standard deviation of 2.65 kg / yr. Meanwhile, Average Crop Yield changed from a constant value of 3.783 kg edible / m 2 to a normal distribution with a mean of 3.23 kg edible / m 2 and a standard deviation of 0.442 kg edible / m 2 . The Cropland to Landuse Database ratio changed from a constant value of 0.0996 (9.96%) to a normal distribution with a mean value of 0.0312 (3.12%) and a standard deviation of 0.00292 (0.29%). Finally the crop uptake factor changed from a constant value of 6.37e -4 (Bq crop /kg)/(Bq soil /kg) to a lognormal distribution with a geometric mean value of 3.38e -4 (Bq crop /kg)/(Bq soil /kg) and a standard deviation value of 3.33 (Bq crop /kg)/(Bq soil /kg)« less

The effects of ionic strength and organic matter on virus inactivation at low temperatures: general likelihood uncertainty estimation (GLUE) as an alternative to least-squares parameter optimization for the fitting of virus inactivation models

NASA Astrophysics Data System (ADS)

Mayotte, Jean-Marc; Grabs, Thomas; Sutliff-Johansson, Stacy; Bishop, Kevin

2017-06-01

This study examined how the inactivation of bacteriophage MS2 in water was affected by ionic strength (IS) and dissolved organic carbon (DOC) using static batch inactivation experiments at 4 °C conducted over a period of 2 months. Experimental conditions were characteristic of an operational managed aquifer recharge (MAR) scheme in Uppsala, Sweden. Experimental data were fit with constant and time-dependent inactivation models using two methods: (1) traditional linear and nonlinear least-squares techniques; and (2) a Monte-Carlo based parameter estimation technique called generalized likelihood uncertainty estimation (GLUE). The least-squares and GLUE methodologies gave very similar estimates of the model parameters and their uncertainty. This demonstrates that GLUE can be used as a viable alternative to traditional least-squares parameter estimation techniques for fitting of virus inactivation models. Results showed a slight increase in constant inactivation rates following an increase in the DOC concentrations, suggesting that the presence of organic carbon enhanced the inactivation of MS2. The experiment with a high IS and a low DOC was the only experiment which showed that MS2 inactivation may have been time-dependent. However, results from the GLUE methodology indicated that models of constant inactivation were able to describe all of the experiments. This suggested that inactivation time-series longer than 2 months were needed in order to provide concrete conclusions regarding the time-dependency of MS2 inactivation at 4 °C under these experimental conditions.

Modeling Nitrogen Dynamics in a Waste Stabilization Pond System Using Flexible Modeling Environment with MCMC

PubMed Central

Mukhtar, Hussnain; Lin, Yu-Pin; Shipin, Oleg V.; Petway, Joy R.

2017-01-01

This study presents an approach for obtaining realization sets of parameters for nitrogen removal in a pilot-scale waste stabilization pond (WSP) system. The proposed approach was designed for optimal parameterization, local sensitivity analysis, and global uncertainty analysis of a dynamic simulation model for the WSP by using the R software package Flexible Modeling Environment (R-FME) with the Markov chain Monte Carlo (MCMC) method. Additionally, generalized likelihood uncertainty estimation (GLUE) was integrated into the FME to evaluate the major parameters that affect the simulation outputs in the study WSP. Comprehensive modeling analysis was used to simulate and assess nine parameters and concentrations of ON-N, NH3-N and NO3-N. Results indicate that the integrated FME-GLUE-based model, with good Nash–Sutcliffe coefficients (0.53–0.69) and correlation coefficients (0.76–0.83), successfully simulates the concentrations of ON-N, NH3-N and NO3-N. Moreover, the Arrhenius constant was the only parameter sensitive to model performances of ON-N and NH3-N simulations. However, Nitrosomonas growth rate, the denitrification constant, and the maximum growth rate at 20 °C were sensitive to ON-N and NO3-N simulation, which was measured using global sensitivity. PMID:28704958

A GUI-based Tool for Bridging the Gap between Models and Process-Oriented Studies

NASA Astrophysics Data System (ADS)

Kornfeld, A.; Van der Tol, C.; Berry, J. A.

2014-12-01

Models used for simulation of photosynthesis and transpiration by canopies of terrestrial plants typically have subroutines such as STOMATA.F90, PHOSIB.F90 or BIOCHEM.m that solve for photosynthesis and associated processes. Key parameters such as the Vmax for Rubisco and temperature response parameters are required by these subroutines. These are often taken from the literature or determined by separate analysis of gas exchange experiments. It is useful to note however that subroutines can be extracted and run as standalone models to simulate leaf responses collected in gas exchange experiments. Furthermore, there are excellent non-linear fitting tools that can be used to optimize the parameter values in these models to fit the observations. Ideally the Vmax fit in this way should be the same as that determined by a separate analysis, but it may not because of interactions with other kinetic constants and the temperature dependence of these in the full subroutine. We submit that it is more useful to fit the complete model to the calibration experiments rather as disaggregated constants. We designed a graphical user interface (GUI) based tool that uses gas exchange photosynthesis data to directly estimate model parameters in the SCOPE (Soil Canopy Observation, Photochemistry and Energy fluxes) model and, at the same time, allow researchers to change parameters interactively to visualize how variation in model parameters affect predicted outcomes such as photosynthetic rates, electron transport, and chlorophyll fluorescence. We have also ported some of this functionality to an Excel spreadsheet, which could be used as a teaching tool to help integrate process-oriented and model-oriented studies.

Tachyon warm-intermediate inflationary universe model in high dissipative regime

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

Setare, M.R.; Kamali, V., E-mail: rezakord@ipm.ir, E-mail: vkamali1362@gmail.com

2012-08-01

We consider tachyonic warm-inflationary models in the context of intermediate inflation. We derive the characteristics of this model in slow-roll approximation and develop our model in two cases, 1- For a constant dissipative parameter Γ. 2- Γ as a function of tachyon field φ. We also describe scalar and tensor perturbations for this scenario. The parameters appearing in our model are constrained by recent observational data. We find that the level of non-Gaussianity for this model is comparable with non-tachyonic model.

Higgs field and cosmological parameters in the fractal quantum system

NASA Astrophysics Data System (ADS)

Abramov, Valeriy

2017-10-01

For the fractal model of the Universe the relations of cosmological parameters and the Higgs field are established. Estimates of the critical density, the expansion and speed-up parameters of the Universe (the Hubble constant and the cosmological redshift); temperature and anisotropy of the cosmic microwave background radiation were performed.

Application of a Constant Gain Extended Kalman Filter for In-Flight Estimation of Aircraft Engine Performance Parameters

NASA Technical Reports Server (NTRS)

Kobayashi, Takahisa; Simon, Donald L.; Litt, Jonathan S.

2005-01-01

An approach based on the Constant Gain Extended Kalman Filter (CGEKF) technique is investigated for the in-flight estimation of non-measurable performance parameters of aircraft engines. Performance parameters, such as thrust and stall margins, provide crucial information for operating an aircraft engine in a safe and efficient manner, but they cannot be directly measured during flight. A technique to accurately estimate these parameters is, therefore, essential for further enhancement of engine operation. In this paper, a CGEKF is developed by combining an on-board engine model and a single Kalman gain matrix. In order to make the on-board engine model adaptive to the real engine s performance variations due to degradation or anomalies, the CGEKF is designed with the ability to adjust its performance through the adjustment of artificial parameters called tuning parameters. With this design approach, the CGEKF can maintain accurate estimation performance when it is applied to aircraft engines at offnominal conditions. The performance of the CGEKF is evaluated in a simulation environment using numerous component degradation and fault scenarios at multiple operating conditions.

Parameter Identification of Static Friction Based on An Optimal Exciting Trajectory

NASA Astrophysics Data System (ADS)

Tu, X.; Zhao, P.; Zhou, Y. F.

2017-12-01

In this paper, we focus on how to improve the identification efficiency of friction parameters in a robot joint. First, the static friction model that has only linear dependencies with respect to their parameters is adopted so that the servomotor dynamics can be linearized. In this case, the traditional exciting trajectory based on Fourier series is modified by replacing the constant term with quintic polynomial to ensure the boundary continuity of speed and acceleration. Then, the Fourier-related parameters are optimized by genetic algorithm(GA) in which the condition number of regression matrix is set as the fitness function. At last, compared with the constant-velocity tracking experiment, the friction parameters from the exciting trajectory experiment has the similar result with the advantage of time reduction.

Estimation of Nutation Time Constant Model Parameters for On-Axis Spinning Spacecraft

NASA Technical Reports Server (NTRS)

Schlee, Keith; Sudermann, James

2008-01-01

Calculating an accurate nutation time constant for a spinning spacecraft is an important step for ensuring mission success. Spacecraft nutation is caused by energy dissipation about the spin axis. Propellant slosh in the spacecraft fuel tanks is the primary source for this dissipation and can be simulated using a forced motion spin table. Mechanical analogs, such as pendulums and rotors, are typically used to simulate propellant slosh. A strong desire exists for an automated method to determine these analog parameters. The method presented accomplishes this task by using a MATLAB Simulink/SimMechanics based simulation that utilizes the Parameter Estimation Tool.

Systematics of constant roll inflation

NASA Astrophysics Data System (ADS)

Anguelova, Lilia; Suranyi, Peter; Wijewardhana, L. C. R.

2018-02-01

We study constant roll inflation systematically. This is a regime, in which the slow roll approximation can be violated. It has long been thought that this approximation is necessary for agreement with observations. However, recently it was understood that there can be inflationary models with a constant, and not necessarily small, rate of roll that are both stable and compatible with the observational constraint ns ≈ 1. We investigate systematically the condition for such a constant-roll regime. In the process, we find a whole new class of inflationary models, in addition to the known solutions. We show that the new models are stable under scalar perturbations. Finally, we find a part of their parameter space, in which they produce a nearly scale-invariant scalar power spectrum, as needed for observational viability.

Constraints on a generalized deceleration parameter from cosmic chronometers

NASA Astrophysics Data System (ADS)

Mamon, Abdulla Al

2018-04-01

In this paper, we have proposed a generalized parametrization for the deceleration parameter q in order to study the evolutionary history of the universe. We have shown that the proposed model can reproduce three well known q-parametrized models for some specific values of the model parameter α. We have used the latest compilation of the Hubble parameter measurements obtained from the cosmic chronometer (CC) method (in combination with the local value of the Hubble constant H0) and the Type Ia supernova (SNIa) data to place constraints on the parameters of the model for different values of α. We have found that the resulting constraints on the deceleration parameter and the dark energy equation of state support the ΛCDM model within 1σ confidence level at the present epoch.

Deformation of the quintom cosmological model and its consequences

NASA Astrophysics Data System (ADS)

Sadeghi, J.; Pourhassan, B.; Nekouee, Z.; Shokri, M.

In this paper, we investigate the effects of noncommutative phase-space on the quintom cosmological model. In that case, we discuss about some cosmological parameters and show that they depend on the deformation parameters. We find that the noncommutative parameter plays important role which helps to re-arrange the divergency of cosmological constant. We draw time-dependent scale factor and investigate the effect of noncommutative parameters. Finally, we take advantage from noncommutative phase-space and obtain the deformed Lagrangian for the quintom model. In order to discuss some cosmological phenomena as dark energy and inflation, we employ Noether symmetry.

A numerical study of granular dam-break flow

NASA Astrophysics Data System (ADS)

Pophet, N.; Rébillout, L.; Ozeren, Y.; Altinakar, M.

2017-12-01

Accurate prediction of granular flow behavior is essential to optimize mitigation measures for hazardous natural granular flows such as landslides, debris flows and tailings-dam break flows. So far, most successful models for these types of flows focus on either pure granular flows or flows of saturated grain-fluid mixtures by employing a constant friction model or more complex rheological models. These saturated models often produce non-physical result when they are applied to simulate flows of partially saturated mixtures. Therefore, more advanced models are needed. A numerical model was developed for granular flow employing a constant friction and μ(I) rheology (Jop et al., J. Fluid Mech. 2005) coupled with a groundwater flow model for seepage flow. The granular flow is simulated by solving a mixture model using Finite Volume Method (FVM). The Volume-of-Fluid (VOF) technique is used to capture the free surface motion. The constant friction and μ(I) rheological models are incorporated in the mixture model. The seepage flow is modeled by solving Richards equation. A framework is developed to couple these two solvers in OpenFOAM. The model was validated and tested by reproducing laboratory experiments of partially and fully channelized dam-break flows of dry and initially saturated granular material. To obtain appropriate parameters for rheological models, a series of simulations with different sets of rheological parameters is performed. The simulation results obtained from constant friction and μ(I) rheological models are compared with laboratory experiments for granular free surface interface, front position and velocity field during the flows. The numerical predictions indicate that the proposed model is promising in predicting dynamics of the flow and deposition process. The proposed model may provide more reliable insight than the previous assumed saturated mixture model, when saturated and partially saturated portions of granular mixture co-exist.

Bianchi Type-I Anisotropic Dark Energy Model with Constant Deceleration Parameter

NASA Astrophysics Data System (ADS)

Pradhan, Anirudh; Amirhashchi, H.; Saha, Bijan

2011-09-01

A new dark energy model in anisotropic Bianchi type-I (B-I) space-time with time dependent equation of state (EoS) parameter and constant deceleration parameter has been investigated in the present paper. The Einstein's field equations have been solved by applying a variation law for generalized Hubble's parameter (Berman in Il Nuovo Cimento B 74:182, 1983) which generates two types of solutions, one is of power-law type and other is of the exponential form. The existing range of the dark energy EoS parameter ω for derived model is found to be in good agreement with the three recent observations (i) SNe Ia data (Knop et al. in Astrophys. J. 598:102, 2003), (ii) SNe Ia data collaborated with CMBR anisotropy and galaxy clustering statistics (Tegmark et al. in Astrophys. J. 606:702, 2004) and (iii) a combination of cosmological datasets coming from CMB anisotropies, luminosity distances of high redshift type Ia supernovae and galaxy clustering (Hinshaw et al. in Astrophys. J. Suppl. Ser. 180:225, 2009 and Komatsu et al. in Astrophys. J. Suppl. Ser. 180:330, 2009). The cosmological constant Λ is found to be a decreasing function of time and it approaches a small positive value at the present epoch which is corroborated by results from recent supernovae Ia observations. It has also been suggested that the dark energy that explains the observed accelerating universe may arise due to the contribution to the vacuum energy of the EoS in a time dependent background. Geometric and kinematic properties of the model and the behaviour of the anisotropy of the dark energy have been carried out.

Collisional excitation of CO by H2O - An astrophysicist's guide to obtaining rate constants from coherent anti-Stokes Raman line shape data

NASA Technical Reports Server (NTRS)

Green, Sheldon

1993-01-01

Rate constants for excitation of CO by collisions with H2O are needed to understand recent observations of comet spectra. These collision rates are closely related to spectral line shape parameters, especially those for Raman Q-branch spectra. Because such spectra have become quite important for thermometry applications, much effort has been invested in understanding this process. Although it is not generally possible to extract state-to-state rate constants directly from the data as there are too many unknowns, if the matrix of state-to-state rates can be expressed in terms of a rate-law model which depends only on rotational quantum numbers plus a few parameters, the parameters can be determined from the data; this has been done with some success for many systems, especially those relevant to combustion processes. Although such an analysis has not yet been done for CO-H2O, this system is expected to behave similarly to N2-H2O which has been well studies; modifications of parameters for the latter system are suggested which should provide a reasonable description of rate constants for the former.

Theoretical research of the spin-Hamiltonian parameters for two rhombic W5+ centers in KTiOPO4 (KTP) crystal through a two-mechanism model

NASA Astrophysics Data System (ADS)

Mei, Yang; Chen, Bo-Wei; Wei, Chen-Fu; Zheng, Wen-Chen

2016-09-01

The high-order perturbation formulas based on the two-mechanism model are employed to calculate the spin-Hamiltonian parameters (g factors gi and hyperfine structure constants Ai, where i=x, y, z) for two approximately rhombic W5+ centers in KTiOPO4 (KTP) crystal. In the model, both the widely-applied crystal-field (CF) mechanism concerning the interactions of CF excited states with the ground state and the generally-neglected charge-transfer (CT) mechanism concerning the interactions of CT excited states with the ground state are included. The calculated results agree with the experimental values, and the signs of constants Ai are suggested. The calculations indicate that (i) for the high valence state dn ions in crystals, the contributions to spin-Hamiltonian parameters should take into account both the CF and CT mechanisms and (ii) the large g-shifts |Δgi | (=|gi-ge |, where ge≈ 2.0023) for W5+ centers in crystals are due to the large spin-orbit parameter of free W5+ ion.

ESTIMATION OF CONSTANT AND TIME-VARYING DYNAMIC PARAMETERS OF HIV INFECTION IN A NONLINEAR DIFFERENTIAL EQUATION MODEL.

PubMed

Liang, Hua; Miao, Hongyu; Wu, Hulin

2010-03-01

Modeling viral dynamics in HIV/AIDS studies has resulted in deep understanding of pathogenesis of HIV infection from which novel antiviral treatment guidance and strategies have been derived. Viral dynamics models based on nonlinear differential equations have been proposed and well developed over the past few decades. However, it is quite challenging to use experimental or clinical data to estimate the unknown parameters (both constant and time-varying parameters) in complex nonlinear differential equation models. Therefore, investigators usually fix some parameter values, from the literature or by experience, to obtain only parameter estimates of interest from clinical or experimental data. However, when such prior information is not available, it is desirable to determine all the parameter estimates from data. In this paper, we intend to combine the newly developed approaches, a multi-stage smoothing-based (MSSB) method and the spline-enhanced nonlinear least squares (SNLS) approach, to estimate all HIV viral dynamic parameters in a nonlinear differential equation model. In particular, to the best of our knowledge, this is the first attempt to propose a comparatively thorough procedure, accounting for both efficiency and accuracy, to rigorously estimate all key kinetic parameters in a nonlinear differential equation model of HIV dynamics from clinical data. These parameters include the proliferation rate and death rate of uninfected HIV-targeted cells, the average number of virions produced by an infected cell, and the infection rate which is related to the antiviral treatment effect and is time-varying. To validate the estimation methods, we verified the identifiability of the HIV viral dynamic model and performed simulation studies. We applied the proposed techniques to estimate the key HIV viral dynamic parameters for two individual AIDS patients treated with antiretroviral therapies. We demonstrate that HIV viral dynamics can be well characterized and quantified for individual patients. As a result, personalized treatment decision based on viral dynamic models is possible.

Thermodynamic scaling of dynamic properties of liquid crystals: Verifying the scaling parameters using a molecular model

NASA Astrophysics Data System (ADS)

Satoh, Katsuhiko

2013-08-01

The thermodynamic scaling of molecular dynamic properties of rotation and thermodynamic parameters in a nematic phase was investigated by a molecular dynamic simulation using the Gay-Berne potential. A master curve for the relaxation time of flip-flop motion was obtained using thermodynamic scaling, and the dynamic property could be solely expressed as a function of TV^{γ _τ }, where T and V are the temperature and volume, respectively. The scaling parameter γτ was in excellent agreement with the thermodynamic parameter Γ, which is the logarithm of the slope of a line plotted for the temperature and volume at constant P2. This line was fairly linear, and as good as the line for p-azoxyanisole or using the highly ordered small cluster model. The equivalence relation between Γ and γτ was compared with results obtained from the highly ordered small cluster model. The possibility of adapting the molecular model for the thermodynamic scaling of other dynamic rotational properties was also explored. The rotational diffusion constant and rotational viscosity coefficients, which were calculated using established theoretical and experimental expressions, were rescaled onto master curves with the same scaling parameters. The simulation illustrates the universal nature of the equivalence relation for liquid crystals.

Henry’s Law Constant and Overall Mass Transfer Coefficient for Formaldehyde Emission from Small Water Pools under Simulated Indoor Environmental Conditions

EPA Science Inventory

The Henry’s law constant (HLC) and the overall mass transfer coefficient are both important parameters for modeling formaldehyde emissions from aqueous solutions. In this work, the apparent HLCs for aqueous formaldehyde solutions were determined in the concentration range from 0....

Resimulation of noise: a precision estimator for least square error curve-fitting tested for axial strain time constant imaging

NASA Astrophysics Data System (ADS)

Nair, S. P.; Righetti, R.

2015-05-01

Recent elastography techniques focus on imaging information on properties of materials which can be modeled as viscoelastic or poroelastic. These techniques often require the fitting of temporal strain data, acquired from either a creep or stress-relaxation experiment to a mathematical model using least square error (LSE) parameter estimation. It is known that the strain versus time relationships for tissues undergoing creep compression have a non-linear relationship. In non-linear cases, devising a measure of estimate reliability can be challenging. In this article, we have developed and tested a method to provide non linear LSE parameter estimate reliability: which we called Resimulation of Noise (RoN). RoN provides a measure of reliability by estimating the spread of parameter estimates from a single experiment realization. We have tested RoN specifically for the case of axial strain time constant parameter estimation in poroelastic media. Our tests show that the RoN estimated precision has a linear relationship to the actual precision of the LSE estimator. We have also compared results from the RoN derived measure of reliability against a commonly used reliability measure: the correlation coefficient (CorrCoeff). Our results show that CorrCoeff is a poor measure of estimate reliability for non-linear LSE parameter estimation. While the RoN is specifically tested only for axial strain time constant imaging, a general algorithm is provided for use in all LSE parameter estimation.

Cosmological constraints on extended Galileon models

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

Felice, Antonio De; Tsujikawa, Shinji, E-mail: antoniod@nu.ac.th, E-mail: shinji@rs.kagu.tus.ac.jp

2012-03-01

The extended Galileon models possess tracker solutions with de Sitter attractors along which the dark energy equation of state is constant during the matter-dominated epoch, i.e. w{sub DE} = −1−s, where s is a positive constant. Even with this phantom equation of state there are viable parameter spaces in which the ghosts and Laplacian instabilities are absent. Using the observational data of the supernovae type Ia, the cosmic microwave background (CMB), and baryon acoustic oscillations, we place constraints on the tracker solutions at the background level and find that the parameter s is constrained to be s = 0.034{sub −0.034}{supmore » +0.327} (95 % CL) in the flat Universe. In order to break the degeneracy between the models we also study the evolution of cosmological density perturbations relevant to the large-scale structure (LSS) and the Integrated-Sachs-Wolfe (ISW) effect in CMB. We show that, depending on the model parameters, the LSS and the ISW effect is either positively or negatively correlated. It is then possible to constrain viable parameter spaces further from the observational data of the ISW-LSS cross-correlation as well as from the matter power spectrum.« less

Anisotropic Effects on Constitutive Model Parameters of Aluminum Alloys

DTIC Science & Technology

2012-01-01

constants are required input to computer codes (LS-DYNA, DYNA3D or SPH ) to accurately simulate fragment impact on structural components made of high...different temperatures. These model constants are required input to computer codes (LS-DYNA, DYNA3D or SPH ) to accurately simulate fragment impact on...ADDRESS(ES) Naval Surface Warfare Center,4104Evans Way Suite 102,Indian Head,MD,20640 8. PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING/MONITORING

Adiabatic Coupling Constant of Nitrobenzene- n-Alkane Critical Mixtures. Evidence from Ultrasonic Spectra and Thermodynamic Data

NASA Astrophysics Data System (ADS)

Mirzaev, Sirojiddin Z.; Kaatze, Udo

2016-09-01

Ultrasonic spectra of mixtures of nitrobenzene with n-alkanes, from n-hexane to n-nonane, are analyzed. They feature up to two Debye-type relaxation terms with discrete relaxation times and, near the critical point, an additional relaxation term due to the fluctuations in the local concentration. The latter can be well represented by the dynamic scaling theory. Its amplitude parameter reveals the adiabatic coupling constant of the mixtures of critical composition. The dependence of this thermodynamic parameter upon the length of the n-alkanes corresponds to that of the slope in the pressure dependence of the critical temperature and is thus taken another confirmation of the dynamic scaling model. The change in the variation of the coupling constant and of several other mixture parameters with alkane length probably reflects a structural change in the nitrobenzene- n-alkane mixtures when the number of carbon atoms per alkane exceeds eight.

{gamma} parameter and Solar System constraint in chameleon-Brans-Dicke theory

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

Saaidi, Kh.; Mohammadi, A.; Sheikhahmadi, H.

2011-05-15

The post Newtonian parameter is considered in the chameleon-Brans-Dicke model. In the first step, the general form of this parameter and also effective gravitational constant is obtained. An arbitrary function for f({Phi}), which indicates the coupling between matter and scalar field, is introduced to investigate validity of solar system constraint. It is shown that the chameleon-Brans-Dicke model can satisfy the solar system constraint and gives us an {omega} parameter of order 10{sup 4}, which is in comparable to the constraint which has been indicated in [19].

Optimal solutions for a bio mathematical model for the evolution of smoking habit

NASA Astrophysics Data System (ADS)

Sikander, Waseem; Khan, Umar; Ahmed, Naveed; Mohyud-Din, Syed Tauseef

In this study, we apply Variation of Parameter Method (VPM) coupled with an auxiliary parameter to obtain the approximate solutions for the epidemic model for the evolution of smoking habit in a constant population. Convergence of the developed algorithm, namely VPM with an auxiliary parameter is studied. Furthermore, a simple way is considered for obtaining an optimal value of auxiliary parameter via minimizing the total residual error over the domain of problem. Comparison of the obtained results with standard VPM shows that an auxiliary parameter is very feasible and reliable in controlling the convergence of approximate solutions.

Observational constraint on dynamical evolution of dark energy

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

Gong, Yungui; Cai, Rong-Gen; Chen, Yun

2010-01-01

We use the Constitution supernova, the baryon acoustic oscillation, the cosmic microwave background, and the Hubble parameter data to analyze the evolution property of dark energy. We obtain different results when we fit different baryon acoustic oscillation data combined with the Constitution supernova data to the Chevallier-Polarski-Linder model. We find that the difference stems from the different values of Ω{sub m0}. We also fit the observational data to the model independent piecewise constant parametrization. Four redshift bins with boundaries at z = 0.22, 0.53, 0.85 and 1.8 were chosen for the piecewise constant parametrization of the equation of state parametermore » w(z) of dark energy. We find no significant evidence for evolving w(z). With the addition of the Hubble parameter, the constraint on the equation of state parameter at high redshift is improved by 70%. The marginalization of the nuisance parameter connected to the supernova distance modulus is discussed.« less

Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model

PubMed Central

Pande, Vijay S.; Head-Gordon, Teresa; Ponder, Jay W.

2016-01-01

A set of improved parameters for the AMOEBA polarizable atomic multipole water model is developed. The protocol uses an automated procedure, ForceBalance, to adjust model parameters to enforce agreement with ab initio-derived results for water clusters and experimentally obtained data for a variety of liquid phase properties across a broad temperature range. The values reported here for the new AMOEBA14 water model represent a substantial improvement over the previous AMOEBA03 model. The new AMOEBA14 water model accurately predicts the temperature of maximum density and qualitatively matches the experimental density curve across temperatures ranging from 249 K to 373 K. Excellent agreement is observed for the AMOEBA14 model in comparison to a variety of experimental properties as a function of temperature, including the 2nd virial coefficient, enthalpy of vaporization, isothermal compressibility, thermal expansion coefficient and dielectric constant. The viscosity, self-diffusion constant and surface tension are also well reproduced. In comparison to high-level ab initio results for clusters of 2 to 20 water molecules, the AMOEBA14 model yields results similar to the AMOEBA03 and the direct polarization iAMOEBA models. With advances in computing power, calibration data, and optimization techniques, we recommend the use of the AMOEBA14 water model for future studies employing a polarizable water model. PMID:25683601

Nonlinear spherical perturbations in quintessence models of dark energy

NASA Astrophysics Data System (ADS)

Pratap Rajvanshi, Manvendra; Bagla, J. S.

2018-06-01

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

Experimental and computational results on exciton/free-carrier ratio, hot/thermalized carrier diffusion, and linear/nonlinear rate constants affecting scintillator proportionality

NASA Astrophysics Data System (ADS)

Williams, R. T.; Grim, Joel Q.; Li, Qi; Ucer, K. B.; Bizarri, G. A.; Kerisit, S.; Gao, Fei; Bhattacharya, P.; Tupitsyn, E.; Rowe, E.; Buliga, V. M.; Burger, A.

2013-09-01

Models of nonproportional response in scintillators have highlighted the importance of parameters such as branching ratios, carrier thermalization times, diffusion, kinetic order of quenching, associated rate constants, and radius of the electron track. For example, the fraction ηeh of excitations that are free carriers versus excitons was shown by Payne and coworkers to have strong correlation with the shape of electron energy response curves from Compton-coincidence studies. Rate constants for nonlinear quenching are implicit in almost all models of nonproportionality, and some assumption about track radius must invariably be made if one is to relate linear energy deposition dE/dx to volume-based excitation density n (eh/cm3) in terms of which the rates are defined. Diffusion, affecting time-dependent track radius and thus density of excitations, has been implicated as an important factor in nonlinear light yield. Several groups have recently highlighted diffusion of hot electrons in addition to thermalized carriers and excitons in scintillators. However, experimental determination of many of these parameters in the insulating crystals used as scintillators has seemed difficult. Subpicosecond laser techniques including interband z scan light yield, fluence-dependent decay time, and transient optical absorption are now yielding experimental values for some of the missing rates and ratios needed for modeling scintillator response. First principles calculations and Monte Carlo simulations can fill in additional parameters still unavailable from experiment. As a result, quantitative modeling of scintillator electron energy response from independently determined material parameters is becoming possible on an increasingly firmer data base. This paper describes recent laser experiments, calculations, and numerical modeling of scintillator response.

Experimental and computational results on exciton/free-carrier ratio, hot/thermalized carrier diffusion, and linear/nonlinear rate constants affecting scintillator proportionality

DOE PAGES

Williams, R. T.; Grim, Joel Q.; Li, Qi; ...

2013-09-26

Models of nonproportional response in scintillators have highlighted the importance of parameters such as branching ratios, carrier thermalization times, diffusion, kinetic order of quenching, associated rate constants, and radius of the electron track. For example, the fraction ηeh of excitations that are free carriers versus excitons was shown by Payne and coworkers to have strong correlation with the shape of electron energy response curves from Compton-coincidence studies. Rate constants for nonlinear quenching are implicit in almost all models of nonproportionality, and some assumption about track radius must invariably be made if one is to relate linear energy deposition dE/dx tomore » volume-based excitation density n (eh/cm 3) in terms of which the rates are defined. Diffusion, affecting time-dependent track radius and thus density of excitations, has been implicated as an important factor in nonlinear light yield. Several groups have recently highlighted diffusion of hot electrons in addition to thermalized carriers and excitons in scintillators. However, experimental determination of many of these parameters in the insulating crystals used as scintillators has seemed difficult. Subpicosecond laser techniques including interband z scan light yield, fluence-dependent decay time, and transient optical absorption are now yielding experimental values for some of the missing rates and ratios needed for modeling scintillator response. First principles calculations and Monte Carlo simulations can fill in additional parameters still unavailable from experiment. As a result, quantitative modeling of scintillator electron energy response from independently determined material parameters is becoming possible on an increasingly firmer data base. This study describes recent laser experiments, calculations, and numerical modeling of scintillator response.« less

Modelling chemical depletion profiles in regolith

USGS Publications Warehouse

Brantley, S.L.; Bandstra, J.; Moore, J.; White, A.F.

2008-01-01

Chemical or mineralogical profiles in regolith display reaction fronts that document depletion of leachable elements or minerals. A generalized equation employing lumped parameters was derived to model such ubiquitously observed patterns:C = frac(C0, frac(C0 - Cx = 0, Cx = 0) exp (??ini ?? over(k, ??) ?? x) + 1)Here C, Cx = 0, and Co are the concentrations of an element at a given depth x, at the top of the reaction front, or in parent respectively. ??ini is the roughness of the dissolving mineral in the parent and k???? is a lumped kinetic parameter. This kinetic parameter is an inverse function of the porefluid advective velocity and a direct function of the dissolution rate constant times mineral surface area per unit volume regolith. This model equation fits profiles of concentration versus depth for albite in seven weathering systems and is consistent with the interpretation that the surface area (m2 mineral m- 3 bulk regolith) varies linearly with the concentration of the dissolving mineral across the front. Dissolution rate constants can be calculated from the lumped fit parameters for these profiles using observed values of weathering advance rate, the proton driving force, the geometric surface area per unit volume regolith and parent concentration of albite. These calculated values of the dissolution rate constant compare favorably to literature values. The model equation, useful for reaction fronts in both steady-state erosional and quasi-stationary non-erosional systems, incorporates the variation of reaction affinity using pH as a master variable. Use of this model equation to fit depletion fronts for soils highlights the importance of buffering of pH in the soil system. Furthermore, the equation should allow better understanding of the effects of important environmental variables on weathering rates. ?? 2008.

A novel pressure variation study on electronic structure, mechanical stability and thermodynamic properties of potassium based fluoroperovskite

NASA Astrophysics Data System (ADS)

Erum, Nazia; Azhar Iqbal, Muhammad

2017-09-01

The effect of pressure variation on stability, structural parameters, elastic constants, mechanical, electronic and thermodynamic properties of cubic SrKF3 fluoroperovskite have been investigated by using the full-potential linearized augmented plane wave (FP-LAPW) method combined with Quasi-harmonic Debye model in which the phonon effects are considered. The calculated lattice parameters show a prominent decrease in lattice constant and bonds length with the increase in pressure. The application of pressure from 0 to 25 GPa reveals a predominant characteristic associated with widening of bandgap with GGA and GGA plus Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. The influence of pressure on elastic constants and their related mechanical parameters have been discussed in detail. Apart of linear dependence of elastic coefficients, transition from brittle to ductile behavior is also observed at elevated pressure ranges. We have successfully computed variation of lattice constant, volume expansion, bulk modulus, Debye temperature and specific heat capacities at pressure and temperature in the range of 0-25 GPa and 0-600 K.

Physiological breakdown of Jeffrey six constant nanofluid flow in an endoscope with nonuniform wall

NASA Astrophysics Data System (ADS)

Nadeem, S.; Shaheen, A.; Hussain, S.

2015-12-01

This paper analyse the endoscopic effects of peristaltic nanofluid flow of Jeffrey six-constant fluid model in the presence of magnetohydrodynamics flow. The current problem is modeled in the cylindrical coordinate system and exact solutions are managed (where possible) under low Reynolds number and long wave length approximation. The influence of emerging parameters on temperature and velocity profile are discussed graphically. The velocity equation is solved analytically by utilizing the homotopy perturbation technique strongly, while the exact solutions are computed from temperature equation. The obtained expressions for velocity , concentration and temperature is sketched during graphs and the collision of assorted parameters is evaluate for transform peristaltic waves. The solution depend on thermophoresis number Nt, local nanoparticles Grashof number Gr, and Brownian motion number Nb. The obtained expressions for the velocity, temperature, and nanoparticles concentration profiles are plotted and the impact of various physical parameters are investigated for different peristaltic waves.

VERIFICATION AND VALIDATION OF THE SPARC MODEL

EPA Science Inventory

Mathematical models for predicting the transport and fate of pollutants in the environment require reactivity parameter values--that is, the physical and chemical constants that govern reactivity. Although empirical structure-activity relationships that allow estimation of some ...

Comparison of dark energy models after Planck 2015

NASA Astrophysics Data System (ADS)

Xu, Yue-Yao; Zhang, Xin

2016-11-01

We make a comparison for ten typical, popular dark energy models according to their capabilities of fitting the current observational data. The observational data we use in this work include the JLA sample of type Ia supernovae observation, the Planck 2015 distance priors of cosmic microwave background observation, the baryon acoustic oscillations measurements, and the direct measurement of the Hubble constant. Since the models have different numbers of parameters, in order to make a fair comparison, we employ the Akaike and Bayesian information criteria to assess the worth of the models. The analysis results show that, according to the capability of explaining observations, the cosmological constant model is still the best one among all the dark energy models. The generalized Chaplygin gas model, the constant w model, and the α dark energy model are worse than the cosmological constant model, but still are good models compared to others. The holographic dark energy model, the new generalized Chaplygin gas model, and the Chevalliear-Polarski-Linder model can still fit the current observations well, but from an economically feasible perspective, they are not so good. The new agegraphic dark energy model, the Dvali-Gabadadze-Porrati model, and the Ricci dark energy model are excluded by the current observations.

Determination of rate constants and branching ratios for TCE degradation by zero-valent iron using a chain decay multispecies model.

PubMed

Hwang, Hyoun-Tae; Jeen, Sung-Wook; Sudicky, Edward A; Illman, Walter A

2015-01-01

The applicability of a newly-developed chain-decay multispecies model (CMM) was validated by obtaining kinetic rate constants and branching ratios along the reaction pathways of trichloroethene (TCE) reduction by zero-valent iron (ZVI) from column experiments. Changes in rate constants and branching ratios for individual reactions for degradation products over time for two columns under different geochemical conditions were examined to provide ranges of those parameters expected over the long-term. As compared to the column receiving deionized water, the column receiving dissolved CaCO3 showed higher mean degradation rates for TCE and all of its degradation products. However, the column experienced faster reactivity loss toward TCE degradation due to precipitation of secondary carbonate minerals, as indicated by a higher value for the ratio of maximum to minimum TCE degradation rate observed over time. From the calculated branching ratios, it was found that TCE and cis-dichloroethene (cis-DCE) were dominantly dechlorinated to chloroacetylene and acetylene, respectively, through reductive elimination for both columns. The CMM model, validated by the column test data in this study, provides a convenient tool to determine simultaneously the critical design parameters for permeable reactive barriers and natural attenuation such as rate constants and branching ratios. Copyright © 2015 Elsevier B.V. All rights reserved.

Predictions from star formation in the multiverse

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

Bousso, Raphael; Leichenauer, Stefan

2010-03-15

We compute trivariate probability distributions in the landscape, scanning simultaneously over the cosmological constant, the primordial density contrast, and spatial curvature. We consider two different measures for regulating the divergences of eternal inflation, and three different models for observers. In one model, observers are assumed to arise in proportion to the entropy produced by stars; in the others, they arise at a fixed time (5 or 10x10{sup 9} years) after star formation. The star formation rate, which underlies all our observer models, depends sensitively on the three scanning parameters. We employ a recently developed model of star formation in themore » multiverse, a considerable refinement over previous treatments of the astrophysical and cosmological properties of different pocket universes. For each combination of observer model and measure, we display all single and bivariate probability distributions, both with the remaining parameter(s) held fixed and marginalized. Our results depend only weakly on the observer model but more strongly on the measure. Using the causal diamond measure, the observed parameter values (or bounds) lie within the central 2{sigma} of nearly all probability distributions we compute, and always within 3{sigma}. This success is encouraging and rather nontrivial, considering the large size and dimension of the parameter space. The causal patch measure gives similar results as long as curvature is negligible. If curvature dominates, the causal patch leads to a novel runaway: it prefers a negative value of the cosmological constant, with the smallest magnitude available in the landscape.« less

Theoretical and experimental study on the effects of particle size and temperature on the reaction kinetics of cubic nano-Cu2O

NASA Astrophysics Data System (ADS)

Tang, Huanfeng; Huang, Zaiyin; Xiao, Ming; Liang, Min; Chen, Liying; Tan, XueCai

2017-09-01

The activities, selectivities, and stabilities of nanoparticles in heterogeneous reactions are size-dependent. In order to investigate the influencing laws of particle size and temperature on kinetic parameters in heterogeneous reactions, cubic nano-Cu2O particles of four different sizes in the range of 40-120 nm have been controllably synthesized. In situ microcalorimetry has been used to attain thermodynamic data on the reaction of Cu2O with aqueous HNO3 and, combined with thermodynamic principles and kinetic transition-state theory, the relevant reaction kinetic parameters have been evaluated. The size dependences of the kinetic parameters are discussed in terms of the established kinetic model and the experimental results. It was found that the reaction rate constants increased with decreasing particle size. Accordingly, the apparent activation energy, pre-exponential factor, activation enthalpy, activation entropy, and activation Gibbs energy decreased with decreasing particle size. The reaction rate constants and activation Gibbs energies increased with increasing temperature. Moreover, the logarithms of the apparent activation energies, pre-exponential factors, and rate constants were found to be linearly related to the reciprocal of particle size, consistent with the kinetic models. The influence of particle size on these reaction kinetic parameters may be explained as follows: the apparent activation energy is affected by the partial molar enthalpy, the pre-exponential factor is affected by the partial molar entropy, and the reaction rate constant is affected by the partial molar Gibbs energy. [Figure not available: see fulltext.

Exploring the evolution of color-luminosity parameter β and its effects on parameter estimation

NASA Astrophysics Data System (ADS)

Wang, Shuang; Li, Yun-He; Zhang, Xin

2014-03-01

It has been found in previous studies that, for the Supernova Legacy Survey three-year (SNLS3) data, there is strong evidence for the redshift evolution of color-luminosity parameter β. In this paper, using the three simplest dark energy models, i.e., the Λ-cold-dark-matter (ΛCDM) model, the wCDM model, and the Chevallier-Polarski-Linder model, we further explore the evolution of β and its effects on parameter estimation. In addition to the SNLS3 data, we also take into account the Planck distance priors data of the cosmic microwave background (CMB), as well as the latest galaxy clustering (GC) data extracted from SDSS DR7 and BOSS. We find that, for all the models, adding a parameter of β can reduce χmin2 by ˜36, indicating that β1=0 is ruled out at 6σ confidence levels. In other words, β deviates from a constant at 6σ confidence levels. This conclusion is insensitive to the dark energy models considered, showing the importance of considering the evolution of β in the cosmology fits. Furthermore, it is found that varying β can significantly change the fitting results of various cosmological parameters: using the SNLS3 data alone, varying β yields a larger Ωm for the ΛCDM model; using the SNLS3+CMB +GC data, varying β yields a larger Ωm and a smaller h for all the models. Moreover, we find that these results are much closer to those given by the CMB +GC data compared to the cases of treating β as a constant. This indicates that considering the evolution of β is very helpful for reducing the tension between supernova and other cosmological observations.

A model for the kinetics of a solar-pumped long path laser experiment

NASA Technical Reports Server (NTRS)

Stock, L. V.; Wilson, J. W.; Deyoung, R. J.

1986-01-01

A kinetic model for a solar-simulator pumped iodine laser system is developed and compared to an experiment in which the solar simulator output is dispersed over a large active volume (150 cu cm) with low simulator light intensity (approx. 200 solar constants). A trace foreign gas which quenches the upper level is introduced into the model. Furthermore, a constant representing optical absorption of the stimulated emission is introduced, in addition to a constant representing the scattering at each of the mirrors, via the optical cavity time constant. The non-uniform heating of the gas is treated as well as the pressure change as a function of time within the cavity. With these new phenomena introduced into the kinetic model, a best reasonable fit to the experimental data is found by adjusting the reaction rate coefficients within the range of known uncertainty by numerical methods giving a new bound within this range of uncertainty. The experimental parameters modeled are the lasing time, laser pulse energy, and time to laser threshold.

Updated reduced CMB data and constraints on cosmological parameters

NASA Astrophysics Data System (ADS)

Cai, Rong-Gen; Guo, Zong-Kuan; Tang, Bo

2015-07-01

We obtain the reduced CMB data {lA, R, z∗} from WMAP9, WMAP9+BKP, Planck+WP and Planck+WP+BKP for the ΛCDM and wCDM models with or without spatial curvature. We then use these reduced CMB data in combination with low-redshift observations to put constraints on cosmological parameters. We find that including BKP results in a higher value of the Hubble constant especially when the equation of state (EOS) of dark energy and curvature are allowed to vary. For the ΛCDM model with curvature, the estimate of the Hubble constant with Planck+WP+Lensing is inconsistent with the one derived from Planck+WP+BKP at about 1.2σ confidence level (CL).

Assessing composition and structure of soft biphasic media from Kelvin-Voigt fractional derivative model parameters

NASA Astrophysics Data System (ADS)

Zhang, Hongmei; Wang, Yue; Fatemi, Mostafa; Insana, Michael F.

2017-03-01

Kelvin-Voigt fractional derivative (KVFD) model parameters have been used to describe viscoelastic properties of soft tissues. However, translating model parameters into a concise set of intrinsic mechanical properties related to tissue composition and structure remains challenging. This paper begins by exploring these relationships using a biphasic emulsion materials with known composition. Mechanical properties are measured by analyzing data from two indentation techniques—ramp-stress relaxation and load-unload hysteresis tests. Material composition is predictably correlated with viscoelastic model parameters. Model parameters estimated from the tests reveal that elastic modulus E 0 closely approximates the shear modulus for pure gelatin. Fractional-order parameter α and time constant τ vary monotonically with the volume fraction of the material’s fluid component. α characterizes medium fluidity and the rate of energy dissipation, and τ is a viscous time constant. Numerical simulations suggest that the viscous coefficient η is proportional to the energy lost during quasi-static force-displacement cycles, E A . The slope of E A versus η is determined by α and the applied indentation ramp time T r. Experimental measurements from phantom and ex vivo liver data show close agreement with theoretical predictions of the η -{{E}A} relation. The relative error is less than 20% for emulsions 22% for liver. We find that KVFD model parameters form a concise features space for biphasic medium characterization that described time-varying mechanical properties. The experimental work was carried out at the Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA. Methodological development, including numerical simulation and all data analysis, were carried out at the school of Life Science and Technology, Xi’an JiaoTong University, 710049, China.

Identification of elastic, dielectric, and piezoelectric constants in piezoceramic disks.

PubMed

Perez, Nicolas; Andrade, Marco A B; Buiochi, Flavio; Adamowski, Julio C

2010-12-01

Three-dimensional modeling of piezoelectric devices requires a precise knowledge of piezoelectric material parameters. The commonly used piezoelectric materials belong to the 6mm symmetry class, which have ten independent constants. In this work, a methodology to obtain precise material constants over a wide frequency band through finite element analysis of a piezoceramic disk is presented. Given an experimental electrical impedance curve and a first estimate for the piezoelectric material properties, the objective is to find the material properties that minimize the difference between the electrical impedance calculated by the finite element method and that obtained experimentally by an electrical impedance analyzer. The methodology consists of four basic steps: experimental measurement, identification of vibration modes and their sensitivity to material constants, a preliminary identification algorithm, and final refinement of the material constants using an optimization algorithm. The application of the methodology is exemplified using a hard lead zirconate titanate piezoceramic. The same methodology is applied to a soft piezoceramic. The errors in the identification of each parameter are statistically estimated in both cases, and are less than 0.6% for elastic constants, and less than 6.3% for dielectric and piezoelectric constants.

Simple liquid models with corrected dielectric constants

PubMed Central

Fennell, Christopher J.; Li, Libo; Dill, Ken A.

2012-01-01

Molecular simulations often use explicit-solvent models. Sometimes explicit-solvent models can give inaccurate values for basic liquid properties, such as the density, heat capacity, and permittivity, as well as inaccurate values for molecular transfer free energies. Such errors have motivated the development of more complex solvents, such as polarizable models. We describe an alternative here. We give new fixed-charge models of solvents for molecular simulations – water, carbon tetrachloride, chloroform and dichloromethane. Normally, such solvent models are parameterized to agree with experimental values of the neat liquid density and enthalpy of vaporization. Here, in addition to those properties, our parameters are chosen to give the correct dielectric constant. We find that these new parameterizations also happen to give better values for other properties, such as the self-diffusion coefficient. We believe that parameterizing fixed-charge solvent models to fit experimental dielectric constants may provide better and more efficient ways to treat solvents in computer simulations. PMID:22397577

Estimating outflow facility through pressure dependent pathways of the human eye

PubMed Central

Gardiner, Bruce S.

2017-01-01

We develop and test a new theory for pressure dependent outflow from the eye. The theory comprises three main parameters: (i) a constant hydraulic conductivity, (ii) an exponential decay constant and (iii) a no-flow intraocular pressure, from which the total pressure dependent outflow, average outflow facilities and local outflow facilities for the whole eye may be evaluated. We use a new notation to specify precisely the meaning of model parameters and so model outputs. Drawing on a range of published data, we apply the theory to animal eyes, enucleated eyes and in vivo human eyes, and demonstrate how to evaluate model parameters. It is shown that the theory can fit high quality experimental data remarkably well. The new theory predicts that outflow facilities and total pressure dependent outflow for the whole eye are more than twice as large as estimates based on the Goldman equation and fluorometric analysis of anterior aqueous outflow. It appears likely that this discrepancy can be largely explained by pseudofacility and aqueous flow through the retinal pigmented epithelium, while any residual discrepancy may be due to pathological processes in aged eyes. The model predicts that if the hydraulic conductivity is too small, or the exponential decay constant is too large, then intraocular eye pressure may become unstable when subjected to normal circadian changes in aqueous production. The model also predicts relationships between variables that may be helpful when planning future experiments, and the model generates many novel testable hypotheses. With additional research, the analysis described here may find application in the differential diagnosis, prognosis and monitoring of glaucoma. PMID:29261696

On developing an optimal design procedure for a bimorph piezoelectric cantilever energy harvester under a predefined volume

NASA Astrophysics Data System (ADS)

Aboulfotoh, Noha; Twiefel, Jens

2018-06-01

A typical vibration harvester is tuned to operate at resonance in order to maximize the power output. There are many design parameter sets for tuning the harvester to a specific frequency, even for simple geometries. This work studies the impact of the geometrical parameters on the harvested power while keeping the resonance frequency constant in order to find the combination of the parameters that optimizes the power under a predefined volume. A bimorph piezoelectric cantilever is considered for the study. It consists of two piezoelectric layers and a middle non-piezoelectric layer and holds a tip mass. A theoretical model was derived to obtain the system parameters and the power as functions of the design parameters. Formulas for the optimal load resistance that provide maximum power capability at resonance and anti-resonance frequency were derived. The influence of the width on the power is studied, considering a constant mass ratio (between the tip mass and the mass of the beam). This keeps the resonance frequency constant while changing the width. The influence of the ratio between the thickness of the middle layer and that of the piezoelectric layer is also studied. It is assumed that the total thickness of the cantilever is constant and the middle layer has the same mechanical properties (elasticity and density) as the piezoelectric layer. This keeps the resonance frequency constant while changing the ratio between the thicknesses. Finally, the influence of increasing the free length as well as of increasing the mass ratio on the power is investigated. This is done by first, increasing each of them individually and secondly, by increasing each of them simultaneously while increasing the total thickness under the condition of maintaining a constant resonance frequency. Based on the analysis of these influences, recommendations as to how to maximize the geometrical parameters within the available volume and mass are presented.

Using Weighted Least Squares Regression for Obtaining Langmuir Sorption Constants

USDA-ARS?s Scientific Manuscript database

One of the most commonly used models for describing phosphorus (P) sorption to soils is the Langmuir model. To obtain model parameters, the Langmuir model is fit to measured sorption data using least squares regression. Least squares regression is based on several assumptions including normally dist...

Distribution-centric 3-parameter thermodynamic models of partition gas chromatography.

PubMed

Blumberg, Leonid M

2017-03-31

If both parameters (the entropy, ΔS, and the enthalpy, ΔH) of the classic van't Hoff model of dependence of distribution coefficients (K) of analytes on temperature (T) are treated as the temperature-independent constants then the accuracy of the model is known to be insufficient for the needed accuracy of retention time prediction. A more accurate 3-parameter Clarke-Glew model offers a way to treat ΔS and ΔH as functions, ΔS(T) and ΔH(T), of T. A known T-centric construction of these functions is based on relating them to the reference values (ΔS ref and ΔH ref ) corresponding to a predetermined reference temperature (T ref ). Choosing a single T ref for all analytes in a complex sample or in a large database might lead to practically irrelevant values of ΔS ref and ΔH ref for those analytes that have too small or too large retention factors at T ref . Breaking all analytes in several subsets each with its own T ref leads to discontinuities in the analyte parameters. These problems are avoided in the K-centric modeling where ΔS(T) and ΔS(T) and other analyte parameters are described in relation to their values corresponding to a predetermined reference distribution coefficient (K Ref ) - the same for all analytes. In this report, the mathematics of the K-centric modeling are described and the properties of several types of K-centric parameters are discussed. It has been shown that the earlier introduced characteristic parameters of the analyte-column interaction (the characteristic temperature, T char , and the characteristic thermal constant, θ char ) are a special chromatographically convenient case of the K-centric parameters. Transformations of T-centric parameters into K-centric ones and vice-versa as well as the transformations of one set of K-centric parameters into another set and vice-versa are described. Copyright © 2017 Elsevier B.V. All rights reserved.

A variational theory of Hall effect of Anderson lattice model: Application to colossal magnetoresistance manganites (Re1-x Ax MnO3)

NASA Astrophysics Data System (ADS)

Panwar, Sunil; Kumar, Vijay; Singh, Ishwar

2017-10-01

An anomalous Hall constant RH has been observed in various rare earth manganites doped with alkaline earths namely Re1-xAxMnO3 (where Re = La, Pr, Nd etc., and A = Ca, Sr, Ba etc.) which exhibit colossal magnetoresistance (CMR), metal- insulator transition and many other poorly understood phenomena. We show that this phenomenon of anomalous Hall constant can be understood using two band (ℓ-b) Anderson lattice model Hamiltonian alongwith (ℓ-b) hybridization recently studied by us for manganites in the strong electron-lattice Jahn-Teller (JT) coupling regime an approach similar to the two - fluid models. We use a variational method in this work to study the temperature variation of Hall constant RH (T) in these compounds. We have already used this variational method to study the zero field electrical resistivity ρ (T) and magnetic susceptibility of doped CMR manganites. In the present study, we find that the Hall constant RH (T) reduces with increasing magnetic field parameters h&m and the metal-insulator transition temperature (Tρ) shifts towards higher temperature region. We have also observed the role of the model parameters e.g. local Coulomb repulsion U, Hund's rule coupling JH between eg spins and t2g spins, ferromagnetic nearest neighbor exchange coupling JF between t2g core spins and hybridization Vk between ℓ-polarons and d-electrons on Hall constant RH (T) of these materials at different magnetic fields. Here we find that RH (T) for a particular value of h and m shows a rapid initial increase, followed by a sharp peak at low temperature say 50 K in our case and a slow decrease at high temperatures, resembling with the key feature of many CMR compounds like La0.8Ba0.2 MnO3.The magnitude of RH (T) reduces and the anomaly (sharp peak) in RH becomes broader and shifts towards higher temperature region on increasing Vk or JH or doping x and even vanishes on further increasing these parameters. Our results of anomalous Hall constant (RH) have same qualitative behavior as the zero-field electrical resistivity. Moreover Hall Constant (RH) shows positive values indicating that the carriers in these manganites are holes.

A Linearized and Incompressible Constitutive Model for Arteries

PubMed Central

Liu, Y.; Zhang, W.; Wang, C.; Kassab, G. S.

2011-01-01

In many biomechanical studies, blood vessels can be modeled as pseudoelastic orthotropic materials that are incompressible (volume-preserving) under physiological loading. To use a minimum number of elastic constants to describe the constitutive behavior of arteries, we adopt a generalized Hooke’s law for the co-rotational Cauchy stress and a recently proposed logarithmic-exponential strain. This strain tensor absorbs the material nonlinearity and its trace is zero for volume-preserving deformations. Thus, the relationships between model parameters due to the incompressibility constraint are easy to analyze and interpret. In particular, the number of independent elastic constants reduces from ten to seven in the orthotropic model. As an illustratory study, we fit this model to measured data of porcine coronary arteries in inflation-stretch tests. Four parameters, n (material nonlinearity), Young’s moduli E1 (circumferential), E2 (axial), and E3 (radial) are necessary to fit the data. The advantages and limitations of this model are discussed. PMID:21605567

A linearized and incompressible constitutive model for arteries.

PubMed

Liu, Y; Zhang, W; Wang, C; Kassab, G S

2011-10-07

In many biomechanical studies, blood vessels can be modeled as pseudoelastic orthotropic materials that are incompressible (volume-preserving) under physiological loading. To use a minimum number of elastic constants to describe the constitutive behavior of arteries, we adopt a generalized Hooke's law for the co-rotational Cauchy stress and a recently proposed logarithmic-exponential strain. This strain tensor absorbs the material nonlinearity and its trace is zero for volume-preserving deformations. Thus, the relationships between model parameters due to the incompressibility constraint are easy to analyze and interpret. In particular, the number of independent elastic constants reduces from ten to seven in the orthotropic model. As an illustratory study, we fit this model to measured data of porcine coronary arteries in inflation-stretch tests. Four parameters, n (material nonlinearity), Young's moduli E₁ (circumferential), E₂ (axial), and E₃ (radial) are necessary to fit the data. The advantages and limitations of this model are discussed. Copyright © 2011 Elsevier Ltd. All rights reserved.

Cosmological constraints and comparison of viable f (R ) models

NASA Astrophysics Data System (ADS)

Pérez-Romero, Judit; Nesseris, Savvas

2018-01-01

In this paper we present cosmological constraints on several well-known f (R ) models, but also on a new class of models that are variants of the Hu-Sawicki one of the form f (R )=R -2/Λ 1 +b y (R ,Λ ) , that interpolate between the cosmological constant model and a matter dominated universe for different values of the parameter b , which is usually expected to be small for viable models and which in practice measures the deviation from general relativity. We use the latest growth rate, cosmic microwave background, baryon acoustic oscillations, supernovae type Ia and Hubble parameter data to place stringent constraints on the models and to compare them to the cosmological constant model but also other viable f (R ) models such as the Starobinsky or the degenerate hypergeometric models. We find that these kinds of Hu-Sawicki variant parametrizations are in general compatible with the currently available data and can provide useful toy models to explore the available functional space of f (R ) models, something very useful with the current and upcoming surveys that will test deviations from general relativity.

Examination of Effective Dielectric Constants Derived from Non-Spherical Melting Hydrometeor

NASA Astrophysics Data System (ADS)

Liao, L.; Meneghini, R.

2009-04-01

The bright band, a layer of enhanced radar echo associated with melting hydrometeors, is often observed in stratiform rain. Understanding the microphysical properties of melting hydrometeors and their scattering and propagation effects is of great importance in accurately estimating parameters of the precipitation from spaceborne radar and radiometers. However, one of the impediments in the study of the radar signature of the melting layer is the determination of effective dielectric constants of melting hydrometeors. Although a number of mixing formulas are available to compute the effective dielectric constants, their results vary to a great extent when water is a component of the mixture, such as in the case of melting snow. It is also physically unclear as to how to select among these various formulas. Furthermore, the question remains as to whether these mixing formulas can be applied to computations of radar polarimetric parameters from non-spherical melting particles. Recently, several approaches using numerical methods have been developed to derive the effective dielectric constants of melting hydrometeors, i.e., mixtures consisting of air, ice and water, based on more realistic melting models of particles, in which the composition of the melting hydrometeor is divided into a number of identical cells. Each of these cells is then assigned in a probabilistic way to be water, ice or air according to the distribution of fractional water contents for a particular particle. While the derived effective dielectric constants have been extensively tested at various wavelengths over a range of particle sizes, these numerical experiments have been restricted to the co-polarized scattering parameters from spherical particles. As polarimetric radar has been increasingly used in the study of microphysical properties of hydrometeors, an extension of the theory to polarimetric variables should provide additional information on melting processes. To account for polarimetric radar measurements from melting hydrometeors, it is necessary to move away from the restriction that the melting particles are spherical. In this study, our primary focus is on the derivation of the effective dielectric constants of non-spherical particles that are mixtures of ice and water. The computational model for the ice-water particle is described by a collection of 128x128x128 cubic cells of identical size. Because of the use of such a high-resolution model, the particles can be described accurately not only with regard to shape but with respect to structure as well. The Cartesian components of the mean internal electric field of particles, which are used to infer the effective dielectric constants, are calculated at each cell by the use of the Conjugate Gradient-Fast Fourier Transform (CG-FFT) numerical method. In this work we first check the validity of derived effective dielectric constant from a non-spherical mixed phase particle by comparing the polarimetric scattering parameters of an ice-water spheroid obtained from the CGFFT to those computed from the T-matrix for a homogeneous particle with the same geometry as that of the mixed phase particle (such as size, shape and orientation) and with an effective dielectric constant derived from the internal field of the mixed-phase particle. The accuracy of the effective dielectric constant can be judged by whether the scattering parameters of interest can accurately reproduce those of the exact solution, i.e., the T-matrix results. The purpose of defining an effective dielectric constant is to reduce the complexity of the scattering calculations in the sense that the effective dielectric constant, once obtained, may be applicable to a range of particle sizes, shapes and orientations. Conversely, if a different effective dielectric constant is needed for each particle size or shape, then its utility would be marginal. Having verified that the effective dielectric constant defined for a particular particle with a fixed shape, size, and orientation is valid, a check is performed to see if this effective dielectric constant can be used to characterize a class of particle types (with arbitrary sizes, shapes and orientations) if the fractional ice-water contents of melting particles remain the same. Among the scattering and polarimatric parameters used for examination of effective dielectric constant in this study, are the radar backscattering, extinction and scattering coefficients, asymmetry factor, differential reflectivity factor (ZDR), phase shift and linear polarization ratio (LDR). The goal is to determine whether the effective dielectric constant approach provides a means to compute accurately the radar polarimetric scattering parameters and radiometer brightness temperature quantities from the melting layer in a relatively simple and efficient way.

Air drying modelling of Mastocarpus stellatus seaweed a source of hybrid carrageenan

NASA Astrophysics Data System (ADS)

Arufe, Santiago; Torres, Maria D.; Chenlo, Francisco; Moreira, Ramon

2018-01-01

Water sorption isotherms from 5 up to 65 °C and air drying kinetics at 35, 45 and 55 °C of Mastocarpus stellatus seaweed were determined. Experimental sorption data were modelled using BET and Oswin models. A four-parameter model, based on Oswin model, was proposed to estimate equilibrium moisture content as function of water activity and temperature simultaneously. Drying experiments showed that water removal rate increased significantly with temperature from 35 to 45 °C, but at higher temperatures drying rate remained constant. Some chemical modifications of the hybrid carrageenans present in the seaweed can be responsible of this unexpected thermal trend. Experimental drying data were modelled using two-parameter Page model (n, k). Page parameter n was constant (1.31 ± 0.10) at tested temperatures, but k varied significantly with drying temperature (from 18.5 ± 0.2 10-3 min-n at 35 °C up to 28.4 ± 0.8 10-3 min-n at 45 and 55 °C). Drying experiments allowed the determination of the critical moisture content of seaweed (0.87 ± 0.06 kg water (kg d.b.)-1). A diffusional model considering slab geometry was employed to determine the effective diffusion coefficient of water during the falling rate period at different temperatures.

Fine-structure constant constraints on dark energy. II. Extending the parameter space

NASA Astrophysics Data System (ADS)

Martins, C. J. A. P.; Pinho, A. M. M.; Carreira, P.; Gusart, A.; López, J.; Rocha, C. I. S. A.

2016-01-01

Astrophysical tests of the stability of fundamental couplings, such as the fine-structure constant α , are a powerful probe of new physics. Recently these measurements, combined with local atomic clock tests and Type Ia supernova and Hubble parameter data, were used to constrain the simplest class of dynamical dark energy models where the same degree of freedom is assumed to provide both the dark energy and (through a dimensionless coupling, ζ , to the electromagnetic sector) the α variation. One caveat of these analyses was that it was based on fiducial models where the dark energy equation of state was described by a single parameter (effectively its present day value, w0). Here we relax this assumption and study broader dark energy model classes, including the Chevallier-Polarski-Linder and early dark energy parametrizations. Even in these extended cases we find that the current data constrains the coupling ζ at the 1 0-6 level and w0 to a few percent (marginalizing over other parameters), thus confirming the robustness of earlier analyses. On the other hand, the additional parameters are typically not well constrained. We also highlight the implications of our results for constraints on violations of the weak equivalence principle and improvements to be expected from forthcoming measurements with high-resolution ultrastable spectrographs.

Gravitational lensing effects in a time-variable cosmological 'constant' cosmology

NASA Technical Reports Server (NTRS)

Ratra, Bharat; Quillen, Alice

1992-01-01

A scalar field phi with a potential V(phi) varies as phi exp -alpha(alpha is greater than 0) has an energy density, behaving like that of a time-variable cosmological 'constant', that redshifts less rapidly than the energy densities of radiation and matter, and so might contribute significantly to the present energy density. We compute, in this spatially flat cosmology, the gravitational lensing optical depth, and the expected lens redshift distribution for fixed source redshift. We find, for the values of alpha of about 4 and baryonic density parameter Omega of about 0.2 consistent with the classical cosmological tests, that the optical depth is significantly smaller than that in a constant-Lambda model with the same Omega. We also find that the redshift of the maximum of the lens distribution falls between that in the constant-Lambda model and that in the Einstein-de Sitter model.

A Three-Parameter Model for Predicting Fatigue Life of Ductile Metals Under Constant Amplitude Multiaxial Loading

NASA Astrophysics Data System (ADS)

Liu, Jia; Li, Jing; Zhang, Zhong-ping

2013-04-01

In this article, a fatigue damage parameter is proposed to assess the multiaxial fatigue lives of ductile metals based on the critical plane concept: Fatigue crack initiation is controlled by the maximum shear strain, and the other important effect in the fatigue damage process is the normal strain and stress. This fatigue damage parameter introduces a stress-correlated factor, which describes the degree of the non-proportional cyclic hardening. Besides, a three-parameter multiaxial fatigue criterion is used to correlate the fatigue lifetime of metallic materials with the proposed damage parameter. Under the uniaxial loading, this three-parameter model reduces to the recently developed Zhang's model for predicting the uniaxial fatigue crack initiation life. The accuracy and reliability of this three-parameter model are checked against the experimental data found in literature through testing six different ductile metals under various strain paths with zero/non-zero mean stress.

Estimating varying coefficients for partial differential equation models.

PubMed

Zhang, Xinyu; Cao, Jiguo; Carroll, Raymond J

2017-09-01

Partial differential equations (PDEs) are used to model complex dynamical systems in multiple dimensions, and their parameters often have important scientific interpretations. In some applications, PDE parameters are not constant but can change depending on the values of covariates, a feature that we call varying coefficients. We propose a parameter cascading method to estimate varying coefficients in PDE models from noisy data. Our estimates of the varying coefficients are shown to be consistent and asymptotically normally distributed. The performance of our method is evaluated by a simulation study and by an empirical study estimating three varying coefficients in a PDE model arising from LIDAR data. © 2017, The International Biometric Society.

Parameter Estimation for Viscoplastic Material Modeling

NASA Technical Reports Server (NTRS)

Saleeb, Atef F.; Gendy, Atef S.; Wilt, Thomas E.

1997-01-01

A key ingredient in the design of engineering components and structures under general thermomechanical loading is the use of mathematical constitutive models (e.g. in finite element analysis) capable of accurate representation of short and long term stress/deformation responses. In addition to the ever-increasing complexity of recent viscoplastic models of this type, they often also require a large number of material constants to describe a host of (anticipated) physical phenomena and complicated deformation mechanisms. In turn, the experimental characterization of these material parameters constitutes the major factor in the successful and effective utilization of any given constitutive model; i.e., the problem of constitutive parameter estimation from experimental measurements.

Application of surface complexation models to anion adsorption by natural materials.

PubMed

Goldberg, Sabine

2014-10-01

Various chemical models of ion adsorption are presented and discussed. Chemical models, such as surface complexation models, provide a molecular description of anion adsorption reactions using an equilibrium approach. Two such models, the constant capacitance model and the triple layer model, are described in the present study. Characteristics common to all the surface complexation models are equilibrium constant expressions, mass and charge balances, and surface activity coefficient electrostatic potential terms. Methods for determining parameter values for surface site density, capacitances, and surface complexation constants also are discussed. Spectroscopic experimental methods of establishing ion adsorption mechanisms include vibrational spectroscopy, nuclear magnetic resonance spectroscopy, electron spin resonance spectroscopy, X-ray absorption spectroscopy, and X-ray reflectivity. Experimental determinations of point of zero charge shifts and ionic strength dependence of adsorption results and molecular modeling calculations also can be used to deduce adsorption mechanisms. Applications of the surface complexation models to heterogeneous natural materials, such as soils, using the component additivity and the generalized composite approaches are described. Emphasis is on the generalized composite approach for predicting anion adsorption by soils. Continuing research is needed to develop consistent and realistic protocols for describing ion adsorption reactions on soil minerals and soils. The availability of standardized model parameter databases for use in chemical speciation-transport models is critical. Published 2014 Wiley Periodicals Inc. on behalf of SETAC. This article is a US Government work and as such, is in the public domain in the in the United States of America.

Comparison of dark energy models: A perspective from the latest observational data

NASA Astrophysics Data System (ADS)

Li, Miao; Li, Xiaodong; Zhang, Xin

2010-09-01

We compare some popular dark energy models under the assumption of a flat universe by using the latest observational data including the type Ia supernovae Constitution compilation, the baryon acoustic oscillation measurement from the Sloan Digital Sky Survey, the cosmic microwave background measurement given by the seven-year Wilkinson Microwave Anisotropy Probe observations and the determination of H 0 from the Hubble Space Telescope. Model comparison statistics such as the Bayesian and Akaike information criteria are applied to assess the worth of the models. These statistics favor models that give a good fit with fewer parameters. Based on this analysis, we find that the simplest cosmological constant model that has only one free parameter is still preferred by the current data. For other dynamical dark energy models, we find that some of them, such as the α dark energy, constant w, generalized Chaplygin gas, Chevalliear-Polarski-Linder parametrization, and holographic dark energy models, can provide good fits to the current data, and three of them, namely, the Ricci dark energy, agegraphic dark energy, and Dvali-Gabadadze-Porrati models, are clearly disfavored by the data.

Kinetics of hydrogen peroxide decomposition by catalase: hydroxylic solvent effects.

PubMed

Raducan, Adina; Cantemir, Anca Ruxandra; Puiu, Mihaela; Oancea, Dumitru

2012-11-01

The effect of water-alcohol (methanol, ethanol, propan-1-ol, propan-2-ol, ethane-1,2-diol and propane-1,2,3-triol) binary mixtures on the kinetics of hydrogen peroxide decomposition in the presence of bovine liver catalase is investigated. In all solvents, the activity of catalase is smaller than in water. The results are discussed on the basis of a simple kinetic model. The kinetic constants for product formation through enzyme-substrate complex decomposition and for inactivation of catalase are estimated. The organic solvents are characterized by several physical properties: dielectric constant (D), hydrophobicity (log P), concentration of hydroxyl groups ([OH]), polarizability (α), Kamlet-Taft parameter (β) and Kosower parameter (Z). The relationships between the initial rate, kinetic constants and medium properties are analyzed by linear and multiple linear regression.

Planck constant as spectral parameter in integrable systems and KZB equations

NASA Astrophysics Data System (ADS)

Levin, A.; Olshanetsky, M.; Zotov, A.

2014-10-01

We construct special rational gl N Knizhnik-Zamolodchikov-Bernard (KZB) equations with Ñ punctures by deformation of the corresponding quantum gl N rational R-matrix. They have two parameters. The limit of the first one brings the model to the ordinary rational KZ equation. Another one is τ. At the level of classical mechanics the deformation parameter τ allows to extend the previously obtained modified Gaudin models to the modified Schlesinger systems. Next, we notice that the identities underlying generic (elliptic) KZB equations follow from some additional relations for the properly normalized R-matrices. The relations are noncommutative analogues of identities for (scalar) elliptic functions. The simplest one is the unitarity condition. The quadratic (in R matrices) relations are generated by noncommutative Fay identities. In particular, one can derive the quantum Yang-Baxter equations from the Fay identities. The cubic relations provide identities for the KZB equations as well as quadratic relations for the classical r-matrices which can be treated as halves of the classical Yang-Baxter equation. At last we discuss the R-matrix valued linear problems which provide gl Ñ CM models and Painlevé equations via the above mentioned identities. The role of the spectral parameter plays the Planck constant of the quantum R-matrix. When the quantum gl N R-matrix is scalar ( N = 1) the linear problem reproduces the Krichever's ansatz for the Lax matrices with spectral parameter for the gl Ñ CM models. The linear problems for the quantum CM models generalize the KZ equations in the same way as the Lax pairs with spectral parameter generalize those without it.

Application of the Zero-Order Reaction Rate Model and Transition State Theory to predict porous Ti6Al4V bending strength.

PubMed

Reig, L; Amigó, V; Busquets, D; Calero, J A; Ortiz, J L

2012-08-01

Porous Ti6Al4V samples were produced by microsphere sintering. The Zero-Order Reaction Rate Model and Transition State Theory were used to model the sintering process and to estimate the bending strength of the porous samples developed. The evolution of the surface area during the sintering process was used to obtain sintering parameters (sintering constant, activation energy, frequency factor, constant of activation and Gibbs energy of activation). These were then correlated with the bending strength in order to obtain a simple model with which to estimate the evolution of the bending strength of the samples when the sintering temperature and time are modified: σY=P+B·[lnT·t-ΔGa/R·T]. Although the sintering parameters were obtained only for the microsphere sizes analysed here, the strength of intermediate sizes could easily be estimated following this model. Copyright © 2012 Elsevier B.V. All rights reserved.

A spring-mass-damper system dynamics-based driver-vehicle integrated model for representing heterogeneous traffic

NASA Astrophysics Data System (ADS)

Munigety, Caleb Ronald

2018-04-01

The traditional traffic microscopic simulation models consider driver and vehicle as a single unit to represent the movements of drivers in a traffic stream. Due to this very fact, the traditional car-following models have the driver behavior related parameters, but ignore the vehicle related aspects. This approach is appropriate for homogeneous traffic conditions where car is the major vehicle type. However, in heterogeneous traffic conditions where multiple vehicle types are present, it becomes important to incorporate the vehicle related parameters exclusively to account for the varying dynamic and static characteristics. Thus, this paper presents a driver-vehicle integrated model hinged on the principles involved in physics-based spring-mass-damper mechanical system. While the spring constant represents the driver’s aggressiveness, the damping constant and the mass component take care of the stability and size/weight related aspects, respectively. The proposed model when tested, behaved pragmatically in representing the vehicle-type dependent longitudinal movements of vehicles.

Profile-Likelihood Approach for Estimating Generalized Linear Mixed Models with Factor Structures

ERIC Educational Resources Information Center

Jeon, Minjeong; Rabe-Hesketh, Sophia

2012-01-01

In this article, the authors suggest a profile-likelihood approach for estimating complex models by maximum likelihood (ML) using standard software and minimal programming. The method works whenever setting some of the parameters of the model to known constants turns the model into a standard model. An important class of models that can be…

Temperature and circulation in the stratospheres of the outer planets

NASA Technical Reports Server (NTRS)

Conrath, Barney J.; Gierasch, Peter J.; Leroy, Stephen S.

1989-01-01

A zonally symmetric, linear radiative-dynamical model is compared with observations of the upper tropospheres and stratospheres of the outer planets. Seasonal variation is included in the model. Friction is parameterized by linear drag (Rayleigh friction). Gas opacities are accounted for but aerosols are omitted. Horizontal temperature gradients are small on all the planets. Seasonal effects are strongest on Saturn and Neptune but are weak even in these cases, because the latitudinal gradient of radiative heating is weak. Seasonal effects on Uranus are extremely weak because the radiative time constant is longer that the orbital period. One free parameter in the model is the frictional time constant. Comparison with observed temperature perturbations over zonal currents in the troposphere shows that the frictional time constant is on the same order as the radiative time constant for all these objects. Vertical motions predicted by the model are extremely weak. They are much smaller than one scale height per orbital period, except in the immediate neighborhood of tropospheric and zonal currents.

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

Dirian, Yves; Foffa, Stefano; Kunz, Martin

We study the cosmological predictions of two recently proposed non-local modifications of General Relativity. Both models have the same number of parameters as ΛCDM, with a mass parameter m replacing the cosmological constant. We implement the cosmological perturbations of the non-local models into a modification of the CLASS Boltzmann code, and we make a full comparison to CMB, BAO and supernova data. We find that the non-local models fit these datasets very well, at the same level as ΛCDM. Among the vast literature on modified gravity models, this is, to our knowledge, the only example which fits data as wellmore » as ΛCDM without requiring any additional parameter. For both non-local models parameter estimation using Planck +JLA+BAO data gives a value of H{sub 0} slightly higher than in ΛCDM.« less

Sound propagation and absorption in foam - A distributed parameter model.

NASA Technical Reports Server (NTRS)

Manson, L.; Lieberman, S.

1971-01-01

Liquid-base foams are highly effective sound absorbers. A better understanding of the mechanisms of sound absorption in foams was sought by exploration of a mathematical model of bubble pulsation and coupling and the development of a distributed-parameter mechanical analog. A solution by electric-circuit analogy was thus obtained and transmission-line theory was used to relate the physical properties of the foams to the characteristic impedance and propagation constants of the analog transmission line. Comparison of measured physical properties of the foam with values obtained from measured acoustic impedance and propagation constants and the transmission-line theory showed good agreement. We may therefore conclude that the sound propagation and absorption mechanisms in foam are accurately described by the resonant response of individual bubbles coupled to neighboring bubbles.

Sensitivity analysis of a multilayer, finite-difference model of the Southeastern Coastal Plain regional aquifer system; Mississippi, Alabama, Georgia, and South Carolina

USGS Publications Warehouse

Pernik, Meribeth

1987-01-01

The sensitivity of a multilayer finite-difference regional flow model was tested by changing the calibrated values for five parameters in the steady-state model and one in the transient-state model. The parameters that changed under the steady-state condition were those that had been routinely adjusted during the calibration process as part of the effort to match pre-development potentiometric surfaces, and elements of the water budget. The tested steady-state parameters include: recharge, riverbed conductance, transmissivity, confining unit leakance, and boundary location. In the transient-state model, the storage coefficient was adjusted. The sensitivity of the model to changes in the calibrated values of these parameters was evaluated with respect to the simulated response of net base flow to the rivers, and the mean value of the absolute head residual. To provide a standard measurement of sensitivity from one parameter to another, the standard deviation of the absolute head residual was calculated. The steady-state model was shown to be most sensitive to changes in rates of recharge. When the recharge rate was held constant, the model was more sensitive to variations in transmissivity. Near the rivers, the riverbed conductance becomes the dominant parameter in controlling the heads. Changes in confining unit leakance had little effect on simulated base flow, but greatly affected head residuals. The model was relatively insensitive to changes in the location of no-flow boundaries and to moderate changes in the altitude of constant head boundaries. The storage coefficient was adjusted under transient conditions to illustrate the model 's sensitivity to changes in storativity. The model is less sensitive to an increase in storage coefficient than it is to a decrease in storage coefficient. As the storage coefficient decreased, the aquifer drawdown increases, the base flow decreased. The opposite response occurred when the storage coefficient was increased. (Author 's abstract)

Viscous cosmology in new holographic dark energy model and the cosmic acceleration

NASA Astrophysics Data System (ADS)

Singh, C. P.; Srivastava, Milan

2018-03-01

In this work, we study a flat Friedmann-Robertson-Walker universe filled with dark matter and viscous new holographic dark energy. We present four possible solutions of the model depending on the choice of the viscous term. We obtain the evolution of the cosmological quantities such as scale factor, deceleration parameter and transition redshift to observe the effect of viscosity in the evolution. We also emphasis upon the two independent geometrical diagnostics for our model, namely the statefinder and the Om diagnostics. In the first case we study new holographic dark energy model without viscous and obtain power-law expansion of the universe which gives constant deceleration parameter and statefinder parameters. In the limit of the parameter, the model approaches to Λ CDM model. In new holographic dark energy model with viscous, the bulk viscous coefficient is assumed as ζ =ζ 0+ζ 1H, where ζ 0 and ζ 1 are constants, and H is the Hubble parameter. In this model, we obtain all possible solutions with viscous term and analyze the expansion history of the universe. We draw the evolution graphs of the scale factor and deceleration parameter. It is observed that the universe transits from deceleration to acceleration for small values of ζ in late time. However, it accelerates very fast from the beginning for large values of ζ . By illustrating the evolutionary trajectories in r-s and r-q planes, we find that our model behaves as an quintessence like for small values of viscous coefficient and a Chaplygin gas like for large values of bulk viscous coefficient at early stage. However, model has close resemblance to that of the Λ CDM cosmology in late time. The Om has positive and negative curvatures for phantom and quintessence models, respectively depending on ζ . Our study shows that the bulk viscosity plays very important role in the expansion history of the universe.

Automated Method for Estimating Nutation Time Constant Model Parameters for Spacecraft Spinning on Axis

NASA Technical Reports Server (NTRS)

2008-01-01

Calculating an accurate nutation time constant (NTC), or nutation rate of growth, for a spinning upper stage is important for ensuring mission success. Spacecraft nutation, or wobble, is caused by energy dissipation anywhere in the system. Propellant slosh in the spacecraft fuel tanks is the primary source for this dissipation and, if it is in a state of resonance, the NTC can become short enough to violate mission constraints. The Spinning Slosh Test Rig (SSTR) is a forced-motion spin table where fluid dynamic effects in full-scale fuel tanks can be tested in order to obtain key parameters used to calculate the NTC. We accomplish this by independently varying nutation frequency versus the spin rate and measuring force and torque responses on the tank. This method was used to predict parameters for the Genesis, Contour, and Stereo missions, whose tanks were mounted outboard from the spin axis. These parameters are incorporated into a mathematical model that uses mechanical analogs, such as pendulums and rotors, to simulate the force and torque resonances associated with fluid slosh.

Analytically-derived sensitivities in one-dimensional models of solute transport in porous media

USGS Publications Warehouse

Knopman, D.S.

1987-01-01

Analytically-derived sensitivities are presented for parameters in one-dimensional models of solute transport in porous media. Sensitivities were derived by direct differentiation of closed form solutions for each of the odel, and by a time integral method for two of the models. Models are based on the advection-dispersion equation and include adsorption and first-order chemical decay. Boundary conditions considered are: a constant step input of solute, constant flux input of solute, and exponentially decaying input of solute at the upstream boundary. A zero flux is assumed at the downstream boundary. Initial conditions include a constant and spatially varying distribution of solute. One model simulates the mixing of solute in an observation well from individual layers in a multilayer aquifer system. Computer programs produce output files compatible with graphics software in which sensitivities are plotted as a function of either time or space. (USGS)

No Evidence for Extensions to the Standard Cosmological Model.

PubMed

Heavens, Alan; Fantaye, Yabebal; Sellentin, Elena; Eggers, Hans; Hosenie, Zafiirah; Kroon, Steve; Mootoovaloo, Arrykrishna

2017-09-08

We compute the Bayesian evidence for models considered in the main analysis of Planck cosmic microwave background data. By utilizing carefully defined nearest-neighbor distances in parameter space, we reuse the Monte Carlo Markov chains already produced for parameter inference to compute Bayes factors B for many different model-data set combinations. The standard 6-parameter flat cold dark matter model with a cosmological constant (ΛCDM) is favored over all other models considered, with curvature being mildly favored only when cosmic microwave background lensing is not included. Many alternative models are strongly disfavored by the data, including primordial correlated isocurvature models (lnB=-7.8), nonzero scalar-to-tensor ratio (lnB=-4.3), running of the spectral index (lnB=-4.7), curvature (lnB=-3.6), nonstandard numbers of neutrinos (lnB=-3.1), nonstandard neutrino masses (lnB=-3.2), nonstandard lensing potential (lnB=-4.6), evolving dark energy (lnB=-3.2), sterile neutrinos (lnB=-6.9), and extra sterile neutrinos with a nonzero scalar-to-tensor ratio (lnB=-10.8). Other models are less strongly disfavored with respect to flat ΛCDM. As with all analyses based on Bayesian evidence, the final numbers depend on the widths of the parameter priors. We adopt the priors used in the Planck analysis, while performing a prior sensitivity analysis. Our quantitative conclusion is that extensions beyond the standard cosmological model are disfavored by Planck data. Only when newer Hubble constant measurements are included does ΛCDM become disfavored, and only mildly, compared with a dynamical dark energy model (lnB∼+2).

No Evidence for Extensions to the Standard Cosmological Model

NASA Astrophysics Data System (ADS)

Heavens, Alan; Fantaye, Yabebal; Sellentin, Elena; Eggers, Hans; Hosenie, Zafiirah; Kroon, Steve; Mootoovaloo, Arrykrishna

2017-09-01

We compute the Bayesian evidence for models considered in the main analysis of Planck cosmic microwave background data. By utilizing carefully defined nearest-neighbor distances in parameter space, we reuse the Monte Carlo Markov chains already produced for parameter inference to compute Bayes factors B for many different model-data set combinations. The standard 6-parameter flat cold dark matter model with a cosmological constant (Λ CDM ) is favored over all other models considered, with curvature being mildly favored only when cosmic microwave background lensing is not included. Many alternative models are strongly disfavored by the data, including primordial correlated isocurvature models (ln B =-7.8 ), nonzero scalar-to-tensor ratio (ln B =-4.3 ), running of the spectral index (ln B =-4.7 ), curvature (ln B =-3.6 ), nonstandard numbers of neutrinos (ln B =-3.1 ), nonstandard neutrino masses (ln B =-3.2 ), nonstandard lensing potential (ln B =-4.6 ), evolving dark energy (ln B =-3.2 ), sterile neutrinos (ln B =-6.9 ), and extra sterile neutrinos with a nonzero scalar-to-tensor ratio (ln B =-10.8 ). Other models are less strongly disfavored with respect to flat Λ CDM . As with all analyses based on Bayesian evidence, the final numbers depend on the widths of the parameter priors. We adopt the priors used in the Planck analysis, while performing a prior sensitivity analysis. Our quantitative conclusion is that extensions beyond the standard cosmological model are disfavored by Planck data. Only when newer Hubble constant measurements are included does Λ CDM become disfavored, and only mildly, compared with a dynamical dark energy model (ln B ˜+2 ).

CALCULATING PHYSICAL PROPERTIES OF ORGANIC COMPOUNDS FOR ENVIRONMENTAL MODELING FROM MOLECULAR STRUCTURE

EPA Science Inventory

Mathematical models for predicting the transport and fate of pollutants in the environment require reactivity parameter values-- that is value of the physical and chemical constants that govern reactivity. Although empirical structure activity relationships have been developed t...

Validity of the two-level model for Viterbi decoder gap-cycle performance

NASA Technical Reports Server (NTRS)

Dolinar, S.; Arnold, S.

1990-01-01

A two-level model has previously been proposed for approximating the performance of a Viterbi decoder which encounters data received with periodically varying signal-to-noise ratio. Such cyclically gapped data is obtained from the Very Large Array (VLA), either operating as a stand-alone system or arrayed with Goldstone. This approximate model predicts that the decoder error rate will vary periodically between two discrete levels with the same period as the gap cycle. It further predicts that the length of the gapped portion of the decoder error cycle for a constraint length K decoder will be about K-1 bits shorter than the actual duration of the gap. The two-level model for Viterbi decoder performance with gapped data is subjected to detailed validation tests. Curves showing the cyclical behavior of the decoder error burst statistics are compared with the simple square-wave cycles predicted by the model. The validity of the model depends on a parameter often considered irrelevant in the analysis of Viterbi decoder performance, the overall scaling of the received signal or the decoder's branch-metrics. Three scaling alternatives are examined: optimum branch-metric scaling and constant branch-metric scaling combined with either constant noise-level scaling or constant signal-level scaling. The simulated decoder error cycle curves roughly verify the accuracy of the two-level model for both the case of optimum branch-metric scaling and the case of constant branch-metric scaling combined with constant noise-level scaling. However, the model is not accurate for the case of constant branch-metric scaling combined with constant signal-level scaling.

Constraints on running vacuum model with H(z) and f σ8

NASA Astrophysics Data System (ADS)

Geng, Chao-Qiang; Lee, Chung-Chi; Yin, Lu

2017-08-01

We examine the running vacuum model with Λ (H) = 3 ν H2 + Λ0, where ν is the model parameter and Λ0 is the cosmological constant. From the data of the cosmic microwave background radiation, weak lensing and baryon acoustic oscillation along with the time dependent Hubble parameter H(z) and weighted linear growth f (z)σ8(z) measurements, we find that ν=(1.37+0.72-0.95)× 10-4 with the best fitted χ2 value slightly smaller than that in the ΛCDM model.

Level density inputs in nuclear reaction codes and the role of the spin cutoff parameter

DOE PAGES

Voinov, A. V.; Grimes, S. M.; Brune, C. R.; ...

2014-09-03

Here, the proton spectrum from the 57Fe(α,p) reaction has been measured and analyzed with the Hauser-Feshbach model of nuclear reactions. Different input level density models have been tested. It was found that the best description is achieved with either Fermi-gas or constant temperature model functions obtained by fitting them to neutron resonance spacing and to discrete levels and using the spin cutoff parameter with much weaker excitation energy dependence than it is predicted by the Fermi-gas model.

Numerical modeling of the strain of elastic rubber elements

NASA Astrophysics Data System (ADS)

Moskvichev, E. N.; Porokhin, A. V.; Shcherbakov, I. V.

2017-11-01

A comparative analysis of the results of experimental investigation of mechanical behavior of the rubber sample during biaxial compression testing and numerical simulation results obtained by the finite element method was carried out to determine the correctness of the model applied in the engineering calculations of elastic structural elements made of the rubber. The governing equation represents the five-parameter Mooney-Rivlin model with the constants determined from experimental data. The investigation results showed that these constants reliably describe the mechanical behavior of the material under consideration. The divergence of experimental and numerical results does not exceed 15%.

Reliability of a k—out—of—n : G System with Identical Repairable Elements

NASA Astrophysics Data System (ADS)

Sharifi, M.; Nia, A. Torabi; Shafie, P.; Norozi-Zare, F.; Sabet-Ghadam, A.

2009-09-01

k—out—of—n models, are one of the most useful models to calculate the reliability of complex systems like electrical and mechanical devices. In this paper, we consider a k—out—of—n : G system with identical elements. The failure rate of each element is constant. The elements are repairable and the repair rate of each element is constant. The system works when at least k elements work. The system of equations are established and sought for the parameters like MTTF in real time situation. It seems that this model can tackle more realistic situations.

Modeling Surface Roughness to Estimate Surface Moisture Using Radarsat-2 Quad Polarimetric SAR Data

NASA Astrophysics Data System (ADS)

Nurtyawan, R.; Saepuloh, A.; Budiharto, A.; Wikantika, K.

2016-08-01

Microwave backscattering from the earth's surface depends on several parameters such as surface roughness and dielectric constant of surface materials. The two parameters related to water content and porosity are crucial for estimating soil moisture. The soil moisture is an important parameter for ecological study and also a factor to maintain energy balance of land surface and atmosphere. Direct roughness measurements to a large area require extra time and cost. Heterogeneity roughness scale for some applications such as hydrology, climate, and ecology is a problem which could lead to inaccuracies of modeling. In this study, we modeled surface roughness using Radasat-2 quad Polarimetric Synthetic Aperture Radar (PolSAR) data. The statistical approaches to field roughness measurements were used to generate an appropriate roughness model. This modeling uses a physical SAR approach to predicts radar backscattering coefficient in the parameter of radar configuration (wavelength, polarization, and incidence angle) and soil parameters (surface roughness and dielectric constant). Surface roughness value is calculated using a modified Campbell and Shepard model in 1996. The modification was applied by incorporating the backscattering coefficient (σ°) of quad polarization HH, HV and VV. To obtain empirical surface roughness model from SAR backscattering intensity, we used forty-five sample points from field roughness measurements. We selected paddy field in Indramayu district, West Java, Indonesia as the study area. This area was selected due to intensive decreasing of rice productivity in the Northern Coast region of West Java. Third degree polynomial is the most suitable data fitting with coefficient of determination R2 and RMSE are about 0.82 and 1.18 cm, respectively. Therefore, this model is used as basis to generate the map of surface roughness.

Comparing simple and complex approaches to simulate the impacts of soil water repellency on runoff and erosion in burnt Mediterranean forest slopes

NASA Astrophysics Data System (ADS)

Nunes, João Pedro; Catarina Simões Vieira, Diana; Keizer, Jan Jacob

2017-04-01

Fires impact soil hydrological properties, enhancing soil water repellency and therefore increasing the potential for surface runoff generation and soil erosion. In consequence, the successful application of hydrological models to post-fire conditions requires the appropriate simulation of the effects of soil water repellency on soil hydrology. This work compared three approaches to model soil water repellency impacts on soil hydrology in burnt eucalypt and pine forest slopes in central Portugal: 1) Daily approach, simulating repellency as a function of soil moisture, and influencing the maximum soil available water holding capacity. It is based on the Thornthwaite-Mather soil water modelling approach, and is parameterized with the soil's wilting point and field capacity, and a parameter relating soil water repellency with water holding capacity. It was tested with soil moisture data from burnt and unburnt hillslopes. This approach was able to simulate post-fire soil moisture patterns, which the model without repellency was unable to do. However, model parameters were different between the burnt and unburnt slopes, indicating that more research is needed to derive standardized parameters from commonly measured soil and vegetation properties. 2) Seasonal approach, pre-determining repellency at the seasonal scale (3 months) in four classes (from none to extreme). It is based on the Morgan-Morgan-Finney (MMF) runoff and erosion model, applied at the seasonal scale and is parameterized with a parameter relating repellency class with field capacity. It was tested with runoff and erosion data from several experimental plots, and led to important improvements on runoff prediction over an approach with constant field capacity for all seasons (calibrated for repellency effects), but only slight improvements in erosion predictions. In contrast with the daily approach, the parameters could be reproduced between different sites 3) Constant approach, specifying values for soil water repellency for the three years after the fire, and keeping them constant throughout the year. It is based on a daily Curve Number (CN) approach, and was incorporated directly in the Soil and Water Assessment Tool (SWAT) model and tested with erosion data from a burnt hillslope. This approach was able to successfully reproduce soil erosion. The results indicate that simplified approaches can be used to adapt existing models for post-fire simulation, taking repellency into account. Taking into account the seasonality of repellency seems more important to simulate surface runoff than erosion, possibly since simulating the larger runoff rates correctly is sufficient for erosion simulation. The constant approach can be applied directly in the parameterization of existing runoff and erosion models for soil loss and sediment yield prediction, while the seasonal approach can readily be developed as a next step, with further work being needed to assess if the approach and associated parameters can be applied in multiple post-fire environments.

Application of dielectric constant measurement in microwave sludge disintegration and wastewater purification processes.

PubMed

Kovács, Petra Veszelovszki; Lemmer, Balázs; Keszthelyi-Szabó, Gábor; Hodúr, Cecilia; Beszédes, Sándor

2018-05-01

It has been numerously verified that microwave radiation could be advantageous as a pre-treatment for enhanced disintegration of sludge. Very few data related to the dielectric parameters of wastewater of different origins are available; therefore, the objective of our work was to measure the dielectric constant of municipal and meat industrial wastewater during a continuous flow operating microwave process. Determination of the dielectric constant and its change during wastewater and sludge processing make it possible to decide on the applicability of dielectric measurements for detecting the organic matter removal efficiency of wastewater purification process or disintegration degree of sludge. With the measurement of dielectric constant as a function of temperature, total solids (TS) content and microwave specific process parameters regression models were developed. Our results verified that in the case of municipal wastewater sludge, the TS content has a significant effect on the dielectric constant and disintegration degree (DD), as does the temperature. The dielectric constant has a decreasing tendency with increasing temperature for wastewater sludge of low TS content, but an adverse effect was found for samples with high TS and organic matter contents. DD of meat processing wastewater sludge was influenced significantly by the volumetric flow rate and power level, as process parameters of continuously flow microwave pre-treatments. It can be concluded that the disintegration process of food industry sludge can be detected by dielectric constant measurements. From technical purposes the applicability of dielectric measurements was tested in the purification process of municipal wastewater, as well. Determination of dielectric behaviour was a sensitive method to detect the purification degree of municipal wastewater.

The value of mechanistic biophysical information for systems-level understanding of complex biological processes such as cytokinesis.

PubMed

Pollard, Thomas D

2014-12-02

This review illustrates the value of quantitative information including concentrations, kinetic constants and equilibrium constants in modeling and simulating complex biological processes. Although much has been learned about some biological systems without these parameter values, they greatly strengthen mechanistic accounts of dynamical systems. The analysis of muscle contraction is a classic example of the value of combining an inventory of the molecules, atomic structures of the molecules, kinetic constants for the reactions, reconstitutions with purified proteins and theoretical modeling to account for the contraction of whole muscles. A similar strategy is now being used to understand the mechanism of cytokinesis using fission yeast as a favorable model system. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Protein dielectric constants determined from NMR chemical shift perturbations.

PubMed

Kukic, Predrag; Farrell, Damien; McIntosh, Lawrence P; García-Moreno E, Bertrand; Jensen, Kristine Steen; Toleikis, Zigmantas; Teilum, Kaare; Nielsen, Jens Erik

2013-11-13

Understanding the connection between protein structure and function requires a quantitative understanding of electrostatic effects. Structure-based electrostatic calculations are essential for this purpose, but their use has been limited by a long-standing discussion on which value to use for the dielectric constants (ε(eff) and ε(p)) required in Coulombic and Poisson-Boltzmann models. The currently used values for ε(eff) and ε(p) are essentially empirical parameters calibrated against thermodynamic properties that are indirect measurements of protein electric fields. We determine optimal values for ε(eff) and ε(p) by measuring protein electric fields in solution using direct detection of NMR chemical shift perturbations (CSPs). We measured CSPs in 14 proteins to get a broad and general characterization of electric fields. Coulomb's law reproduces the measured CSPs optimally with a protein dielectric constant (ε(eff)) from 3 to 13, with an optimal value across all proteins of 6.5. However, when the water-protein interface is treated with finite difference Poisson-Boltzmann calculations, the optimal protein dielectric constant (ε(p)) ranged from 2 to 5 with an optimum of 3. It is striking how similar this value is to the dielectric constant of 2-4 measured for protein powders and how different it is from the ε(p) of 6-20 used in models based on the Poisson-Boltzmann equation when calculating thermodynamic parameters. Because the value of ε(p) = 3 is obtained by analysis of NMR chemical shift perturbations instead of thermodynamic parameters such as pK(a) values, it is likely to describe only the electric field and thus represent a more general, intrinsic, and transferable ε(p) common to most folded proteins.

SU-F-T-344: Commissioning Constant Dose Rate VMAT in the Raystation Treatment Planning System for a Varian Clinac IX

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

Pursley, J; Gueorguiev, G; Prichard, H

Purpose: To demonstrate the commissioning of constant dose rate volumetric modulated arc therapy (VMAT) in the Raystation treatment planning system for a Varian Clinac iX with Exact couch. Methods: Constant dose rate (CDR) VMAT is an option in the Raystation treatment planning system, enabling VMAT delivery on Varian linacs without a RapidArc upgrade. Raystation 4.7 was used to commission CDR-VMAT for a Varian Clinac iX. Raystation arc model parameters were selected to match machine deliverability characteristics. A Varian Exact couch model was added to Raystation 4.7 and commissioned for use in VMAT optimization. CDR-VMAT commissioning checks were performed on themore » linac, including patient-specific QA measurements for 10 test patients using both the ArcCHECK from Sun Nuclear Corporation and COMPASS from IBA Dosimetry. Multi-criteria optimization (MCO) in Raystation was used for CDR-VMAT planning. Results: Raystation 4.7 generated clinically acceptable and deliverable CDR-VMAT plans for the Varian Clinac. VMAT plans were optimized including a model of the Exact couch with both rails in the out positions. CDR-VMAT plans generated with MCO in Raystation were dosimetrically comparable to Raystation MCO-generated IMRT plans. Patient-specific QA measurements with the ArcCHECK on the couch showed good agreement with the treatment planning system prediction. Patient-specific, structure-specific, multi-statistical parameter 3D QA measurements with gantry-mounted COMPASS also showed good agreement. Conclusion: Constant dose rate VMAT was successfully modeled in Raystation 4.7 for a Varian Clinac iX, and Raystation’s multicriteria optimization generated constant dose rate VMAT plans which were deliverable and dosimetrically comparable to IMRT plans.« less

Energy Expenditure of Trotting Gait Under Different Gait Parameters

NASA Astrophysics Data System (ADS)

Chen, Xian-Bao; Gao, Feng

2017-07-01

Robots driven by batteries are clean, quiet, and can work indoors or in space. However, the battery endurance is a great problem. A new gait parameter design energy saving strategy to extend the working hours of the quadruped robot is proposed. A dynamic model of the robot is established to estimate and analyze the energy expenditures during trotting. Given a trotting speed, optimal stride frequency and stride length can minimize the energy expenditure. However, the relationship between the speed and the optimal gait parameters is nonlinear, which is difficult for practical application. Therefore, a simplified gait parameter design method for energy saving is proposed. A critical trotting speed of the quadruped robot is found and can be used to decide the gait parameters. When the robot is travelling lower than this speed, it is better to keep a constant stride length and change the cycle period. When the robot is travelling higher than this speed, it is better to keep a constant cycle period and change the stride length. Simulations and experiments on the quadruped robot show that by using the proposed gait parameter design approach, the energy expenditure can be reduced by about 54% compared with the 100 mm stride length under 500 mm/s speed. In general, an energy expenditure model based on the gait parameter of the quadruped robot is built and the trotting gait parameters design approach for energy saving is proposed.

Ion Yields in the Coupled Chemical and Physical Dynamics Model of Matrix-Assisted Laser Desorption/Ionization

NASA Astrophysics Data System (ADS)

Knochenmuss, Richard

2015-08-01

The Coupled Chemical and Physical Dynamics (CPCD) model of matrix assisted laser desorption ionization has been restricted to relative rather than absolute yield comparisons because the rate constant for one step in the model was not accurately known. Recent measurements are used to constrain this constant, leading to good agreement with experimental yield versus fluence data for 2,5-dihydroxybenzoic acid. Parameters for alpha-cyano-4-hydroxycinnamic acid are also estimated, including contributions from a possible triplet state. The results are compared with the polar fluid model, the CPCD is found to give better agreement with the data.

Testing models of thorium and particle cycling in the ocean using data from station GT11-22 of the U.S. GEOTRACES North Atlantic section

NASA Astrophysics Data System (ADS)

Lerner, Paul; Marchal, Olivier; Lam, Phoebe J.; Anderson, Robert F.; Buesseler, Ken; Charette, Matthew A.; Edwards, R. Lawrence; Hayes, Christopher T.; Huang, Kuo-Fang; Lu, Yanbin; Robinson, Laura F.; Solow, Andrew

2016-07-01

Thorium is a highly particle-reactive element that possesses different measurable radio-isotopes in seawater, with well-constrained production rates and very distinct half-lives. As a result, Th has emerged as a key tracer for the cycling of marine particles and of their chemical constituents, including particulate organic carbon. Here two different versions of a model of Th and particle cycling in the ocean are tested using an unprecedented data set from station GT11-22 of the U.S. GEOTRACES North Atlantic Section: (i) 228,230,234Th activities of dissolved and particulate fractions, (ii) 228Ra activities, (iii) 234,238U activities estimated from salinity data and an assumed 234U/238U ratio, and (iv) particle concentrations, below a depth of 125 m. The two model versions assume a single class of particles but rely on different assumptions about the rate parameters for sorption reactions and particle processes: a first version (V1) assumes vertically uniform parameters (a popular description), whereas the second (V2) does not. Both versions are tested by fitting to the GT11-22 data using generalized nonlinear least squares and by analyzing residuals normalized to the data errors. We find that model V2 displays a significantly better fit to the data than model V1. Thus, the mere allowance of vertical variations in the rate parameters can lead to a significantly better fit to the data, without the need to modify the structure or add any new processes to the model. To understand how the better fit is achieved we consider two parameters, K =k1 /(k-1 +β-1) and K/P, where k1 is the adsorption rate constant, k-1 the desorption rate constant, β-1 the remineralization rate constant, and P the particle concentration. We find that the rate constant ratio K is large (⩾ 0.2) in the upper 1000 m and decreases to a nearly uniform value of ca. 0.12 below 2000 m, implying that the specific rate at which Th attaches to particles relative to that at which it is released from particles is higher in the upper ocean than in the deep ocean. In contrast, K/P increases with depth below 500 m. The parameters K and K/P display significant positive and negative monotonic relationship with P, respectively, which is collectively consistent with a particle concentration effect.

Simple cosmological model with inflation and late times acceleration

NASA Astrophysics Data System (ADS)

Szydłowski, Marek; Stachowski, Aleksander

2018-03-01

In the framework of polynomial Palatini cosmology, we investigate a simple cosmological homogeneous and isotropic model with matter in the Einstein frame. We show that in this model during cosmic evolution, early inflation appears and the accelerating phase of the expansion for the late times. In this frame we obtain the Friedmann equation with matter and dark energy in the form of a scalar field with a potential whose form is determined in a covariant way by the Ricci scalar of the FRW metric. The energy density of matter and dark energy are also parameterized through the Ricci scalar. Early inflation is obtained only for an infinitesimally small fraction of energy density of matter. Between the matter and dark energy, there exists an interaction because the dark energy is decaying. For the characterization of inflation we calculate the slow roll parameters and the constant roll parameter in terms of the Ricci scalar. We have found a characteristic behavior of the time dependence of density of dark energy on the cosmic time following the logistic-like curve which interpolates two almost constant value phases. From the required numbers of N-folds we have found a bound on the model parameter.

Anisotropic Effects on Constitutive Model Parameters of Aluminum Alloys

NASA Astrophysics Data System (ADS)

Brar, Nachhatter; Joshi, Vasant

2011-06-01

Simulation of low velocity impact on structures or high velocity penetration in armor materials heavily rely on constitutive material models. The model constants are required input to computer codes (LS-DYNA, DYNA3D or SPH) to accurately simulate fragment impact on structural components made of high strength 7075-T651 aluminum alloys. Johnson-Cook model constants determined for Al7075-T651 alloy bar material failed to simulate correctly the penetration into 1' thick Al-7075-T651plates. When simulations go well beyond minor parameter tweaking and experimental results are drastically different it is important to determine constitutive parameters from the actual material used in impact/penetration experiments. To investigate anisotropic effects on the yield/flow stress of this alloy we performed quasi-static and high strain rate tensile tests on specimens fabricated in the longitudinal, transverse, and thickness directions of 1' thick Al7075-T651 plate. Flow stresses at a strain rate of ~1100/s in the longitudinal and transverse direction are similar around 670MPa and decreases to 620 MPa in the thickness direction. These data are lower than the flow stress of 760 MPa measured in Al7075-T651 bar stock.

Semi-empirical proton binding constants for natural organic matter

NASA Astrophysics Data System (ADS)

Matynia, Anthony; Lenoir, Thomas; Causse, Benjamin; Spadini, Lorenzo; Jacquet, Thierry; Manceau, Alain

2010-03-01

Average proton binding constants ( KH,i) for structure models of humic (HA) and fulvic (FA) acids were estimated semi-empirically by breaking down the macromolecules into reactive structural units (RSUs), and calculating KH,i values of the RSUs using linear free energy relationships (LFER) of Hammett. Predicted log KH,COOH and log KH,Ph-OH are 3.73 ± 0.13 and 9.83 ± 0.23 for HA, and 3.80 ± 0.20 and 9.87 ± 0.31 for FA. The predicted constants for phenolic-type sites (Ph-OH) are generally higher than those derived from potentiometric titrations, but the difference may not be significant in view of the considerable uncertainty of the acidity constants determined from acid-base measurements at high pH. The predicted constants for carboxylic-type sites agree well with titration data analyzed with Model VI (4.10 ± 0.16 for HA, 3.20 ± 0.13 for FA; Tipping, 1998), the Impermeable Sphere model (3.50-4.50 for HA; Avena et al., 1999), and the Stockholm Humic Model (4.10 ± 0.20 for HA, 3.50 ± 0.40 for FA; Gustafsson, 2001), but differ by about one log unit from those obtained by Milne et al. (2001) with the NICA-Donnan model (3.09 ± 0.51 for HA, 2.65 ± 0.43 for FA), and used to derive recommended generic values. To clarify this ambiguity, 10 high-quality titration data from Milne et al. (2001) were re-analyzed with the new predicted equilibrium constants. The data are described equally well with the previous and new sets of values ( R2 ⩾ 0.98), not necessarily because the NICA-Donnan model is overparametrized, but because titration lacks the sensitivity needed to quantify the full binding properties of humic substances. Correlations between NICA-Donnan parameters are discussed, but general progress is impeded by the unknown number of independent parameters that can be varied during regression of a model fit to titration data. The high consistency between predicted and experimental KH,COOH values, excluding those of Milne et al. (2001), gives faith in the proposed semi-empirical structural approach, and its usefulness to assess the plausibility of proton stability constants derived from simulations of titration data.

Modelling audiovisual integration of affect from videos and music.

PubMed

Gao, Chuanji; Wedell, Douglas H; Kim, Jongwan; Weber, Christine E; Shinkareva, Svetlana V

2018-05-01

Two experiments examined how affective values from visual and auditory modalities are integrated. Experiment 1 paired music and videos drawn from three levels of valence while holding arousal constant. Experiment 2 included a parallel combination of three levels of arousal while holding valence constant. In each experiment, participants rated their affective states after unimodal and multimodal presentations. Experiment 1 revealed a congruency effect in which stimulus combinations of the same extreme valence resulted in more extreme state ratings than component stimuli presented in isolation. An interaction between music and video valence reflected the greater influence of negative affect. Video valence was found to have a significantly greater effect on combined ratings than music valence. The pattern of data was explained by a five parameter differential weight averaging model that attributed greater weight to the visual modality and increased weight with decreasing values of valence. Experiment 2 revealed a congruency effect only for high arousal combinations and no interaction effects. This pattern was explained by a three parameter constant weight averaging model with greater weight for the auditory modality and a very low arousal value for the initial state. These results demonstrate key differences in audiovisual integration between valence and arousal.

Photophysical behavior of polyatomic molecules

NASA Astrophysics Data System (ADS)

Ware, W. R.

1980-10-01

Part one of this report deals with attempts over the past several years to devise a more sophisticated theory of diffusion controlled reactions than that presented by Collins and Kimball. In particular, the investigators were interested in a more realistic formulation of the problem of high concentration quenching where quenches in the vicinity of the molecular to be quenched must be considered. It was desired however, to obtain a formalism which was tractable mathematically and which contained parameters which would be related to experiment. Part two deals with the photophysics of systems exhibiting molecular association both in the ground and excited states has been studied. The emphasis has been on kinetic models, the measurement of rate constants associated with these models, and the determination of activation parameters and equilibrium thermodynamic parameters associated with the exciplex formation and disappearance. Studies of solvent effects and steric effects on the behavior of exciplex systems have been carried out. The case of rapid equilibrium where the monomer and exciplex decay with the same rate constant has also been examined.

A three-dimensional cohesive sediment transport model with data assimilation: Model development, sensitivity analysis and parameter estimation

NASA Astrophysics Data System (ADS)

Wang, Daosheng; Cao, Anzhou; Zhang, Jicai; Fan, Daidu; Liu, Yongzhi; Zhang, Yue

2018-06-01

Based on the theory of inverse problems, a three-dimensional sigma-coordinate cohesive sediment transport model with the adjoint data assimilation is developed. In this model, the physical processes of cohesive sediment transport, including deposition, erosion and advection-diffusion, are parameterized by corresponding model parameters. These parameters are usually poorly known and have traditionally been assigned empirically. By assimilating observations into the model, the model parameters can be estimated using the adjoint method; meanwhile, the data misfit between model results and observations can be decreased. The model developed in this work contains numerous parameters; therefore, it is necessary to investigate the parameter sensitivity of the model, which is assessed by calculating a relative sensitivity function and the gradient of the cost function with respect to each parameter. The results of parameter sensitivity analysis indicate that the model is sensitive to the initial conditions, inflow open boundary conditions, suspended sediment settling velocity and resuspension rate, while the model is insensitive to horizontal and vertical diffusivity coefficients. A detailed explanation of the pattern of sensitivity analysis is also given. In ideal twin experiments, constant parameters are estimated by assimilating 'pseudo' observations. The results show that the sensitive parameters are estimated more easily than the insensitive parameters. The conclusions of this work can provide guidance for the practical applications of this model to simulate sediment transport in the study area.

Constant-roll (quasi-)linear inflation

NASA Astrophysics Data System (ADS)

Karam, A.; Marzola, L.; Pappas, T.; Racioppi, A.; Tamvakis, K.

2018-05-01

In constant-roll inflation, the scalar field that drives the accelerated expansion of the Universe is rolling down its potential at a constant rate. Within this framework, we highlight the relations between the Hubble slow-roll parameters and the potential ones, studying in detail the case of a single-field Coleman-Weinberg model characterised by a non-minimal coupling of the inflaton to gravity. With respect to the exact constant-roll predictions, we find that assuming an approximate slow-roll behaviour yields a difference of Δ r = 0.001 in the tensor-to-scalar ratio prediction. Such a discrepancy is in principle testable by future satellite missions. As for the scalar spectral index ns, we find that the existing 2-σ bound constrains the value of the non-minimal coupling to ξphi ~ 0.29–0.31 in the model under consideration.

Exact closed-form solutions of a fully nonlinear asymptotic two-fluid model

NASA Astrophysics Data System (ADS)

Cheviakov, Alexei F.

2018-05-01

A fully nonlinear model of Choi and Camassa (1999) describing one-dimensional incompressible dynamics of two non-mixing fluids in a horizontal channel, under a shallow water approximation, is considered. An equivalence transformation is presented, leading to a special dimensionless form of the system, involving a single dimensionless constant physical parameter, as opposed to five parameters present in the original model. A first-order dimensionless ordinary differential equation describing traveling wave solutions is analyzed. Several multi-parameter families of physically meaningful exact closed-form solutions of the two-fluid model are derived, corresponding to periodic, solitary, and kink-type bidirectional traveling waves; specific examples are given, and properties of the exact solutions are analyzed.

Observational constraints on generalized Proca theories

NASA Astrophysics Data System (ADS)

De Felice, Antonio; Heisenberg, Lavinia; Tsujikawa, Shinji

2017-06-01

In a model of the late-time cosmic acceleration within the framework of generalized Proca theories, there exists a de Sitter attractor preceded by the dark energy equation of state wDE=-1 -s , where s is a positive constant. We run the Markov-chain-Monte Carlo code to confront the model with the observational data of the cosmic microwave background (CMB), baryon acoustic oscillations, supernovae type Ia, and local measurements of the Hubble expansion rate for the background cosmological solutions and obtain the bound s =0.254-0.097+0.118 at 95% confidence level (C.L.). Existence of the additional parameter s to those in the Λ -cold-dark-matter (Λ CDM ) model allows to reduce tensions of the Hubble constant H0 between the CMB and the low-redshift measurements. Including the cosmic growth data of redshift-space distortions in the galaxy power spectrum and taking into account no-ghost and stability conditions of cosmological perturbations, we find that the bound on s is shifted to s =0.1 6-0.08+0.08 (95% C.L.) and hence the model with s >0 is still favored over the Λ CDM model. Apart from the quantities s ,H0 and the today's matter density parameter Ωm 0, the constraints on other model parameters associated with perturbations are less stringent, reflecting the fact that there are different sets of parameters that give rise to a similar cosmic expansion and growth history.

Flow adjustment inside homogeneous canopies after a leading edge – An analytical approach backed by LES

DOE PAGES

Kroniger, Konstantin; Banerjee, Tirtha; De Roo, Frederik; ...

2017-10-06

A two-dimensional analytical model for describing the mean flow behavior inside a vegetation canopy after a leading edge in neutral conditions was developed and tested by means of large eddy simulations (LES) employing the LES code PALM. The analytical model is developed for the region directly after the canopy edge, the adjustment region, where one-dimensional canopy models fail due to the sharp change in roughness. The derivation of this adjustment region model is based on an analytic solution of the two-dimensional Reynolds averaged Navier–Stokes equation in neutral conditions for a canopy with constant plant area density (PAD). The main assumptionsmore » for solving the governing equations are separability of the velocity components concerning the spatial variables and the neglection of the Reynolds stress gradients. These two assumptions are verified by means of LES. To determine the emerging model parameters, a simultaneous fitting scheme was applied to the velocity and pressure data of a reference LES simulation. Furthermore a sensitivity analysis of the adjustment region model, equipped with the previously calculated parameters, was performed varying the three relevant length, the canopy height ( h), the canopy length and the adjustment length ( Lc), in additional LES. Even if the model parameters are, in general, functions of h/ Lc, it was found out that the model is capable of predicting the flow quantities in various cases, when using constant parameters. Subsequently the adjustment region model is combined with the one-dimensional model of Massman, which is applicable for the interior of the canopy, to attain an analytical model capable of describing the mean flow for the full canopy domain. As a result, the model is tested against an analytical model based on a linearization approach.« less

Flow adjustment inside homogeneous canopies after a leading edge – An analytical approach backed by LES

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

Kroniger, Konstantin; Banerjee, Tirtha; De Roo, Frederik

A two-dimensional analytical model for describing the mean flow behavior inside a vegetation canopy after a leading edge in neutral conditions was developed and tested by means of large eddy simulations (LES) employing the LES code PALM. The analytical model is developed for the region directly after the canopy edge, the adjustment region, where one-dimensional canopy models fail due to the sharp change in roughness. The derivation of this adjustment region model is based on an analytic solution of the two-dimensional Reynolds averaged Navier–Stokes equation in neutral conditions for a canopy with constant plant area density (PAD). The main assumptionsmore » for solving the governing equations are separability of the velocity components concerning the spatial variables and the neglection of the Reynolds stress gradients. These two assumptions are verified by means of LES. To determine the emerging model parameters, a simultaneous fitting scheme was applied to the velocity and pressure data of a reference LES simulation. Furthermore a sensitivity analysis of the adjustment region model, equipped with the previously calculated parameters, was performed varying the three relevant length, the canopy height ( h), the canopy length and the adjustment length ( Lc), in additional LES. Even if the model parameters are, in general, functions of h/ Lc, it was found out that the model is capable of predicting the flow quantities in various cases, when using constant parameters. Subsequently the adjustment region model is combined with the one-dimensional model of Massman, which is applicable for the interior of the canopy, to attain an analytical model capable of describing the mean flow for the full canopy domain. As a result, the model is tested against an analytical model based on a linearization approach.« less

Modeling of the thermal physical process and study on the reliability of linear energy density for selective laser melting

NASA Astrophysics Data System (ADS)

Xiang, Zhaowei; Yin, Ming; Dong, Guanhua; Mei, Xiaoqin; Yin, Guofu

2018-06-01

A finite element model considering volume shrinkage with powder-to-dense process of powder layer in selective laser melting (SLM) is established. Comparison between models that consider and do not consider volume shrinkage or powder-to-dense process is carried out. Further, parametric analysis of laser power and scan speed is conducted and the reliability of linear energy density as a design parameter is investigated. The results show that the established model is an effective method and has better accuracy allowing for the temperature distribution, and the length and depth of molten pool. The maximum temperature is more sensitive to laser power than scan speed. The maximum heating rate and cooling rate increase with increasing scan speed at constant laser power and increase with increasing laser power at constant scan speed as well. The simulation results and experimental result reveal that linear energy density is not always reliable using as a design parameter in the SLM.

Measurement and Modeling of Setschenow Constants for Selected Hydrophilic Compounds in NaCl and CaCl2 Simulated Carbon Storage Brines.

PubMed

Burant, Aniela; Lowry, Gregory V; Karamalidis, Athanasios K

2017-06-20

Carbon capture, utilization, and storage (CCUS), a climate change mitigation strategy, along with unconventional oil and gas extraction, generates enormous volumes of produced water containing high salt concentrations and a litany of organic compounds. Understanding the aqueous solubility of organic compounds related to these operations is important for water treatment and reuse alternatives, as well as risk assessment purposes. The well-established Setschenow equation can be used to determine the effect of salts on aqueous solubility. However, there is a lack of reported Setschenow constants, especially for polar organic compounds. In this study, the Setschenow constants for selected hydrophilic organic compounds were experimentally determined, and linear free energy models for predicting the Setschenow constant of organic chemicals in concentrated brines were developed. Solid phase microextraction was employed to measure the salting-out behavior of six selected hydrophilic compounds up to 5 M NaCl and 2 M CaCl 2 and in Na-Ca-Cl brines. All compounds, which include phenol, p-cresol, hydroquinone, pyrrole, hexanoic acid, and 9-hydroxyfluorene, exhibited log-linear behavior up to these concentrations, meaning Setschenow constants previously measured at low salt concentrations can be extrapolated up to high salt concentrations for hydrophilic compounds. Setschenow constants measured in NaCl and CaCl 2 brines are additive for the compounds measured here; meaning Setschenow constants measured in single salt solutions can be used in multiple salt solutions. The hydrophilic compounds in this study were selected to elucidate differences in salting-out behavior based on their chemical structure. Using data from this study, as well as literature data, linear free energy relationships (LFERs) for prediction of NaCl, CaCl 2 , LiCl, and NaBr Setschenow constants were developed and validated. Two LFERs were improved. One LFER uses the Abraham solvation parameters, which include the index of refraction of the organic compound, organic compound's polarizability, hydrogen bonding acidity and basicity of the organic compound, and the molar volume of the compound. The other uses an octanol-water partitioning coefficient to predict NaCl Setschenow constants. Improved models from this study now include organic compounds that are structurally and chemically more diverse than the previous models. The CaCl 2 , LiCl, and NaBr single parameter LFERs use concepts from the Hofmeister series to predict new, respective Setschenow constants from NaCl Setschenow constants. The Setschenow constants determined here, as well as the LFERs developed, can be incorporated into CCUS reactive transport models to predict aqueous solubility and partitioning coefficients of organic compounds. This work also has implications for beneficial reuse of water from CCUS; this can aide in determining treatment technologies for produced waters.

A simplified method for determining reactive rate parameters for reaction ignition and growth in explosives

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

Miller, P.J.

1996-07-01

A simplified method for determining the reactive rate parameters for the ignition and growth model is presented. This simplified ignition and growth (SIG) method consists of only two adjustable parameters, the ignition (I) and growth (G) rate constants. The parameters are determined by iterating these variables in DYNA2D hydrocode simulations of the failure diameter and the gap test sensitivity until the experimental values are reproduced. Examples of four widely different explosives were evaluated using the SIG model. The observed embedded gauge stress-time profiles for these explosives are compared to those calculated by the SIG equation and the results are described.

Warm inflationary model in loop quantum cosmology

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

Herrera, Ramon

A warm inflationary universe model in loop quantum cosmology is studied. In general we discuss the condition of inflation in this framework. By using a chaotic potential, V({phi}){proportional_to}{phi}{sup 2}, we develop a model where the dissipation coefficient {Gamma}={Gamma}{sub 0}=constant. We use recent astronomical observations for constraining the parameters appearing in our model.

Heating Parameter Estimation Using Coaxial Thermocouple Gages in Wind Tunnel Test Articles.

DTIC Science & Technology

1984-12-01

Attack a Emissivity G Parameter Vector Pn Measurement Vector at nth Time Point p Density 0 Stefan-Boltzmann Constant 6 Transition Matrix APc Scaling...for. The radiation is modeled using the Stefan-Boltzmann Law, q = 60(U 4 - U, 4 ) (A-9) where 8 radiative emissivity a Stefan-Bol tzmann constant U...w00 I- 000 0 0111c :0 i zZ Z-4lwr I- E . - t J K - IL HHO "W 6i 0WZWZWO&000OW *0 . 0 - .- - -4 4 1"- 1 Lii w LiiU Li LI Li Lij Liw w ~ o 0 0wm ~wW6~w d

Evaluation method for corrosion level of rebar in RC with electrical impedance measurement

NASA Astrophysics Data System (ADS)

Sasamoto, Akira

2018-04-01

The author reported that the impedance measurement using the 4-terminal method on the RC surface for diagnosing corrosion of internal rebar. The difference between the maximum value at 0.01 Hz and the minimum value around 10 Hz indicates the corrosion level of rebar in that report. This is successive report on a signal processing method for estimating the corrosion level by the measured impedance data to obtain more high accuracy. In the dielectric, a graph of frequency and dielectric constant (Cole-Cole plot diagram by KS Cole and RH Cole article of 1941) draws a shape of circle if the dielectric is independent of frequency but it draws a shape of ellipse in reality due to frequency dependency. Havriliak and Negami have also presented Havriliak-Negami model which introduced parameter into dielectric constant equation which deforms Cole-Cole plot diagram and showed that acquired dielectric data of polymer materials fit to this model with proper parameters. In this report, we first consider electric model connected with resistance and capacitance as a rough model of RC concrete. If the capacitance in this model circuit has some loss of dielectric, it is stated that graph in impedance plot is expected to take as similar deformation in the dielectric Cole-Cole plot. Then a numerical optimization computer code for obtaining parameters in the Cole-Cole plot diagram and Havriliak-Negami model is constructed, and the correlation between the deformation parameter of each model and corrosion is shown by this code. These results are feasibility study for diagnosis of corrosion level of rebar by associated parameters to a shape of impedance graph.

Economic design of control charts considering process shift distributions

NASA Astrophysics Data System (ADS)

Vommi, Vijayababu; Kasarapu, Rukmini V.

2014-09-01

Process shift is an important input parameter in the economic design of control charts. Earlier control chart designs considered constant shifts to occur in the mean of the process for a given assignable cause. This assumption has been criticized by many researchers since it may not be realistic to produce a constant shift whenever an assignable cause occurs. To overcome this difficulty, in the present work, a distribution for the shift parameter has been considered instead of a single value for a given assignable cause. Duncan's economic design model for chart has been extended to incorporate the distribution for the process shift parameter. It is proposed to minimize total expected loss-cost to obtain the control chart parameters. Further, three types of process shifts namely, positively skewed, uniform and negatively skewed distributions are considered and the situations where it is appropriate to use the suggested methodology are recommended.

The effects of rigid motions on elastic network model force constants.

PubMed

Lezon, Timothy R

2012-04-01

Elastic network models provide an efficient way to quickly calculate protein global dynamics from experimentally determined structures. The model's single parameter, its force constant, determines the physical extent of equilibrium fluctuations. The values of force constants can be calculated by fitting to experimental data, but the results depend on the type of experimental data used. Here, we investigate the differences between calculated values of force constants and data from NMR and X-ray structures. We find that X-ray B factors carry the signature of rigid-body motions, to the extent that B factors can be almost entirely accounted for by rigid motions alone. When fitting to more refined anisotropic temperature factors, the contributions of rigid motions are significantly reduced, indicating that the large contribution of rigid motions to B factors is a result of over-fitting. No correlation is found between force constants fit to NMR data and those fit to X-ray data, possibly due to the inability of NMR data to accurately capture protein dynamics. Copyright © 2011 Wiley Periodicals, Inc.

Thermophysical properties of liquid rare earth metals

NASA Astrophysics Data System (ADS)

Thakor, P. B.; Sonvane, Y. A.; Patel, H. P.; Jani, A. R.

2013-06-01

The thermodynamical properties like long wavelength limit S(0), iso-thermal compressibility (χT), thermal expansion coefficient (αV), thermal pressure coefficient (γV), specific heat at constant volume (CV) and specific heat at constant pressure (CP) are calculated for liquid rare earth metals. Our newly constructed parameter free model potential is used to describe the electron ion interaction due to Sarkar et al (S) local field correction function. Lastly, we conclude that our newly constructed model potential is capable to explain the thermophysical properties of liquid rare earth metals.

MODELING OF METAL BINDING ON HUMIC SUBSTANCES USING THE NIST DATABASE: AN A PRIORI FUNCTIONAL GROUP APPROACH

EPA Science Inventory

Various modeling approaches have been developed for metal binding on humic substances. However, most of these models are still curve-fitting exercises-- the resulting set of parameters such as affinity constants (or the distribution of them) is found to depend on pH, ionic stren...

Application of a whole-body pharmacokinetic model for targeted radionuclide therapy to NM404 and FLT

NASA Astrophysics Data System (ADS)

Grudzinski, Joseph J.; Floberg, John M.; Mudd, Sarah R.; Jeffery, Justin J.; Peterson, Eric T.; Nomura, Alice; Burnette, Ronald R.; Tomé, Wolfgang A.; Weichert, Jamey P.; Jeraj, Robert

2012-03-01

We have previously developed a model that provides relative dosimetry estimates for targeted radionuclide therapy (TRT) agents. The whole-body and tumor pharmacokinetic (PK) parameters of this model can be noninvasively measured with molecular imaging, providing a means of comparing potential TRT agents. Parameter sensitivities and noise will affect the accuracy and precision of the estimated PK values and hence dosimetry estimates. The aim of this work is to apply a PK model for TRT to two agents with different magnitudes of clearance rates, NM404 and FLT, explore parameter sensitivity with respect to time and investigate the effect of noise on parameter precision and accuracy. Twenty-three tumor bearing mice were injected with a ‘slow-clearing’ agent, 124I-NM404 (n = 10), or a ‘fast-clearing’ agent, 18F-FLT (3‧-deoxy-3‧-fluorothymidine) (n = 13) and imaged via micro-PET/CT pseudo-dynamically or dynamically, respectively. Regions of interest were drawn within the heart and tumor to create time-concentration curves for blood pool and tumor. PK analysis was performed to estimate the mean and standard error of the central compartment efflux-to-influx ratio (k12/k21), central elimination rate constant (kel), and tumor influx-to-efflux ratio (k34/k43), as well as the mean and standard deviation of the dosimetry estimates. NM404 and FLT parameter estimation results were used to analyze model accuracy and parameter sensitivity. The accuracy of the experimental sampling schedule was compared to that of an optimal sampling schedule found using Cramer-Rao lower bounds theory. Accuracy was assessed using correlation coefficient, bias and standard error of the estimate normalized to the mean (SEE/mean). The PK parameter estimation of NM404 yielded a central clearance, kel (0.009 ± 0.003 h-1), normal body retention, k12/k21 (0.69 ± 0.16), tumor retention, k34/k43 (1.44 ± 0.46) and predicted dosimetry, Dtumor (3.47 ± 1.24 Gy). The PK parameter estimation of FLT yielded a central elimination rate constant, kel (0.050 ± 0.025 min-1), normal body retention, k12/k21 (2.21 ± 0.62) and tumor retention, k34/k43 (0.65 ± 0.17), and predicted dosimetry, Dtumor (0.61 ± 0.20 Gy). Compared to experimental sampling, optimal sampling decreases the dosimetry bias and SEE/mean for NM404; however, it increases bias and decreases SEE/mean for FLT. For both NM404 and FLT, central compartment efflux rate constant, k12, and central compartment influx rate constant, k21, possess mirroring sensitivities at relatively early time points. The instantaneous concentration in the blood, C0, was most sensitive at early time points; central elimination, kel, and tumor efflux, k43, are most sensitive at later time points. A PK model for TRT was applied to both a slow-clearing, NM404, and a fast-clearing, FLT, agents in a xenograft murine model. NM404 possesses more favorable PK values according to the PK TRT model. The precise and accurate measurement of k12, k21, kel, k34 and k43 will translate into improved and precise dosimetry estimations. This work will guide the future use of this PK model for assessing the relative effectiveness of potential TRT agents.

Comparing the IRT Pre-equating and Section Pre-equating: A Simulation Study.

ERIC Educational Resources Information Center

Hwang, Chi-en; Cleary, T. Anne

The results obtained from two basic types of pre-equatings of tests were compared: the item response theory (IRT) pre-equating and section pre-equating (SPE). The simulated data were generated from a modified three-parameter logistic model with a constant guessing parameter. Responses of two replication samples of 3000 examinees on two 72-item…

Resurrecting the Power-law, Intermediate, and Logamediate Inflations in the DBI Scenario with Constant Sound Speed

NASA Astrophysics Data System (ADS)

Amani, Roonak; Rezazadeh, Kazem; Abdolmaleki, Asrin; Karami, Kayoomars

2018-02-01

We investigate the power-law, intermediate, and logamediate inflationary models in the framework of DBI non-canonical scalar field with constant sound speed. In the DBI setting, we first represent the power spectrum of both scalar density and tensor gravitational perturbations. Then, we derive different inflationary observables including the scalar spectral index n s , the running of the scalar spectral index {{dn}}s/d{ln}k, and the tensor-to-scalar ratio r. We show that the 95% CL constraint of the Planck 2015 T + E data on the non-Gaussianity parameter {f}{NL}{DBI} leads to the sound speed bound {c}s≥slant 0.087 in the DBI inflation. Moreover, our results imply that, although the predictions of the power-law, intermediate, and logamediate inflations in the standard canonical framework (c s = 1) are not consistent with the Planck 2015 data, in the DBI scenario with constant sound speed {c}s< 1, the result of the r-{n}s diagram for these models can lie inside the 68% CL region favored by Planck 2015 TT,TE,EE+lowP data. We also specify the parameter space of the power-law, intermediate, and logamediate inflations for which our models are compatible with the 68% or 95% CL regions of the Planck 2015 TT,TE,EE+lowP data. Using the allowed ranges of the parameter space of the intermediate and logamediate inflationary models, we estimate the running of the scalar spectral index and find that it is compatible with the 95% CL constraint from the Planck 2015 TT,TE,EE+lowP data.

Galaxy Formation Efficiency and the Multiverse Explanation of the Cosmological Constant with EAGLE Simulations

NASA Astrophysics Data System (ADS)

Barnes, Luke A.; Elahi, Pascal J.; Salcido, Jaime; Bower, Richard G.; Lewis, Geraint F.; Theuns, Tom; Schaller, Matthieu; Crain, Robert A.; Schaye, Joop

2018-04-01

Models of the very early universe, including inflationary models, are argued to produce varying universe domains with different values of fundamental constants and cosmic parameters. Using the cosmological hydrodynamical simulation code from the EAGLE collaboration, we investigate the effect of the cosmological constant on the formation of galaxies and stars. We simulate universes with values of the cosmological constant ranging from Λ = 0 to Λ0 × 300, where Λ0 is the value of the cosmological constant in our Universe. Because the global star formation rate in our Universe peaks at t = 3.5 Gyr, before the onset of accelerating expansion, increases in Λ of even an order of magnitude have only a small effect on the star formation history and efficiency of the universe. We use our simulations to predict the observed value of the cosmological constant, given a measure of the multiverse. Whether the cosmological constant is successfully predicted depends crucially on the measure. The impact of the cosmological constant on the formation of structure in the universe does not seem to be a sharp enough function of Λ to explain its observed value alone.

Galaxy formation efficiency and the multiverse explanation of the cosmological constant with EAGLE simulations

NASA Astrophysics Data System (ADS)

Barnes, Luke A.; Elahi, Pascal J.; Salcido, Jaime; Bower, Richard G.; Lewis, Geraint F.; Theuns, Tom; Schaller, Matthieu; Crain, Robert A.; Schaye, Joop

2018-07-01

Models of the very early Universe, including inflationary models, are argued to produce varying universe domains with different values of fundamental constants and cosmic parameters. Using the cosmological hydrodynamical simulation code from the EAGLE collaboration, we investigate the effect of the cosmological constant on the formation of galaxies and stars. We simulate universes with values of the cosmological constant ranging from Λ = 0 to Λ0 × 300, where Λ0 is the value of the cosmological constant in our Universe. Because the global star formation rate in our Universe peaks at t = 3.5 Gyr, before the onset of accelerating expansion, increases in Λ of even an order of magnitude have only a small effect on the star formation history and efficiency of the universe. We use our simulations to predict the observed value of the cosmological constant, given a measure of the multiverse. Whether the cosmological constant is successfully predicted depends crucially on the measure. The impact of the cosmological constant on the formation of structure in the universe does not seem to be a sharp enough function of Λ to explain its observed value alone.

Grain-Size Based Additivity Models for Scaling Multi-rate Uranyl Surface Complexation in Subsurface Sediments

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

Zhang, Xiaoying; Liu, Chongxuan; Hu, Bill X.

This study statistically analyzed a grain-size based additivity model that has been proposed to scale reaction rates and parameters from laboratory to field. The additivity model assumed that reaction properties in a sediment including surface area, reactive site concentration, reaction rate, and extent can be predicted from field-scale grain size distribution by linearly adding reaction properties for individual grain size fractions. This study focused on the statistical analysis of the additivity model with respect to reaction rate constants using multi-rate uranyl (U(VI)) surface complexation reactions in a contaminated sediment as an example. Experimental data of rate-limited U(VI) desorption in amore » stirred flow-cell reactor were used to estimate the statistical properties of multi-rate parameters for individual grain size fractions. The statistical properties of the rate constants for the individual grain size fractions were then used to analyze the statistical properties of the additivity model to predict rate-limited U(VI) desorption in the composite sediment, and to evaluate the relative importance of individual grain size fractions to the overall U(VI) desorption. The result indicated that the additivity model provided a good prediction of the U(VI) desorption in the composite sediment. However, the rate constants were not directly scalable using the additivity model, and U(VI) desorption in individual grain size fractions have to be simulated in order to apply the additivity model. An approximate additivity model for directly scaling rate constants was subsequently proposed and evaluated. The result found that the approximate model provided a good prediction of the experimental results within statistical uncertainty. This study also found that a gravel size fraction (2-8mm), which is often ignored in modeling U(VI) sorption and desorption, is statistically significant to the U(VI) desorption in the sediment.« less

Conformist-contrarian interactions and amplitude dependence in the Kuramoto model

NASA Astrophysics Data System (ADS)

Lohe, M. A.

2014-11-01

We derive exact formulas for the frequency of synchronized oscillations in Kuramoto models with conformist-contrarian interactions, and determine necessary conditions for synchronization to occur. Numerical computations show that for certain parameters repulsive nodes behave as conformists, and that in other cases attractive nodes can display frustration, being neither conformist nor contrarian. The signs of repulsive couplings can be placed equivalently outside the sum, as proposed in Hong and Strogatz (2011 Phys. Rev. Lett. 106 054102), or inside the sum as in Hong and Strogatz (2012 Phys. Rev. E 85 056210), but the two models have different characteristics for small magnitudes of the coupling constants. In the latter case we show that the distributed coupling constants can be viewed as oscillator amplitudes which are constant in time, with the property that oscillators of small amplitude couple only weakly to connected nodes. Such models provide a means of investigating the effect of amplitude variations on synchronization properties.

Characterization of the High-Albedo NEA 3691 Bede

NASA Technical Reports Server (NTRS)

Wooden, Diane H.; Lederer, Susan M.; Jehin, Emmanuel; Rozitis, Benjamin; Jefferson, Jeffrey D.; Nelson, Tyler W.; Dotson, Jessie L.; Ryan, Erin L.; Howell, Ellen S.; Fernandez, Yanga R.;

Characterization of the high-albedo NEA 3691 Bede

NASA Astrophysics Data System (ADS)

Wooden, Diane H.; Lederer, Susan M.; Jehin, Emmanuel; Rozitis, Benjamin; Jefferson, Jeffrey D.; Nelson, Tyler W.; Dotson, Jessie L.; Ryan, Erin L.; Howell, Ellen S.; Fernandez, Yanga R.; Lovell, Amy J.; Woodward, Charles E.; Harker, David Emerson

2016-10-01

Characterization of NEAs provides important inputs to models for atmospheric entry, risk assessment and mitigation. Diameter is a key parameter because diameter translates to kinetic energy in atmospheric entry. Diameters can be derived from the absolute magnitude, H(PA=0deg), and from thermal modeling of observed IR fluxes. For both methods, the albedo (pv) is important - high pv surfaces have cooler temperatures, larger diameters for a given Hmag, and shallower phase curves (larger slope parameter G). Thermal model parameters are coupled, however, so that a higher thermal inertia also results in a cooler surface temperature. Multiple parameters contribute to constraining the diameter.Observations made at multiple observing geometries can contribute to understanding the relationships between and potentially breaking some of the degeneracies between parameters. We present data and analyses on NEA 3691 Bede with the aim of best constraining the diameter and pv from a combination of thermal modeling and light curve analyses. We employ our UKIRT+Michelle mid-IR photometric observations of 3691 Bede's thermal emission at 2 phase angles (27&43 deg 2015-03-19 & 04-13), in addition to WISE data (33deg 2010-05-27, Mainzer+2011).Observing geometries differ by solar phase angles and by moderate changes in heliocentric distance (e.g., further distances produce somewhat cooler surface temperatures). With the NEATM model and for a constant IR beaming parameter (eta=constant), there is a family of solutions for (diameter, pv, G, eta) where G is the slope parameter from the H-G Relation. NEATM models employing Pravec+2012's choice of G=0.43, produce D=1.8 km and pv≈0.4, given that G=0.43 is assumed from studies of main belt asteroids (Warner+2009). We present an analysis of the light curve of 3691 Bede to constrain G from observations. We also investigate fitting thermophysical models (TPM, Rozitis+11) to constrain the coupled parameters of thermal inertia (Gamma) and surface roughness, which in turn affect diameter and pv. Surface composition can be related to pv. This study focuses on understanding and characterizing the dependency of parameters with the aim of constraining diameter, pv and thermal inertia for 3691 Bede.

Modeling of polymer photodegradation for solar cell modules

NASA Technical Reports Server (NTRS)

Somersall, A. C.; Guillet, J. E.

1982-01-01

It was shown that many of the experimental observations in the photooxidation of hydrocarbon polymers can be accounted for with a computer simulation using an elementary mechanistic model with corresponding rate constants for each reaction. For outdoor applications, however, such as in photovoltaics, the variation of temperature must have important effects on the useful lifetimes of such materials. The data bank necessary to replace the isothermal rate constant values with Arrhenius activation parameters: A (the pre-exponential factor) and E (the activation energy) was searched. The best collection of data assembled to data is summarized. Note, however, that the problem is now considerably enlarged since from a theoretical point of view, with 51 of the input variables replaced with 102 parameters. The sensitivity of the overall scheme is such that even after many computer simulations, a successful photooxidation simulation with the expanded variable set was not completed. Many of the species in the complex process undergo a number of competitive pathways, the relative importance of each being often sensitive to small changes in the calculated rate constant values.

Double-layer optical fiber coating analysis in MHD flow of an elastico-viscous fluid using wet-on-wet coating process

NASA Astrophysics Data System (ADS)

Khan, Zeeshan; Islam, Saeed; Shah, Rehan Ali; Khan, Muhammad Altaf; Bonyah, Ebenezer; Jan, Bilal; Khan, Aurangzeb

Modern optical fibers require a double-layer coating on the glass fiber in order to provide protection from signal attenuation and mechanical damage. The most important plastic resins used in wires and optical fibers are plastic polyvinyl chloride (PVC) and low and high density polyethylene (LDPE/HDPE), nylon and Polysulfone. One of the most important things which affect the final product after processing is the design of the coating die. In the present study, double-layer optical fiber coating is performed using melt polymer satisfying Oldroyd 8-constant fluid model in a pressure type die with the effect of magneto-hydrodynamic (MHD). Wet-on-wet coating process is applied for double-layer optical fiber coating. The coating process in the coating die is modeled as a simple two-layer Couette flow of two immiscible fluids in an annulus with an assigned pressure gradient. Based on the assumptions of fully developed laminar and MHD flow, the Oldroyd 8-constant model of non-Newtonian fluid of two immiscible resin layers is modeled. The governing nonlinear equations are solved analytically by the new technique of Optimal Homotopy Asymptotic Method (OHAM). The convergence of the series solution is established. The results are also verified by the Adomian Decomposition Method (ADM). The effect of important parameters such as magnetic parameter Mi , the dilatant constant α , the Pseodoplastic constant β , the radii ratio δ , the pressure gradient Ω , the speed of fiber optics V , and the viscosity ratio κ on the velocity profiles, thickness of coated fiber optics, volume flow rate, and shear stress on the fiber optics are investigated. At the end the result of the present work is also compared with the experimental results already available in the literature by taking non-Newtonian parameters tends to zero.

Classification of solutions of elliptic equations arising from a gravitational O(3) gauge field model

NASA Astrophysics Data System (ADS)

Choi, Nari; Han, Jongmin

2018-04-01

In this paper, we study an elliptic equation arising from the self-dual Maxwell gauged O (3) sigma model coupled with gravity. When the parameter τ equals 1 and there is only one singular source, we consider radially symmetric solutions. There appear three important constants: a positive parameter a representing a scaled gravitational constant, a nonnegative integer N1 representing the total string number, and a nonnegative integer N2 representing the total anti-string number. The values of the products aN1 , aN2 ∈ [ 0 , ∞) play a crucial role in classifying radial solutions. By using the decay rates of solutions at infinity, we provide a complete classification of solutions for all possible values of aN1 and aN2. This improves previously known results.

Equilibrium star formation in a constant Q disc: model optimization and initial tests

NASA Astrophysics Data System (ADS)

Zheng, Zheng; Meurer, Gerhardt R.; Heckman, Timothy M.; Thilker, David A.; Zwaan, Martin A.

2013-10-01

We develop a model for the distribution of the interstellar medium (ISM) and star formation in galaxies based on recent studies that indicate that galactic discs stabilize to a constant stability parameter, which we combine with prescriptions of how the phases of the ISM are determined and for the star formation law (SFL). The model predicts the gas surface mass density and star formation intensity of a galaxy given its rotation curve, stellar surface mass density and the gas velocity dispersion. This model is tested on radial profiles of neutral and molecular ISM surface mass density and star formation intensity of 12 galaxies selected from the H I Nearby Galaxy Survey sample. Our tests focus on intermediate radii (0.3 to 1 times the optical radius) because there are insufficient data to test the outer discs and the fits are less accurate in detail in the centre. Nevertheless, the model produces reasonable agreement with the ISM mass and star formation rate integrated over the central region in all but one case. To optimize the model, we evaluate four recipes for the stability parameter, three recipes for apportioning the ISM into molecular and neutral components, and eight versions of the SFL. We find no clear-cut best prescription for the two-fluid (gas and stars) stability parameter Q2f and therefore for simplicity, we use the Wang and Silk approximation (QWS). We found that an empirical scaling between the molecular-to-neutral ISM ratio (Rmol) and the stellar surface mass density proposed by Leroy et al. works marginally better than the other two prescriptions for this ratio in predicting the ISM profiles, and noticeably better in predicting the star formation intensity from the ISM profiles produced by our model with the SFLs we tested. Thus, in the context of our modelled ISM profiles, the linear molecular SFL and the two-component SFL work better than the other prescriptions we tested. We incorporate these relations into our `constant Q disc' model.

14N Quadrupole Coupling in the Microwave Spectra of N-Vinylformamide

NASA Astrophysics Data System (ADS)

Kannengießer, Raphaela; Stahl, Wolfgang; Nguyen, Ha Vinh Lam; Bailey, William C.

2016-06-01

The microwave spectra of two conformers, trans and cis, of the title compound were recorded using two molecular beam Fourier transform microwave spectrometers operating in the frequency range 2 GHz to 40 GHz, and aimed at analysis of their 14N quadrupole hyperfine structures. Rotational constants, centrifugal distortion constants, and nuclear quadrupole coupling constants (NQCCs) χaa and χbb - χcc, were all determined with very high accuracy. Two fits including 176 and 117 hyperfine transitions were performed for the trans and cis conformers, respectively. Standard deviations of both fits are close to the measurement accuracy of 2 kHz. The NQCCs of the two conformers are almost exactly the same, and are compared with values found for other saturated and unsaturated formamides. Complementary quantum chemical calculations - MP2/6-311++G(d,p) rotational constants, MP2/cc-pVTZ centrifugal distortion constants, and B3PW91/6-311+G(d,p)//MP2/6-311++G(d,p) nuclear quadrupole coupling constants - give spectroscopic parameters in excellent agreement with the experimental parameters. B3PW91/6-311+G(d,p) calculated electric field gradients, in conjunction with eQ/h = 4.599(12) MHz/a.u., yields more reliable NQCCs for formamides possessing conjugated π-electron systems than does the B3PW91/6-311+G(df,pd) model recommended in Ref., whereas this latter performs better for aliphatic formamides. We conclude from this that f-polarization functions on heavy atoms hinder rather than help with modeling of conjugated π-electron systems. W. C. Bailey, Chem. Phys., 2000, 252, 57 W. C. Bailey, Calculation of Nuclear Quadrupole Coupling Constants in Gaseous State Molecules, http://nqcc.wcbailey.net/index.html.

An improved thermodynamic model for the complexation of trivalent actinides and lanthanide with oxalic acid valid to high ionic strength.

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

Xiong, Yongliang; Thakur, Punam; Borkowski, Marian

The dissociation constants of oxalic acid (Ox), and the stability constants of Am 3+, Cm 3+ and Eu 3+ with Ox 2– have been determined at 25 °C, over a range of concentration varying from 0.1 to 6.60 m NaClO4 using potentiometric titration and extraction techniques, respectively. The experimental data support the formation of complexes, M(Ox) n 3 – 2n, where (M = Am 3+, Cm 3+ and Eu 3+ and n = 1 and 2). The dissociation constant and the stability constant values measured as a function of NaClO 4 concentration were used to estimate the Pitzer parameters formore » the respective interactions of Am 3+, Cm 3+ and Eu 3+ with Ox. Furthermore, the stability constants data of Am 3+ –Ox measured in NaClO 4 and in NaCl solutions from the literature were simultaneously fitted in order to refine the existing actinide–oxalate complexation model that can be used universally in the safety assessment of radioactive waste disposal. The thermodynamic stability constant: log β 0 101 = 6.30 ± 0.06 and log β 0 102 = 10.84 ± 0.06 for Am 3+ was obtained by simultaneously fitting data in NaCl and NaClO 4 media. Additionally, log β 0 101 = 6.72 ± 0.08 and log β 0 102 = 11.05 ± 0.09 for the Cm 3+ and log β 0 101 = 6.67 ± 0.08 and log β 0 102 = 11.15 ± 0.09 for the Eu 3+ were calculated by extrapolation of data to zero ionic strength in NaClO 4 medium only. For all stability constants, the Pitzer model gives an excellent representation of the data using interaction parameters β (0), β (1), and CΦ determined in this work. The thermodynamic model developed in this work will be useful in accurately modeling the potential solubility of trivalent actinides and early lanthanides to ionic strength of 6.60 m in low temperature environments in the presence of Ox. Furthermore, the work is also applicable to the accurate modeling transport of rare earth elements in various environments under the surface conditions.« less

An improved thermodynamic model for the complexation of trivalent actinides and lanthanide with oxalic acid valid to high ionic strength.

DOE PAGES

Xiong, Yongliang; Thakur, Punam; Borkowski, Marian

2015-07-30

The dissociation constants of oxalic acid (Ox), and the stability constants of Am 3+, Cm 3+ and Eu 3+ with Ox 2– have been determined at 25 °C, over a range of concentration varying from 0.1 to 6.60 m NaClO4 using potentiometric titration and extraction techniques, respectively. The experimental data support the formation of complexes, M(Ox) n 3 – 2n, where (M = Am 3+, Cm 3+ and Eu 3+ and n = 1 and 2). The dissociation constant and the stability constant values measured as a function of NaClO 4 concentration were used to estimate the Pitzer parameters formore » the respective interactions of Am 3+, Cm 3+ and Eu 3+ with Ox. Furthermore, the stability constants data of Am 3+ –Ox measured in NaClO 4 and in NaCl solutions from the literature were simultaneously fitted in order to refine the existing actinide–oxalate complexation model that can be used universally in the safety assessment of radioactive waste disposal. The thermodynamic stability constant: log β 0 101 = 6.30 ± 0.06 and log β 0 102 = 10.84 ± 0.06 for Am 3+ was obtained by simultaneously fitting data in NaCl and NaClO 4 media. Additionally, log β 0 101 = 6.72 ± 0.08 and log β 0 102 = 11.05 ± 0.09 for the Cm 3+ and log β 0 101 = 6.67 ± 0.08 and log β 0 102 = 11.15 ± 0.09 for the Eu 3+ were calculated by extrapolation of data to zero ionic strength in NaClO 4 medium only. For all stability constants, the Pitzer model gives an excellent representation of the data using interaction parameters β (0), β (1), and CΦ determined in this work. The thermodynamic model developed in this work will be useful in accurately modeling the potential solubility of trivalent actinides and early lanthanides to ionic strength of 6.60 m in low temperature environments in the presence of Ox. Furthermore, the work is also applicable to the accurate modeling transport of rare earth elements in various environments under the surface conditions.« less

Effects of gas sorption-induced swelling/shrinkage on the cleat compressibility of coal under different bedding directions.

PubMed

Peng, Shoujian; Fang, Zhiming; Shen, Jian; Xu, Jiang; Wang, Geoff

2017-10-30

The cleat compressibility of coal is a key parameter that is extensively used in modeling the coal reservoir permeability for Coal Bed Methane (CBM) recovery. Cleat compressibility is often determined from the permeability measurement made at different confining pressures but with a constant pore pressure. Hence, this parameter ignores the sorption strain effects on the cleat compressibility. By using the transient pulse decay (TPD) technique, this study presents the results from a laboratory characterization program using coal core drilled from different bedding directions to estimate gas permeability and coal cleat compressibility under different pore pressures while maintaining effective stress constant. Cleat compressibility was determined from permeability and sorption strain measurements that are made at different pore pressures under an effective stress constant. Results show that the cleat compressibility of coal increases slightly with the increase of pore pressure. Moreover, the cleat compressibility of Sample P (representing the face cleats in coal) is larger than that of Sample C (representing the butt cleats in coal). This result suggests that cleat compressibility should not be regarded as constant in the modeling of the CBM recovery. Furthermore, the compressibility of face cleats is considerably sensitive to the sorption-induced swelling/shrinkage and offers significant effects on the coal permeability.

Modeling As(III) oxidation and removal with iron electrocoagulation in groundwater.

PubMed

Li, Lei; van Genuchten, Case M; Addy, Susan E A; Yao, Juanjuan; Gao, Naiyun; Gadgil, Ashok J

2012-11-06

Understanding the chemical kinetics of arsenic during electrocoagulation (EC) treatment is essential for a deeper understanding of arsenic removal using EC under a variety of operating conditions and solution compositions. We describe a highly constrained, simple chemical dynamic model of As(III) oxidation and As(III,V), Si, and P sorption for the EC system using model parameters extracted from some of our experimental results and previous studies. Our model predictions agree well with both data extracted from previous studies and our observed experimental data over a broad range of operating conditions (charge dosage rate) and solution chemistry (pH, co-occurring ions) without free model parameters. Our model provides insights into why higher pH and lower charge dosage rate (Coulombs/L/min) facilitate As(III) removal by EC and sheds light on the debate in the recent published literature regarding the mechanism of As(III) oxidation during EC. Our model also provides practically useful estimates of the minimum amount of iron required to remove 500 μg/L As(III) to <50 μg/L. Parameters measured in this work include the ratio of rate constants for Fe(II) and As(III) reactions with Fe(IV) in synthetic groundwater (k(1)/k(2) = 1.07) and the apparent rate constant of Fe(II) oxidation with dissolved oxygen at pH 7 (k(app) = 10(0.22) M(-1)s(-1)).

Passive air sampling theory for semivolatile organic compounds.

PubMed

Bartkow, Michael E; Booij, Kees; Kennedy, Karen E; Müller, Jochen F; Hawker, Darryl W

2005-07-01

The mathematical modelling underlying passive air sampling theory can be based on mass transfer coefficients or rate constants. Generally, these models have not been inter-related. Starting with basic models, the exchange of chemicals between the gaseous phase and the sampler is developed using mass transfer coefficients and rate constants. Importantly, the inter-relationships between the approaches are demonstrated by relating uptake rate constants and loss rate constants to mass transfer coefficients when either sampler-side or air-side resistance is dominating chemical exchange. The influence of sampler area and sampler volume on chemical exchange is discussed in general terms and as they relate to frequently used parameters such as sampling rates and time to equilibrium. Where air-side or sampler-side resistance dominates, an increase in the surface area of the sampler will increase sampling rates. Sampling rates are not related to the sampler/air partition coefficient (K(SV)) when air-side resistance dominates and increase with K(SV) when sampler-side resistance dominates.

Hierarchical optimization for neutron scattering problems

DOE PAGES

Bao, Feng; Archibald, Rick; Bansal, Dipanshu; ...

2016-03-14

In this study, we present a scalable optimization method for neutron scattering problems that determines confidence regions of simulation parameters in lattice dynamics models used to fit neutron scattering data for crystalline solids. The method uses physics-based hierarchical dimension reduction in both the computational simulation domain and the parameter space. We demonstrate for silicon that after a few iterations the method converges to parameters values (interatomic force-constants) computed with density functional theory simulations.

Hierarchical optimization for neutron scattering problems

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

Bao, Feng; Archibald, Rick; Bansal, Dipanshu

In this study, we present a scalable optimization method for neutron scattering problems that determines confidence regions of simulation parameters in lattice dynamics models used to fit neutron scattering data for crystalline solids. The method uses physics-based hierarchical dimension reduction in both the computational simulation domain and the parameter space. We demonstrate for silicon that after a few iterations the method converges to parameters values (interatomic force-constants) computed with density functional theory simulations.

On the influences of key modelling constants of large eddy simulations for large-scale compartment fires predictions

NASA Astrophysics Data System (ADS)

Yuen, Anthony C. Y.; Yeoh, Guan H.; Timchenko, Victoria; Cheung, Sherman C. P.; Chan, Qing N.; Chen, Timothy

2017-09-01

An in-house large eddy simulation (LES) based fire field model has been developed for large-scale compartment fire simulations. The model incorporates four major components, including subgrid-scale turbulence, combustion, soot and radiation models which are fully coupled. It is designed to simulate the temporal and fluid dynamical effects of turbulent reaction flow for non-premixed diffusion flame. Parametric studies were performed based on a large-scale fire experiment carried out in a 39-m long test hall facility. Several turbulent Prandtl and Schmidt numbers ranging from 0.2 to 0.5, and Smagorinsky constants ranging from 0.18 to 0.23 were investigated. It was found that the temperature and flow field predictions were most accurate with turbulent Prandtl and Schmidt numbers of 0.3, respectively, and a Smagorinsky constant of 0.2 applied. In addition, by utilising a set of numerically verified key modelling parameters, the smoke filling process was successfully captured by the present LES model.

Nonparametric Determination of Redshift Evolution Index of Dark Energy

NASA Astrophysics Data System (ADS)

Ziaeepour, Houri

We propose a nonparametric method to determine the sign of γ — the redshift evolution index of dark energy. This is important for distinguishing between positive energy models, a cosmological constant, and what is generally called ghost models. Our method is based on geometrical properties and is more tolerant to uncertainties of other cosmological parameters than fitting methods in what concerns the sign of γ. The same parametrization can also be used for determining γ and its redshift dependence by fitting. We apply this method to SNLS supernovae and to gold sample of re-analyzed supernovae data from Riess et al. Both datasets show strong indication of a negative γ. If this result is confirmed by more extended and precise data, many of the dark energy models, including simple cosmological constant, standard quintessence models without interaction between quintessence scalar field(s) and matter, and scaling models are ruled out. We have also applied this method to Gurzadyan-Xue models with varying fundamental constants to demonstrate the possibility of using it to test other cosmologies.

The Finite-Size Scaling Relation for the Order-Parameter Probability Distribution of the Six-Dimensional Ising Model

NASA Astrophysics Data System (ADS)

Merdan, Ziya; Karakuş, Özlem

2016-11-01

The six dimensional Ising model with nearest-neighbor pair interactions has been simulated and verified numerically on the Creutz Cellular Automaton by using five bit demons near the infinite-lattice critical temperature with the linear dimensions L=4,6,8,10. The order parameter probability distribution for six dimensional Ising model has been calculated at the critical temperature. The constants of the analytical function have been estimated by fitting to probability function obtained numerically at the finite size critical point.

Sloppy-model universality class and the Vandermonde matrix.

PubMed

Waterfall, Joshua J; Casey, Fergal P; Gutenkunst, Ryan N; Brown, Kevin S; Myers, Christopher R; Brouwer, Piet W; Elser, Veit; Sethna, James P

2006-10-13

In a variety of contexts, physicists study complex, nonlinear models with many unknown or tunable parameters to explain experimental data. We explain why such systems so often are sloppy: the system behavior depends only on a few "stiff" combinations of the parameters and is unchanged as other "sloppy" parameter combinations vary by orders of magnitude. We observe that the eigenvalue spectra for the sensitivity of sloppy models have a striking, characteristic form with a density of logarithms of eigenvalues which is roughly constant over a large range. We suggest that the common features of sloppy models indicate that they may belong to a common universality class. In particular, we motivate focusing on a Vandermonde ensemble of multiparameter nonlinear models and show in one limit that they exhibit the universal features of sloppy models.

The effects of rigid motions on elastic network model force constants

PubMed Central

Lezon, Timothy R.

2012-01-01

Elastic network models provide an efficient way to quickly calculate protein global dynamics from experimentally determined structures. The model’s single parameter, its force constant, determines the physical extent of equilibrium fluctuations. The values of force constants can be calculated by fitting to experimental data, but the results depend on the type of experimental data used. Here we investigate the differences between calculated values of force constants _t to data from NMR and X-ray structures. We find that X-ray B factors carry the signature of rigid-body motions, to the extent that B factors can be almost entirely accounted for by rigid motions alone. When fitting to more refined anisotropic temperature factors, the contributions of rigid motions are significantly reduced, indicating that the large contribution of rigid motions to B factors is a result of over-fitting. No correlation is found between force constants fit to NMR data and those fit to X-ray data, possibly due to the inability of NMR data to accurately capture protein dynamics. PMID:22228562

Modeling the human as a controller in a multitask environment

NASA Technical Reports Server (NTRS)

Govindaraj, T.; Rouse, W. B.

1978-01-01

Modeling the human as a controller of slowly responding systems with preview is considered. Along with control tasks, discrete noncontrol tasks occur at irregular intervals. In multitask situations such as these, it has been observed that humans tend to apply piecewise constant controls. It is believed that the magnitude of controls and the durations for which they remain constant are dependent directly on the system bandwidth, preview distance, complexity of the trajectory to be followed, and nature of the noncontrol tasks. A simple heuristic model of human control behavior in this situation is presented. The results of a simulation study, whose purpose was determination of the sensitivity of the model to its parameters, are discussed.

OPC modeling by genetic algorithm

NASA Astrophysics Data System (ADS)

Huang, W. C.; Lai, C. M.; Luo, B.; Tsai, C. K.; Tsay, C. S.; Lai, C. W.; Kuo, C. C.; Liu, R. G.; Lin, H. T.; Lin, B. J.

2005-05-01

Optical proximity correction (OPC) is usually used to pre-distort mask layouts to make the printed patterns as close to the desired shapes as possible. For model-based OPC, a lithographic model to predict critical dimensions after lithographic processing is needed. The model is usually obtained via a regression of parameters based on experimental data containing optical proximity effects. When the parameters involve a mix of the continuous (optical and resist models) and the discrete (kernel numbers) sets, the traditional numerical optimization method may have difficulty handling model fitting. In this study, an artificial-intelligent optimization method was used to regress the parameters of the lithographic models for OPC. The implemented phenomenological models were constant-threshold models that combine diffused aerial image models with loading effects. Optical kernels decomposed from Hopkin"s equation were used to calculate aerial images on the wafer. Similarly, the numbers of optical kernels were treated as regression parameters. This way, good regression results were obtained with different sets of optical proximity effect data.

Mathematical modeling of PDC bit drilling process based on a single-cutter mechanics

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

Wojtanowicz, A.K.; Kuru, E.

1993-12-01

An analytical development of a new mechanistic drilling model for polycrystalline diamond compact (PDC) bits is presented. The derivation accounts for static balance of forces acting on a single PDC cutter and is based on assumed similarity between bit and cutter. The model is fully explicit with physical meanings given to all constants and functions. Three equations constitute the mathematical model: torque, drilling rate, and bit life. The equations comprise cutter`s geometry, rock properties drilling parameters, and four empirical constants. The constants are used to match the model to a PDC drilling process. Also presented are qualitative and predictive verificationsmore » of the model. Qualitative verification shows that the model`s response to drilling process variables is similar to the behavior of full-size PDC bits. However, accuracy of the model`s predictions of PDC bit performance is limited primarily by imprecision of bit-dull evaluation. The verification study is based upon the reported laboratory drilling and field drilling tests as well as field data collected by the authors.« less

A simple model for constant storage modulus of poly (lactic acid)/poly (ethylene oxide)/carbon nanotubes nanocomposites at low frequencies assuming the properties of interphase regions and networks.

PubMed

Zare, Yasser; Rhim, Sungsoo; Garmabi, Hamid; Rhee, Kyong Yop

2018-04-01

The networks of nanoparticles in nanocomposites cause solid-like behavior demonstrating a constant storage modulus at low frequencies. This study examines the storage modulus of poly (lactic acid)/poly (ethylene oxide)/carbon nanotubes (CNT) nanocomposites. The experimental data of the storage modulus in the plateau regions are obtained by a frequency sweep test. In addition, a simple model is developed to predict the constant storage modulus assuming the properties of the interphase regions and the CNT networks. The model calculations are compared with the experimental results, and the parametric analyses are applied to validate the predictability of the developed model. The calculations properly agree with the experimental data at all polymer and CNT concentrations. Moreover, all parameters acceptably modulate the constant storage modulus. The percentage of the networked CNT, the modulus of networks, and the thickness and modulus of the interphase regions directly govern the storage modulus of nanocomposites. The outputs reveal the important roles of the interphase properties in the storage modulus. Copyright © 2018 Elsevier Ltd. All rights reserved.

The effect of concentration- and temperature-dependent dielectric constant on the activity coefficient of NaCl electrolyte solutions

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

Valiskó, Mónika; Boda, Dezső, E-mail: boda@almos.vein.hu

2014-06-21

Our implicit-solvent model for the estimation of the excess chemical potential (or, equivalently, the activity coefficient) of electrolytes is based on using a dielectric constant that depends on the thermodynamic state, namely, the temperature and concentration of the electrolyte, ε(c, T). As a consequence, the excess chemical potential is split into two terms corresponding to ion-ion (II) and ion-water (IW) interactions. The II term is obtained from computer simulation using the Primitive Model of electrolytes, while the IW term is estimated from the Born treatment. In our previous work [J. Vincze, M. Valiskó, and D. Boda, “The nonmonotonic concentration dependencemore » of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations,” J. Chem. Phys. 133, 154507 (2010)], we showed that the nonmonotonic concentration dependence of the activity coefficient can be reproduced qualitatively with this II+IW model without using any adjustable parameter. The Pauling radii were used in the calculation of the II term, while experimental solvation free energies were used in the calculation of the IW term. In this work, we analyze the effect of the parameters (dielectric constant, ionic radii, solvation free energy) on the concentration and temperature dependence of the mean activity coefficient of NaCl. We conclude that the II+IW model can explain the experimental behavior using a concentration-dependent dielectric constant and that we do not need the artificial concept of “solvated ionic radius” assumed by earlier studies.« less

Simulating the effects of fluctuating dissolved oxygen on growth, reproduction, and survival of fish and shrimp.

PubMed

Miller Neilan, Rachael; Rose, Kenneth

2014-02-21

Individuals are commonly exposed to fluctuating levels of stressors, while most laboratory experiments focus on constant exposures. We develop and test a mathematical model for predicting the effects of low dissolved oxygen (hypoxia) on growth, reproduction, and survival using laboratory experiments on fish and shrimp. The exposure-effects model simulates the hourly reductions in growth and survival, and the reduction in reproduction (fecundity) at times of spawning, of an individual as it is exposed to constant or hourly fluctuating dissolved oxygen (DO) concentrations. The model was applied to seven experiments involving fish and shrimp that included constant and fluctuating DO exposures, with constant exposures used for parameter estimation and the model then used to simulate the growth, reproduction, and survival in the fluctuating treatments. Cumulative effects on growth, reproduction, and survival were predicted well by the model, but the model did not replay the observed episodic low survival days. Further investigation should involve the role of acclimation, possible inclusion of repair effects in reproduction and survival, and the sensitivity of model predictions to the shape of the immediate effects function. Additional testing of the model with other taxa, different patterns of fluctuating exposures, and different stressors is needed to determine the model's generality and robustness. © 2013 Elsevier Ltd. All rights reserved.

The Dependence of the Spring Constant in the Linear Range on Spring Parameters

ERIC Educational Resources Information Center

Khotimah, Siti Nurul; Viridi, Sparisoma; Widayani; Khairurrijal

2011-01-01

In basic physics laboratories, springs are normally used to determine both spring constants and the Earth's gravitational acceleration. Students generally do not notice that the spring constant is not a universal constant, but depends on the spring parameters. This paper shows and verifies that the spring constant in the linear range is inversely…

Bayesian dynamic modeling of time series of dengue disease case counts.

PubMed

Martínez-Bello, Daniel Adyro; López-Quílez, Antonio; Torres-Prieto, Alexander

2017-07-01

The aim of this study is to model the association between weekly time series of dengue case counts and meteorological variables, in a high-incidence city of Colombia, applying Bayesian hierarchical dynamic generalized linear models over the period January 2008 to August 2015. Additionally, we evaluate the model's short-term performance for predicting dengue cases. The methodology shows dynamic Poisson log link models including constant or time-varying coefficients for the meteorological variables. Calendar effects were modeled using constant or first- or second-order random walk time-varying coefficients. The meteorological variables were modeled using constant coefficients and first-order random walk time-varying coefficients. We applied Markov Chain Monte Carlo simulations for parameter estimation, and deviance information criterion statistic (DIC) for model selection. We assessed the short-term predictive performance of the selected final model, at several time points within the study period using the mean absolute percentage error. The results showed the best model including first-order random walk time-varying coefficients for calendar trend and first-order random walk time-varying coefficients for the meteorological variables. Besides the computational challenges, interpreting the results implies a complete analysis of the time series of dengue with respect to the parameter estimates of the meteorological effects. We found small values of the mean absolute percentage errors at one or two weeks out-of-sample predictions for most prediction points, associated with low volatility periods in the dengue counts. We discuss the advantages and limitations of the dynamic Poisson models for studying the association between time series of dengue disease and meteorological variables. The key conclusion of the study is that dynamic Poisson models account for the dynamic nature of the variables involved in the modeling of time series of dengue disease, producing useful models for decision-making in public health.

Zel'dovich Λ and Weinberg's relation: an explanation for the cosmological coincidences

NASA Astrophysics Data System (ADS)

Alfonso-Faus, Antonio

2008-11-01

In 1937 Dirac proposed the large number hypothesis (LNH). The idea was to explain that these numbers were large because the Universe is old. A time variation of certain “constants” was assumed. So far, no experimental evidence has significantly supported this time variation. Here we present a simplified cosmological model. We propose a new cosmological system of units, including a cosmological Planck’s constant that “absorbs” the well known large number 10120. With this new Planck’s constant no large numbers appear at the cosmological level. They appear at lower levels, e.g. at the quantum world. We note here that Zel’dovich formula, for the cosmological constant Λ, is equivalent to the Weinberg’s relation. The immediate conclusion is that the speed of light c must be proportional to the Hubble parameter H, and therefore decrease with time. We find that the gravitational radius of the Universe and its size are one and the same constant (Mach’s principle). The usual cosmological Ω’s parameters for mass, lambda and curvature turn out to be all constants of order one. The anthropic principle is not necessary in this theory. It is shown that a factor of 1061 converts in this theory a Planck fluctuation (a quantum black hole) into a cosmological quantum black hole: the Universe today. General relativity and quantum mechanics give the same local solution of an expanding Universe with the law a( t)≈constṡ t. This constant is just the speed of light today. Then the Hubble parameter is exactly H= a( t)'/ a( t)=1/ t.

The large amplitude motions of methylamine from the perspective of the highly correlated ab initio methods

NASA Astrophysics Data System (ADS)

Senent, M. L.

2018-01-01

CCSD(T)-F12 theory in connection with extended basis sets is employed to determine the electronic ground state spectroscopic parameters of methylamine at low temperatures. The geometry, the rotational constants, all the fundamental frequencies, the dipole moment and its components, and the centrifugal distortion constants, are provided. The ground vibrational state rotational constants were found to be A0 = 103067.15 MHz, B0 = 22588.29 MHz, and C0 = 21710.50 MHz and the dipole moment to be 1.4071D. Fermi displacements of the vibrational bands are predicted. The low vibrational energy levels corresponding to the large amplitude motions are determine variationally using a flexible three-dimensional model depending on three variables: the HNH bending, the NH2 wagging and the CH3 torsional coordinates. The computed levels are compared with previous experimental and calculated energies. Methylamine parameters are very sensitive to the level of ab initio calculations.

Breathing dynamics based parameter sensitivity analysis of hetero-polymeric DNA

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

Talukder, Srijeeta; Sen, Shrabani; Chaudhury, Pinaki, E-mail: pinakc@rediffmail.com

We study the parameter sensitivity of hetero-polymeric DNA within the purview of DNA breathing dynamics. The degree of correlation between the mean bubble size and the model parameters is estimated for this purpose for three different DNA sequences. The analysis leads us to a better understanding of the sequence dependent nature of the breathing dynamics of hetero-polymeric DNA. Out of the 14 model parameters for DNA stability in the statistical Poland-Scheraga approach, the hydrogen bond interaction ε{sub hb}(AT) for an AT base pair and the ring factor ξ turn out to be the most sensitive parameters. In addition, the stackingmore » interaction ε{sub st}(TA-TA) for an TA-TA nearest neighbor pair of base-pairs is found to be the most sensitive one among all stacking interactions. Moreover, we also establish that the nature of stacking interaction has a deciding effect on the DNA breathing dynamics, not the number of times a particular stacking interaction appears in a sequence. We show that the sensitivity analysis can be used as an effective measure to guide a stochastic optimization technique to find the kinetic rate constants related to the dynamics as opposed to the case where the rate constants are measured using the conventional unbiased way of optimization.« less

n-dimensional isotropic Finch-Skea stars

NASA Astrophysics Data System (ADS)

Chilambwe, Brian; Hansraj, Sudan

2015-02-01

We study the impact of dimension on the physical properties of the Finch-Skea astrophysical model. It is shown that a positive definite, monotonically decreasing pressure and density are evident. A decrease in stellar radius emerges as the order of the dimension increases. This is accompanied by a corresponding increase in energy density. The model continues to display the necessary qualitative features inherent in the 4-dimensional Finch-Skea star and the conformity to the Walecka theory is preserved under dimensional increase. The causality condition is always satisfied for all dimensions considered resulting in the proposed models demonstrating a subluminal sound speed throughout the interior of the distribution. Moreover, the pressure and density decrease monotonically outwards from the centre and a pressure-free hypersurface exists demarcating the boundary of the perfect-fluid sphere. Since the study of the physical conditions is performed graphically, it is necessary to specify certain constants in the model. Reasonable values for such constants are arrived at on examining the behaviour of the model at the centre and demanding the satisfaction of all elementary conditions for physical plausibility. Finally two constants of integration are settled on matching of our solutions with the appropriate Schwarzschild-Tangherlini exterior metrics. Furthermore, the solution admits a barotropic equation of state despite the higher dimension. The compactification parameter as well as the density variation parameter are also computed. The models satisfy the weak, strong and dominant energy conditions in the interior of the stellar configuration.

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

NASA Astrophysics Data System (ADS)

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

2013-06-01

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

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

PubMed

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

2013-06-26

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

Density-dependent home-range size revealed by spatially explicit capture–recapture

USGS Publications Warehouse

Efford, M.G.; Dawson, Deanna K.; Jhala, Y.V.; Qureshi, Q.

2016-01-01

The size of animal home ranges often varies inversely with population density among populations of a species. This fact has implications for population monitoring using spatially explicit capture–recapture (SECR) models, in which both the scale of home-range movements σ and population density D usually appear as parameters, and both may vary among populations. It will often be appropriate to model a structural relationship between population-specific values of these parameters, rather than to assume independence. We suggest re-parameterizing the SECR model using kp = σp √Dp, where kp relates to the degree of overlap between home ranges and the subscript p distinguishes populations. We observe that kp is often nearly constant for populations spanning a range of densities. This justifies fitting a model in which the separate kp are replaced by the single parameter k and σp is a density-dependent derived parameter. Continuous density-dependent spatial variation in σ may also be modelled, using a scaled non-Euclidean distance between detectors and the locations of animals. We illustrate these methods with data from automatic photography of tigers (Panthera tigris) across India, in which the variation is among populations, from mist-netting of ovenbirds (Seiurus aurocapilla) in Maryland, USA, in which the variation is within a single population over time, and from live-trapping of brushtail possums (Trichosurus vulpecula) in New Zealand, modelling spatial variation within one population. Possible applications and limitations of the methods are discussed. A model in which kp is constant, while density varies, provides a parsimonious null model for SECR. The parameter k of the null model is a concise summary of the empirical relationship between home-range size and density that is useful in comparative studies. We expect deviations from this model, particularly the dependence of kp on covariates, to be biologically interesting.

Microwave Spectra of the Two Conformers of PROPENE-3-{d}_1 and a Semiexperimental Equilibrium Structure of Propene

NASA Astrophysics Data System (ADS)

Craig, Norman C.; Demaison, J.; Rudolph, Heinz Dieter; Gurusinghe, Ranil M.; Tubergen, Michael; Coudert, L. H.; Szalay, Peter; Császár, Attila

2017-06-01

FT microwave spectra have been observed and analyzed for the S (in-plane) and A (out-of-plane) conformers of propene-3-{d}_1 in the 10-22 GHz region. Both conformers display splittings due to deuterium quadrupole coupling; for the latter one only, a 19 MHz splitting due to internal rotation of the partially deuterated methyl group has been observed. In addition to rotational constants, the analysis yielded quadrupole coupling constants and parameters describing the tunneling splitting and its rotational dependence. Improved rotational constants for parent propene and the three ^{13}C_1 species are recently available. Use of vibration-rotation interaction constants computed at the MP2(FC)/cc-pVTZ level gave equilibrium rotational constants for these six species and for fourteen more deuterium isotopologues with diminished accuracy from early literature data. A semiexperimental equilibrium structure, r_e^{SE}, has been determined for propene by fitting fourteen structural parameters to the equilibrium rotational constants. The new r_e^{SE} structure compares well with an ab initio equilibrium structure computed with the all-electron CCSD(T)/cc-pV(Q,T)Z model and with a structure obtained using the mixed regression method with predicates and equilibrium rotational constants. N. C. Craig, P. Groner, A. R. Conrad, R. Gurusinghe, M. J. Tubergen J. Mol. Spectrosc. 248, 1-6 (2016).

Thermal characterizations analysis of high-power ThinGaN cool-white light-emitting diodes

NASA Astrophysics Data System (ADS)

Raypah, Muna E.; Devarajan, Mutharasu; Ahmed, Anas A.; Sulaiman, Fauziah

2018-03-01

Analysis of thermal properties plays an important role in the thermal management of high-power (HP) lighting-emitting diodes (LEDs). Thermal resistance, thermal capacitance, and thermal time constant are essential parameters for the optimal design of the LED device and system, particularly for dynamic performance study. In this paper, thermal characterization and thermal time constant of ThinGaN HP LEDs are investigated. Three HP cool-white ThinGaN LEDs from different manufacturers are used in this study. A forward-voltage method using thermal transient tester (T3Ster) system is employed to determine the LEDs' thermal parameters at various operating conditions. The junction temperature transient response is described by a multi-exponential function model to extract thermal time constants. The transient response curve is divided into three layers and expressed by three exponential functions. Each layer is associated with a particular thermal time constant, thermal resistance, and thermal capacitance. It is found that the thermal time constant of LED package is on the order of 22 to 100 ms. Comparison between the experimental results is carried out to show the design effects on thermal performance of the LED package.

Tibiofemoral wear in standard and non-standard squat: implication for total knee arthroplasty.

PubMed

Fekete, Gusztáv; Sun, Dong; Gu, Yaodong; Neis, Patric Daniel; Ferreira, Ney Francisco; Innocenti, Bernardo; Csizmadia, Béla M

2017-01-01

Due to the more resilient biomaterials, problems related to wear in total knee replacements (TKRs) have decreased but not disappeared. In the design-related factors, wear is still the second most important mechanical factor that limits the lifetime of TKRs and it is also highly influenced by the local kinematics of the knee. During wear experiments, constant load and slide-roll ratio is frequently applied in tribo-tests beside other important parameters. Nevertheless, numerous studies demonstrated that constant slide-roll ratio is not accurate approach if TKR wear is modelled, while instead of a constant load, a flexion-angle dependent tibiofemoral force should be involved into the wear model to obtain realistic results. A new analytical wear model, based upon Archard's law, is introduced, which can determine the effect of the tibiofemoral force and the varying slide-roll on wear between the tibiofemoral connection under standard and non-standard squat movement. The calculated total wear with constant slide-roll during standard squat was 5.5 times higher compared to the reference value, while if total wear includes varying slide-roll during standard squat, the calculated wear was approximately 6.25 times higher. With regard to non-standard squat, total wear with constant slide-roll during standard squat was 4.16 times higher than the reference value. If total wear included varying slide-roll, the calculated wear was approximately 4.75 times higher. It was demonstrated that the augmented force parameter solely caused 65% higher wear volume while the slide-roll ratio itself increased wear volume by 15% higher compared to the reference value. These results state that the force component has the major effect on wear propagation while non-standard squat should be proposed for TKR patients as rehabilitation exercise.

Tibiofemoral wear in standard and non-standard squat: implication for total knee arthroplasty

PubMed Central

Sun, Dong; Gu, Yaodong; Neis, Patric Daniel; Ferreira, Ney Francisco; Innocenti, Bernardo; Csizmadia, Béla M.

2017-01-01

Summary Introduction Due to the more resilient biomaterials, problems related to wear in total knee replacements (TKRs) have decreased but not disappeared. In the design-related factors, wear is still the second most important mechanical factor that limits the lifetime of TKRs and it is also highly influenced by the local kinematics of the knee. During wear experiments, constant load and slide-roll ratio is frequently applied in tribo-tests beside other important parameters. Nevertheless, numerous studies demonstrated that constant slide-roll ratio is not accurate approach if TKR wear is modelled, while instead of a constant load, a flexion-angle dependent tibiofemoral force should be involved into the wear model to obtain realistic results. Methods A new analytical wear model, based upon Archard’s law, is introduced, which can determine the effect of the tibiofemoral force and the varying slide-roll on wear between the tibiofemoral connection under standard and non-standard squat movement. Results The calculated total wear with constant slide-roll during standard squat was 5.5 times higher compared to the reference value, while if total wear includes varying slide-roll during standard squat, the calculated wear was approximately 6.25 times higher. With regard to non-standard squat, total wear with constant slide-roll during standard squat was 4.16 times higher than the reference value. If total wear included varying slide-roll, the calculated wear was approximately 4.75 times higher. Conclusions It was demonstrated that the augmented force parameter solely caused 65% higher wear volume while the slide-roll ratio itself increased wear volume by 15% higher compared to the reference value. These results state that the force component has the major effect on wear propagation while non-standard squat should be proposed for TKR patients as rehabilitation exercise. PMID:29721453

Deriving global parameter estimates for the Noah land surface model using FLUXNET and machine learning

NASA Astrophysics Data System (ADS)

Chaney, Nathaniel W.; Herman, Jonathan D.; Ek, Michael B.; Wood, Eric F.

2016-11-01

With their origins in numerical weather prediction and climate modeling, land surface models aim to accurately partition the surface energy balance. An overlooked challenge in these schemes is the role of model parameter uncertainty, particularly at unmonitored sites. This study provides global parameter estimates for the Noah land surface model using 85 eddy covariance sites in the global FLUXNET network. The at-site parameters are first calibrated using a Latin Hypercube-based ensemble of the most sensitive parameters, determined by the Sobol method, to be the minimum stomatal resistance (rs,min), the Zilitinkevich empirical constant (Czil), and the bare soil evaporation exponent (fxexp). Calibration leads to an increase in the mean Kling-Gupta Efficiency performance metric from 0.54 to 0.71. These calibrated parameter sets are then related to local environmental characteristics using the Extra-Trees machine learning algorithm. The fitted Extra-Trees model is used to map the optimal parameter sets over the globe at a 5 km spatial resolution. The leave-one-out cross validation of the mapped parameters using the Noah land surface model suggests that there is the potential to skillfully relate calibrated model parameter sets to local environmental characteristics. The results demonstrate the potential to use FLUXNET to tune the parameterizations of surface fluxes in land surface models and to provide improved parameter estimates over the globe.

Observation model and parameter partials for the JPL VLBI parameter estimation software MODEST/1991

NASA Technical Reports Server (NTRS)

Sovers, O. J.

1991-01-01

A revision is presented of MASTERFIT-1987, which it supersedes. Changes during 1988 to 1991 included introduction of the octupole component of solid Earth tides, the NUVEL tectonic motion model, partial derivatives for the precession constant and source position rates, the option to correct for source structure, a refined model for antenna offsets, modeling the unique antenna at Richmond, FL, improved nutation series due to Zhu, Groten, and Reigber, and reintroduction of the old (Woolard) nutation series for simulation purposes. Text describing the relativistic transformations and gravitational contributions to the delay model was also revised in order to reflect the computer code more faithfully.

Which model based on fluorescence quenching is suitable to study the interaction between trans-resveratrol and BSA?

NASA Astrophysics Data System (ADS)

Wei, Xin Lin; Xiao, Jian Bo; Wang, Yuanfeng; Bai, Yalong

2010-01-01

There are several models by means of quenching fluorescence of BSA to determine the binding parameters. The binding parameters obtained from different models are quite different from each other. Which model is suitable to study the interaction between trans-resveratrol and BSA? Herein, twelve models based fluorescence quenching of BSA were compared. The number of binding sites increasing with increased binding constant for similar compounds binding to BSA maybe one approach to resolve this question. For example, here eleven flavonoids were tested to illustrate that the double logarithm regression curve is suitable to study binding polyphenols to BSA.

Temporal variation and scaling of parameters for a monthly hydrologic model

NASA Astrophysics Data System (ADS)

Deng, Chao; Liu, Pan; Wang, Dingbao; Wang, Weiguang

2018-03-01

The temporal variation of model parameters is affected by the catchment conditions and has a significant impact on hydrological simulation. This study aims to evaluate the seasonality and downscaling of model parameter across time scales based on monthly and mean annual water balance models with a common model framework. Two parameters of the monthly model, i.e., k and m, are assumed to be time-variant at different months. Based on the hydrological data set from 121 MOPEX catchments in the United States, we firstly analyzed the correlation between parameters (k and m) and catchment properties (NDVI and frequency of rainfall events, α). The results show that parameter k is positively correlated with NDVI or α, while the correlation is opposite for parameter m, indicating that precipitation and vegetation affect monthly water balance by controlling temporal variation of parameters k and m. The multiple linear regression is then used to fit the relationship between ε and the means and coefficient of variations of parameters k and m. Based on the empirical equation and the correlations between the time-variant parameters and NDVI, the mean annual parameter ε is downscaled to monthly k and m. The results show that it has lower NSEs than these from model with time-variant k and m being calibrated through SCE-UA, while for several study catchments, it has higher NSEs than that of the model with constant parameters. The proposed method is feasible and provides a useful tool for temporal scaling of model parameter.

Modeling the effect of laser heating on the strength and failure of 7075-T6 aluminum

DOE PAGES

Florando, J. N.; Margraf, J. D.; Reus, J. F.; ...

2015-06-06

The effect of rapid laser heating on the response of 7075-T6 aluminum has been characterized using 3-D digital image correlation and a series of thermocouples. The experimental results indicate that as the samples are held under a constant load, the heating from the laser profile causes non-uniform temperature and strain fields, and the strain-rate increases dramatically as the sample nears failure. Simulations have been conducted using the LLNL multi-physics code ALE3D, and compared to the experiments. The strength and failure of the material was modeled using the Johnson–Cook strength and damage models. Here, in order to capture the response, amore » dual-condition criterion was utilized which calibrated one set of parameters to low temperature quasi-static strain rate data, while the other parameter set is calibrated to high temperature high strain rate data. The thermal effects were captured using temperature dependent thermal constants and invoking thermal transport with conduction, convection, and thermal radiation.« less

Dynamic heterogeneity in crossover spin facilitated model of supercooled liquid and fractional Stokes-Einstein relation

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

Choi, Seo-Woo; Kim, Soree; Jung, YounJoon, E-mail: yjjung@snu.ac.kr

Kinetically constrained models have gained much interest as models that assign the origins of interesting dynamic properties of supercooled liquids to dynamical facilitation mechanisms that have been revealed in many experiments and numerical simulations. In this work, we investigate the dynamic heterogeneity in the fragile-to-strong liquid via Monte Carlo method using the model that linearly interpolates between the strong liquid-like behavior and the fragile liquid-like behavior by an asymmetry parameter b. When the asymmetry parameter is sufficiently small, smooth fragile-to-strong transition is observed both in the relaxation time and the diffusion constant. Using these physical quantities, we investigate fractional Stokes-Einsteinmore » relations observed in this model. When b is fixed, the system shows constant power law exponent under the temperature change, and the exponent has the value between that of the Frederickson-Andersen model and the East model. Furthermore, we investigate the dynamic length scale of our systems and also find the crossover relation between the relaxation time. We ascribe the competition between energetically favored symmetric relaxation mechanism and entropically favored asymmetric relaxation mechanism to the fragile-to-strong crossover behavior.« less

Kinetic modeling of ion conduction in KcsA potassium channel.

PubMed

Mafé, Salvador; Pellicer, Julio; Cervera, Javier

2005-05-22

KcsA constitutes a potassium channel of known structure that shows both high conduction rates and selectivity among monovalent cations. A kinetic model for ion conduction through this channel that assumes rapid ion transport within the filter has recently been presented by Nelson. In a recent, brief communication, we used the model to provide preliminary explanations to the experimental current-voltage J-V and conductance-concentration g-S curves obtained for a series of monovalent ions (K(+),Tl(+), and Rb(+)). We did not assume rapid ion transport in the calculations, since ion transport within the selectivity filter could be rate limiting for ions other than native K(+). This previous work is now significantly extended to the following experimental problems. First, the outward rectification of the J-V curves in K(+) symmetrical solutions is analyzed using a generalized kinetic model. Second, the J-V and g-S curves for NH(4) (+) are obtained and compared with those of other ions (the NH(4) (+) J-V curve is qualitatively different from those of Rb(+) and Tl(+)). Third, the effects of Na(+) block on K(+) and Rb(+) currents through single KcsA channels are studied and the different blocking behavior is related to the values of the translocation rate constants characteristic of ion transport within the filter. Finally, the significantly decreased K(+) conductance caused by mutation of the wild-type channel is also explained in terms of this rate constant. In order to keep the number of model parameters to a minimum, we do not allow the electrical distance (an empirical parameter of kinetic models that controls the exponential voltage dependence of the dissociation rate) to vary with the ionic species. Without introducing the relatively high number of adjustable parameters of more comprehensive site-based models, we show that ion association to the filter is rate controlling at low concentrations, but ion dissociation from the filter and ion transport within the filter could limit conduction at high concentration. Although some experimental data from other authors were included to allow qualitative comparison with model calculations, the absolute values of the effective rate constants obtained are only tentative. However, the relative changes in these constants needed to explain qualitatively the experiments should be of significance.

Relative sensitivities of DCE-MRI pharmacokinetic parameters to arterial input function (AIF) scaling

NASA Astrophysics Data System (ADS)

Li, Xin; Cai, Yu; Moloney, Brendan; Chen, Yiyi; Huang, Wei; Woods, Mark; Coakley, Fergus V.; Rooney, William D.; Garzotto, Mark G.; Springer, Charles S.

2016-08-01

Dynamic-Contrast-Enhanced Magnetic Resonance Imaging (DCE-MRI) has been used widely for clinical applications. Pharmacokinetic modeling of DCE-MRI data that extracts quantitative contrast reagent/tissue-specific model parameters is the most investigated method. One of the primary challenges in pharmacokinetic analysis of DCE-MRI data is accurate and reliable measurement of the arterial input function (AIF), which is the driving force behind all pharmacokinetics. Because of effects such as inflow and partial volume averaging, AIF measured from individual arteries sometimes require amplitude scaling for better representation of the blood contrast reagent (CR) concentration time-courses. Empirical approaches like blinded AIF estimation or reference tissue AIF derivation can be useful and practical, especially when there is no clearly visible blood vessel within the imaging field-of-view (FOV). Similarly, these approaches generally also require magnitude scaling of the derived AIF time-courses. Since the AIF varies among individuals even with the same CR injection protocol and the perfect scaling factor for reconstructing the ground truth AIF often remains unknown, variations in estimated pharmacokinetic parameters due to varying AIF scaling factors are of special interest. In this work, using simulated and real prostate cancer DCE-MRI data, we examined parameter variations associated with AIF scaling. Our results show that, for both the fast-exchange-limit (FXL) Tofts model and the water exchange sensitized fast-exchange-regime (FXR) model, the commonly fitted CR transfer constant (Ktrans) and the extravascular, extracellular volume fraction (ve) scale nearly proportionally with the AIF, whereas the FXR-specific unidirectional cellular water efflux rate constant, kio, and the CR intravasation rate constant, kep, are both AIF scaling insensitive. This indicates that, for DCE-MRI of prostate cancer and possibly other cancers, kio and kep may be more suitable imaging biomarkers for cross-platform, multicenter applications. Data from our limited study cohort show that kio correlates with Gleason scores, suggesting that it may be a useful biomarker for prostate cancer disease progression monitoring.

Cosmologies with varying speed of light: kinematic tests

NASA Astrophysics Data System (ADS)

Câmara, C. S.; Carvalho, J. C.; de Garcia Maia, M. R.

2003-08-01

In the last few years, there have appeared in the literature several models with variation of the fundamental constants of Nature, such as the speed of light (c), the elementary electric charge (e) and the Planck constant (h). The two main motivations for such interest are: (i) observations related to quasars that seem to indicate the fine structure constant is changing with time and (ii) the possibility that these models may solve some long standing problems of the standard cosmological model, without the need for inflation. In the present work, we obtain the expressions for lookback time, age of the universe, luminosity distance, angular diameter, and galaxy number counts versus redshift for the cosmological models with a power law dependence of the speed of light on the scale factor and the Hubble parameter. The Lorentz invariance and the principle of the general covariance are violated and the gravitational field equations have the same form as Einstein field equations with cosmological constant in a preferred reference frame postulated by the theory. We analyse the closed, open and flat Friedmann-Robertson-Walker (FRW) geometries. We have also obtained the limits imposed by the kinematic tests for the exponents m and n of the power laws of these models.

QSPR prediction of the hydroxyl radical rate constant of water contaminants.

PubMed

Borhani, Tohid Nejad Ghaffar; Saniedanesh, Mohammadhossein; Bagheri, Mehdi; Lim, Jeng Shiun

2016-07-01

In advanced oxidation processes (AOPs), the aqueous hydroxyl radical (HO) acts as a strong oxidant to react with organic contaminants. The hydroxyl radical rate constant (kHO) is important for evaluating and modelling of the AOPs. In this study, quantitative structure-property relationship (QSPR) method is applied to model the hydroxyl radical rate constant for a diverse dataset of 457 water contaminants from 27 various chemical classes. The constricted binary particle swarm optimization and multiple-linear regression (BPSO-MLR) are used to obtain the best model with eight theoretical descriptors. An optimized feed forward neural network (FFNN) is developed to investigate the complex performance of the selected molecular parameters with kHO. Although the FFNN prediction results are more accurate than those obtained using BPSO-MLR, the application of the latter is much more convenient. Various internal and external validation techniques indicate that the obtained models could predict the logarithmic hydroxyl radical rate constants of a large number of water contaminants with less than 4% absolute relative error. Finally, the above-mentioned proposed models are compared to those reported earlier and the structural factors contributing to the AOP degradation efficiency are discussed. Copyright © 2016 Elsevier Ltd. All rights reserved.

A square-force cohesion model and its extraction from bulk measurements

NASA Astrophysics Data System (ADS)

Liu, Peiyuan; Lamarche, Casey; Kellogg, Kevin; Hrenya, Christine

2017-11-01

Cohesive particles remain poorly understood, with order of magnitude differences exhibited for prior, physical predictions of agglomerate size. A major obstacle lies in the absence of robust models of particle-particle cohesion, thereby precluding accurate prediction of the behavior of cohesive particles. Rigorous cohesion models commonly contain parameters related to surface roughness, to which cohesion shows extreme sensitivity. However, both roughness measurement and its distillation into these model parameters are challenging. Accordingly, we propose a ``square-force'' model, where cohesive force remains constant until a cut-off separation. Via DEM simulations, we demonstrate validity of the square-force model as surrogate of more rigorous models, when its two parameters are selected to match the two key quantities governing dense and dilute granular flows, namely maximum cohesive force and critical cohesive energy, respectively. Perhaps more importantly, we establish a method to extract the parameters in the square-force model via defluidization, due to its ability to isolate the effects of the two parameters. Thus, instead of relying on complicated scans of individual grains, determination of particle-particle cohesion from simple bulk measurements becomes feasible. Dow Corning Corporation.

Hierarchical Freezing in a Lattice Model

NASA Astrophysics Data System (ADS)

Byington, Travis W.; Socolar, Joshua E. S.

2012-01-01

A certain two-dimensional lattice model with nearest and next-nearest neighbor interactions is known to have a limit-periodic ground state. We show that during a slow quench from the high temperature, disordered phase, the ground state emerges through an infinite sequence of phase transitions. We define appropriate order parameters and show that the transitions are related by renormalizations of the temperature scale. As the temperature is decreased, sublattices with increasingly large lattice constants become ordered. A rapid quench results in a glasslike state due to kinetic barriers created by simultaneous freezing on sublattices with different lattice constants.

Modeling individual effects in the Cormack-Jolly-Seber Model: A state-space formulation

USGS Publications Warehouse

Royle, J. Andrew

2008-01-01

In population and evolutionary biology, there exists considerable interest in individual heterogeneity in parameters of demographic models for open populations. However, flexible and practical solutions to the development of such models have proven to be elusive. In this article, I provide a state-space formulation of open population capture-recapture models with individual effects. The state-space formulation provides a generic and flexible framework for modeling and inference in models with individual effects, and it yields a practical means of estimation in these complex problems via contemporary methods of Markov chain Monte Carlo. A straightforward implementation can be achieved in the software package WinBUGS. I provide an analysis of a simple model with constant parameter detection and survival probability parameters. A second example is based on data from a 7-year study of European dippers, in which a model with year and individual effects is fitted.

Study of charged stellar structures in f(R, T) gravity

NASA Astrophysics Data System (ADS)

Sharif, M.; Siddiqa, Aisha

2017-12-01

This paper explores charged stellar structures whose pressure and density are related through polytropic equation of state ( p=ωρ^{σ}; ω is polytropic constant, p is pressure, ρ denotes density and σ is polytropic exponent) in the scenario of f(R,T) gravity (where R is the Ricci scalar and T is the trace of energy-momentum tensor). The Einstein-Maxwell field equations are solved together with the hydrostatic equilibrium equation for f(R,T)=R+2λ T where λ is the coupling constant, also called model parameter. We discuss different features of such configurations (like pressure, mass and charge) using graphical behavior for two values of σ. It is found that the effects of model parameter λ on different quantities remain the same for both cases. The energy conditions are satisfied and stellar configurations are stable in each case.

A Relation between the Mid-Infrared [Ne v] 14.3 Micrometers and [Ne III] 15.6 Micrometer Lines in Active Galactic Nuclei

NASA Technical Reports Server (NTRS)

Gorjian, V.; Cleary, K.; Werner, M. W.; Lawrence, C. R.

2007-01-01

We present a strong correlation between the [Ne v] 14.3 mm and [Ne III] 15.6 mm emission lines arising from the narrow-line regions (NLRs) of active galactic nuclei (AGNs), spanning 4 orders of magnitude in luminosity. The data are compiled primarily from Spitzer Space Telescope observations of nearby Seyfert galaxies (median z p 0.01) and 3C radio sources (median z p 0.52). This correlation is consistent with earlier studies in the optical/UV bands showing that line ratios arising in the NLRs are remarkably constant across AGNs. We also show that the correlation allows only a very narrow range in ionization parameter for simple photoionization models. The observed correlation will place tight constraints on alternative models, which predict constant line ratios over a broader range in ionization parameter.

Effect of modulated ultrasound parameters on ultrasound-induced thrombolysis.

PubMed

Soltani, Azita; Volz, Kim R; Hansmann, Doulas R

2008-12-07

The potential of ultrasound to enhance enzyme-mediated thrombolysis by application of constant operating parameters (COP) has been widely demonstrated. In this study, the effect of ultrasound with modulated operating parameters (MOP) on enzyme-mediated thrombolysis was investigated. The MOP protocol was applied to an in vitro model of thrombolysis. The results were compared to a COP with the equivalent soft tissue thermal index (TIS) over the duration of ultrasound exposure of 30 min (p < 0.14). To explore potential differences in the mechanism responsible for ultrasound-induced thrombolysis, a perfusion model was used to measure changes in average fibrin pore size of clot before, after and during exposure to MOP and COP protocols and cavitational activity was monitored in real time for both protocols using a passive cavitation detection system. The relative lysis enhancement by each COP and MOP protocol compared to alteplase alone yielded values of 33.69 +/- 12.09% and 63.89 +/- 15.02% in a thrombolysis model, respectively (p < 0.007). Both COP and MOP protocols caused an equivalent significant increase in average clot pore size of 2.09 x 10(-2) +/- 0.01 microm and 1.99 x 10(-2) +/- 0.004 microm, respectively (p < 0.74). No signatures of inertial or stable cavitation were observed for either acoustic protocol. In conclusion, due to mechanisms other than cavitation, application of ultrasound with modulated operating parameters has the potential to significantly enhance the relative lysis enhancement compared to application of ultrasound with constant operating parameters.

Partitioning into hazard subregions for regional peaks-over-threshold modeling of heavy precipitation

NASA Astrophysics Data System (ADS)

Carreau, J.; Naveau, P.; Neppel, L.

2017-05-01

The French Mediterranean is subject to intense precipitation events occurring mostly in autumn. These can potentially cause flash floods, the main natural danger in the area. The distribution of these events follows specific spatial patterns, i.e., some sites are more likely to be affected than others. The peaks-over-threshold approach consists in modeling extremes, such as heavy precipitation, by the generalized Pareto (GP) distribution. The shape parameter of the GP controls the probability of extreme events and can be related to the hazard level of a given site. When interpolating across a region, the shape parameter should reproduce the observed spatial patterns of the probability of heavy precipitation. However, the shape parameter estimators have high uncertainty which might hide the underlying spatial variability. As a compromise, we choose to let the shape parameter vary in a moderate fashion. More precisely, we assume that the region of interest can be partitioned into subregions with constant hazard level. We formalize the model as a conditional mixture of GP distributions. We develop a two-step inference strategy based on probability weighted moments and put forward a cross-validation procedure to select the number of subregions. A synthetic data study reveals that the inference strategy is consistent and not very sensitive to the selected number of subregions. An application on daily precipitation data from the French Mediterranean shows that the conditional mixture of GPs outperforms two interpolation approaches (with constant or smoothly varying shape parameter).

Generalized rules for the optimization of elastic network models

NASA Astrophysics Data System (ADS)

Lezon, Timothy; Eyal, Eran; Bahar, Ivet

2009-03-01

Elastic network models (ENMs) are widely employed for approximating the coarse-grained equilibrium dynamics of proteins using only a few parameters. An area of current focus is improving the predictive accuracy of ENMs by fine-tuning their force constants to fit specific systems. Here we introduce a set of general rules for assigning ENM force constants to residue pairs. Using a novel method, we construct ENMs that optimally reproduce experimental residue covariances from NMR models of 68 proteins. We analyze the optimal interactions in terms of amino acid types, pair distances and local protein structures to identify key factors in determining the effective spring constants. When applied to several unrelated globular proteins, our method shows an improved correlation with experiment over a standard ENM. We discuss the physical interpretation of our findings as well as its implications in the fields of protein folding and dynamics.

Spin foam propagator: A new perspective to include the cosmological constant

NASA Astrophysics Data System (ADS)

Han, Muxin; Huang, Zichang; Zipfel, Antonia

2018-04-01

In recent years, the calculation of the first nonvanishing order of the metric 2-point function or graviton propagator in a semiclassical limit has evolved as a standard test for the credibility of a proposed spin foam model. The existing results of spin foam graviton propagators rely heavily on the so-called double scaling limit where spins j are large and the Barbero-Immirzi parameter γ is small such that the area A ∝j γ is approximately constant. However, it seems that this double scaling limit is bound to break down in models including a cosmological constant. We explore this in detail for the recently proposed model [7 H. M. Haggard, M. Han, W. Kaminski, and A. Riello, Nucl. Phys. B900, 1 (2015), 10.1016/j.nuclphysb.2015.08.023.] by Haggard, Han, Kaminski, and Riello and discuss alternative definitions of a graviton propagator, in which the double scaling limit can be avoided.

Constraining cosmologies with fundamental constants - I. Quintessence and K-essence

NASA Astrophysics Data System (ADS)

Thompson, Rodger I.; Martins, C. J. A. P.; Vielzeuf, P. E.

2013-01-01

Many cosmological models invoke rolling scalar fields to account for the observed acceleration of the expansion of the Universe. These theories generally include a potential V(φ) which is a function of the scalar field φ. Although V(φ) can be represented by a very diverse set of functions, recent work has shown that under some conditions, such as the slow-roll conditions, the equation of state parameter w is either independent of the form of V(φ) or part of family of solutions with only a few parameters. In realistic models of this type the scalar field couples to other sectors of the model leading to possibly observable changes in the fundamental constants such as the fine structure constant α and the proton to electron mass ratio μ. Although the current situation on a possible variance of α is complicated, there are firm limitations on the variance of μ in the early universe. This paper explores the limits this puts on the validity of various cosmologies that invoke rolling scalar fields. We find that the limit on the variation of μ puts significant constraints on the product of a cosmological parameter w + 1 and a new physics parameter ζ2μ, the coupling constant between μ and the rolling scalar field. Even when the cosmologies are restricted to very slow roll conditions either the value of ζμ must be at the lower end of or less than its expected values or the value of w + 1 must be restricted to values vanishingly close to 0. This implies that either the rolling scalar field is very weakly coupled to the electromagnetic field, small ζμ, very weakly coupled to gravity, (w + 1) ≈ 0 or both. These results stress that adherence to the measured invariance in μ is a very significant test of the validity of any proposed cosmology and any new physics it requires. The limits on the variation of μ also produces a significant tension with the reported changes in the value of α.

Searching for Constraints on Starobinsky's Model with a Disappearing Cosmological Constant on Galaxy Cluster Scales

NASA Astrophysics Data System (ADS)

Alexeyev, S. O.; Latosh, B. N.; Echeistov, V. A.

2017-12-01

Predictions of the f( R)-gravity model with a disappearing cosmological constant (Starobinsky's model) on scales characteristic of galaxies and their clusters are considered. The absence of a difference in the mass dependence of the turnaround radius between Starobinsky's model and General Relativity accessible to observation at the current accuracy of measurements has been established. This is true both for small masses (from 109 M Sun) corresponding to an individual galaxy and for masses corresponding to large galaxy clusters (up to 1015 M Sun). The turnaround radius increases with parameter n for all masses. Despite the fact that some models give a considerably smaller turnaround radius than does General Relativity, none of the models goes beyond the bounds specified by the observational data.

The mathematical formulation of a generalized Hooke's law for blood vessels.

PubMed

Zhang, Wei; Wang, Chong; Kassab, Ghassan S

2007-08-01

It is well known that the stress-strain relationship of blood vessels is highly nonlinear. To linearize the relationship, the Hencky strain tensor is generalized to a logarithmic-exponential (log-exp) strain tensor to absorb the nonlinearity. A quadratic nominal strain potential is proposed to derive the second Piola-Kirchhoff stresses by differentiating the potential with respect to the log-exp strains. The resulting constitutive equation is a generalized Hooke's law. Ten material constants are needed for the three-dimensional orthotropic model. The nondimensional constant used in the log-exp strain definition is interpreted as a nonlinearity parameter. The other nine constants are the elastic moduli with respect to the log-exp strains. In this paper, the proposed linear stress-strain relation is shown to represent the pseudoelastic Fung model very well.

Theoretical research on the spin-Hamiltonian parameters of the rhombic W5+ centers in CaWO4:Y3+ crystal

NASA Astrophysics Data System (ADS)

Mei, Yang; Wei, Cheng-Fu; Zheng, Wen-Chen

2016-02-01

Detailed theoretical calculations for the spin-Hamiltonian parameters (g factors gi and hyperfine structure constants Ai, where i=x, y, z) of the rhombic W5+ center in CaWO4:Y3+ crystal are performed by using the high-order perturbation formulas for d1 ions in rhombic tetrahedral clusters with the ground state |dz2>. These formulas consist of the contributions from two mechanisms, the crystal-field (CF) mechanism connected with CF excited states in the vastly-used CF theory and the frequently-neglected charge-transfer (CT) mechanism related to CT excited states. The calculated results agree well with the experimental values. The calculations indicate that for W5+ ion (or other high valence state dn ions) in crystals, the model calculations of spin-Hamiltonian parameters should take both the CF and CT mechanisms into account. The signs of hyperfine structure constants Ai are suggested and the forming (or defect model) of rhombic W5+ center in CaWO4:Y3+ crystal is confirmed from the calculations.

Basal glycogenolysis in mouse skeletal muscle: in vitro model predicts in vivo fluxes

NASA Technical Reports Server (NTRS)

Lambeth, Melissa J.; Kushmerick, Martin J.; Marcinek, David J.; Conley, Kevin E.

2002-01-01

A previously published mammalian kinetic model of skeletal muscle glycogenolysis, consisting of literature in vitro parameters, was modified by substituting mouse specific Vmax values. The model demonstrates that glycogen breakdown to lactate is under ATPase control. Our criteria to test whether in vitro parameters could reproduce in vivo dynamics was the ability of the model to fit phosphocreatine (PCr) and inorganic phosphate (Pi) dynamic NMR data from ischemic basal mouse hindlimbs and predict biochemically-assayed lactate concentrations. Fitting was accomplished by optimizing four parameters--the ATPase rate coefficient, fraction of activated glycogen phosphorylase, and the equilibrium constants of creatine kinase and adenylate kinase (due to the absence of pH in the model). The optimized parameter values were physiologically reasonable, the resultant model fit the [PCr] and [Pi] timecourses well, and the model predicted the final measured lactate concentration. This result demonstrates that additional features of in vivo enzyme binding are not necessary for quantitative description of glycogenolytic dynamics.

Star formation in the multiverse

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

Bousso, Raphael; Leichenauer, Stefan

2009-03-15

We develop a simple semianalytic model of the star formation rate as a function of time. We estimate the star formation rate for a wide range of values of the cosmological constant, spatial curvature, and primordial density contrast. Our model can predict such parameters in the multiverse, if the underlying theory landscape and the cosmological measure are known.

Using Scatterplots to Teach the Critical Power Concept

ERIC Educational Resources Information Center

Pettitt, Robert W.

2012-01-01

The critical power (CP) concept has received renewed attention and excitement in the academic community. The CP concept was originally conceived as a model derived from a series of exhaustive, constant-load, exercise bouts. All-out exercise testing has made quantification of the parameters for the two-component model easier to arrive at, which may…

Scalar field cosmology in f(R,T) gravity via Noether symmetry

NASA Astrophysics Data System (ADS)

Sharif, M.; Nawazish, Iqra

2018-04-01

This paper investigates the existence of Noether symmetries of isotropic universe model in f(R,T) gravity admitting minimal coupling of matter and scalar fields. The scalar field incorporates two dark energy models such as quintessence and phantom models. We determine symmetry generators and corresponding conserved quantities for two particular f(R,T) models. We also evaluate exact solutions and investigate their physical behavior via different cosmological parameters. For the first model, the graphical behavior of these parameters indicate consistency with recent observations representing accelerated expansion of the universe. For the second model, these parameters identify a transition form accelerated to decelerated expansion of the universe. The potential function is found to be constant for the first model while it becomes V(φ )≈ φ 2 for the second model. We conclude that the Noether symmetry generators and corresponding conserved quantities appear in all cases.

Dielectric elastomer for stretchable sensors: influence of the design and material properties

NASA Astrophysics Data System (ADS)

Jean-Mistral, C.; Iglesias, S.; Pruvost, S.; Duchet-Rumeau, J.; Chesné, S.

2016-04-01

Dielectric elastomers exhibit extended capabilities as flexible sensors for the detection of load distributions, pressure or huge deformations. Tracking the human movements of the fingers or the arms could be useful for the reconstruction of sporting gesture, or to control a human-like robot. Proposing new measurements methods are addressed in a number of publications leading to improving the sensitivity and accuracy of the sensing method. Generally, the associated modelling remains simple (RC or RC transmission line). The material parameters are considered constant or having a negligible effect which can lead to serious reduction of accuracy. Comparisons between measurements and modelling require care and skill, and could be tricky. Thus, we propose here a comprehensive modelling, taking into account the influence of the material properties on the performances of the dielectric elastomer sensor (DES). Various parameters influencing the characteristics of the sensors have been identified: dielectric constant, hyper-elasticity. The variations of these parameters as a function of the strain impact the linearity and sensitivity of the sensor of few percent. The sensitivity of the DES is also evaluated changing geometrical parameters (initial thickness) and its design (rectangular and dog-bone shapes). We discuss the impact of the shape regarding stress. Finally, DES including a silicone elastomer sandwiched between two high conductive stretchable electrodes, were manufactured and investigated. Classic and reliable LCR measurements are detailed. Experimental results validate our numerical model of large strain sensor (>50%).

Model of Energy Spectrum Parameters of Ground Level Enhancement Events in Solar Cycle 23

NASA Astrophysics Data System (ADS)

Wu, S.-S.; Qin, G.

2018-01-01

Mewaldt et al. (2012) fitted the observations of the ground level enhancement (GLE) events during solar cycle 23 to the double power law equation to obtain the four spectral parameters, the normalization constant C, low-energy power law slope γ1, high-energy power law slope γ2, and break energy E0. There are 16 GLEs from which we select 13 for study by excluding some events with complicated situation. We analyze the four parameters with conditions of the corresponding solar events. According to solar event conditions, we divide the GLEs into two groups, one with strong acceleration by interplanetary shocks and another one without strong acceleration. By fitting the four parameters with solar event conditions we obtain models of the parameters for the two groups of GLEs separately. Therefore, we establish a model of energy spectrum of solar cycle 23 GLEs, which may be used in prediction in the future.

[Mathematic modeling and experimental validation of macrostate quality expression for multicomponent in Chinese materia medica].

PubMed

He, Fuyuan; Deng, Kaiwen; Shi, Jilian; Liu, Wenlong; Pi, Fengjuan

2011-11-01

To establish the unitive multicomponent quality system bridged macrostate mathematic model parameters of material quality and microstate component concentration for Chinese materia medica (CMM). According to law of biologic laws of thermodynamics, the state functions of macrostate qulity of the CMM were established. The validation test was carried out as modeling drug as alcohol extract of Radix Rhozome (AERR), their enthalpy of combustion was determined, and entropy and the capability of information by chromatographic fingerprint were assayed, and then the biologic apparent macrostate parameters were calculated. The biologic macrostate mathematic models, for the CMM quality controll, were established as parameters as the apparent equilibrium constant, biologic enthalpy, Gibbs free energy and biologic entropy etc. The total molarity for the 10 batchs of AERR were 0.153 4 mmol x g(-1) with 28.26% of RSD, with the average of apparent equilibrium constants, biologic enthalpy, Gibbs free energy and biologic entropy were 0.039 65, 8 005 J x mol(-1), -2.408 x 10(7) J x mol(-1) and - 8.078 x 10(4) J x K(-1) with RSD as 6.020%, 1.860%, 42.32% and 42.31%, respectively. The macrostate quality models for CMM can represent their intrinsic quality for multicomponent dynamic system such as the CMM, to manifest out as if the forest away from or tree near from to see it.

A weighted least squares estimation of the polynomial regression model on paddy production in the area of Kedah and Perlis

NASA Astrophysics Data System (ADS)

Musa, Rosliza; Ali, Zalila; Baharum, Adam; Nor, Norlida Mohd

2017-08-01

The linear regression model assumes that all random error components are identically and independently distributed with constant variance. Hence, each data point provides equally precise information about the deterministic part of the total variation. In other words, the standard deviations of the error terms are constant over all values of the predictor variables. When the assumption of constant variance is violated, the ordinary least squares estimator of regression coefficient lost its property of minimum variance in the class of linear and unbiased estimators. Weighted least squares estimation are often used to maximize the efficiency of parameter estimation. A procedure that treats all of the data equally would give less precisely measured points more influence than they should have and would give highly precise points too little influence. Optimizing the weighted fitting criterion to find the parameter estimates allows the weights to determine the contribution of each observation to the final parameter estimates. This study used polynomial model with weighted least squares estimation to investigate paddy production of different paddy lots based on paddy cultivation characteristics and environmental characteristics in the area of Kedah and Perlis. The results indicated that factors affecting paddy production are mixture fertilizer application cycle, average temperature, the squared effect of average rainfall, the squared effect of pest and disease, the interaction between acreage with amount of mixture fertilizer, the interaction between paddy variety and NPK fertilizer application cycle and the interaction between pest and disease and NPK fertilizer application cycle.

Influence of the piezoelectric parameters on the dynamics of an active rotor

NASA Astrophysics Data System (ADS)

Gawryluk, Jarosław; Mitura, Andrzej; Teter, Andrzej

2018-01-01

The main aim of this paper is an experimental and numerical analysis of the dynamic behavior of an active rotor with three composite blades. The study focuses on developing an effective FE modeling technique of a macro fiber composite element (denoted as MFC or active element) for the dynamic tests of active structures. The active rotor under consideration consists of a hub with a drive shaft, three grips and three glass-epoxy laminate blades with embedded active elements. A simplified FE model of the macro fiber composite element exhibiting the d33 piezoelectric effect is developed using the Abaqus software package. The discussed transducer is modeled as quasi-homogeneous piezoelectric material, and voltage is applied to the opposite faces of the element. In this case, the effective (equivalent) piezoelectric constant d33* is specified. Both static and dynamic tests are performed to verify the proposed model. First, static deflections of the active blade caused by the voltage signal are determined by numerical and experimental analyses. Next, a numerical modal analysis of the active rotor is performed. The eigenmodes and corresponding eigenfrequencies are determined by the Lanczos method. The influence of the model parameters (i.e., the effective piezoelectric constant d33 *, voltage signal, angular velocity) on the dynamics of the active rotor is examined. Finally, selected numerical results are validated in experimental tests. The experimental findings demonstrate that the structural stiffening effect caused by the active element strongly depends on the value of the effective piezoelectric constant.

A Universe without Weak Interactions

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

Harnik, Roni; Kribs, Graham D.; Perez, Gilad

2006-04-07

A universe without weak interactions is constructed that undergoes big-bang nucleosynthesis, matter domination, structure formation, and star formation. The stars in this universe are able to burn for billions of years, synthesize elements up to iron, and undergo supernova explosions, dispersing heavy elements into the interstellar medium. These definitive claims are supported by a detailed analysis where this hypothetical ''Weakless Universe'' is matched to our Universe by simultaneously adjusting Standard Model and cosmological parameters. For instance, chemistry and nuclear physics are essentially unchanged. The apparent habitability of the Weakless Universe suggests that the anthropic principle does not determine the scalemore » of electroweak breaking, or even require that it be smaller than the Planck scale, so long as technically natural parameters may be suitably adjusted. Whether the multi-parameter adjustment is realized or probable is dependent on the ultraviolet completion, such as the string landscape. Considering a similar analysis for the cosmological constant, however, we argue that no adjustments of other parameters are able to allow the cosmological constant to raise up even remotely close to the Planck scale while obtaining macroscopic structure. The fine-tuning problems associated with the electroweak breaking scale and the cosmological constant therefore appear to be qualitatively different from the perspective of obtaining a habitable universe.« less

Sorption kinetics of diuron on volcanic ash derived soils.

PubMed

Cáceres-Jensen, Lizethly; Rodríguez-Becerra, Jorge; Parra-Rivero, Joselyn; Escudey, Mauricio; Barrientos, Lorena; Castro-Castillo, Vicente

2013-10-15

Diuron sorption kinetic was studied in Andisols, Inceptisol and Ultisols soils in view of their distinctive physical and chemical properties: acidic pH and variable surface charge. Two types of kinetic models were used to fit the experimental dates: those that allow to establish principal kinetic parameters and modeling of sorption process (pseudo-first-order, pseudo-second-order), and some ones frequently used to describe solute transport mechanisms of organic compounds on different sorbents intended for remediation purposes (Elovich equation, intraparticle diffusion, Boyd, and two-site nonequilibrium models). The best fit was obtained with the pseudo-second-order model. The rate constant and the initial rate constant values obtained through this model demonstrated the behavior of Diuron in each soil, in Andisols were observed the highest values for both parameters. The application of the models to describe solute transport mechanisms allowed establishing that in all soils the mass transfer controls the sorption kinetic across the boundary layer and intraparticle diffusion into macropores and micropores. The slowest sorption rate was observed on Ultisols, behavior which must be taken into account when the leaching potential of Diuron is considered. Copyright © 2013 Elsevier B.V. All rights reserved.

A model for the relative biological effectiveness of protons: the tissue specific parameter α/β of photons is a predictor for the sensitivity to LET changes.

PubMed

Wedenberg, Minna; Lind, Bengt K; Hårdemark, Björn

2013-04-01

The biological effects of particles are often expressed in relation to that of photons through the concept of relative biological effectiveness, RBE. In proton radiotherapy, a constant RBE of 1.1 is usually assumed. However, there is experimental evidence that RBE depends on various factors. The aim of this study is to develop a model to predict the RBE based on linear energy transfer (LET), dose, and the tissue specific parameter α/β of the linear-quadratic model for the reference radiation. Moreover, the model should capture the basic features of the RBE using a minimum of assumptions, each supported by experimental data. The α and β parameters for protons were studied with respect to their dependence on LET. An RBE model was proposed where the dependence of LET is affected by the (α/β)phot ratio of photons. Published cell survival data with a range of well-defined LETs and cell types were selected for model evaluation rendering a total of 10 cell lines and 24 RBE values. A statistically significant relation was found between α for protons and LET. Moreover, the strength of that relation varied significantly with (α/β)phot. In contrast, no significant relation between β and LET was found. On the whole, the resulting RBE model provided a significantly improved fit (p-value < 0.01) to the experimental data compared to the standard constant RBE. By accounting for the α/β ratio of photons, clearer trends between RBE and LET of protons were found, and our results suggest that late responding tissues are more sensitive to LET changes than early responding tissues and most tumors. An advantage with the proposed RBE model in optimization and evaluation of treatment plans is that it only requires dose, LET, and (α/β)phot as input parameters. Hence, no proton specific biological parameters are needed.

Improved thermodynamic model for interaction of EDTA with trivalent actinides and lanthanide to ionic strength of 6.60 m

NASA Astrophysics Data System (ADS)

Thakur, Punam; Xiong, Yongliang; Borkowski, Marian; Choppin, Gregory R.

2014-05-01

The dissociation constants of ethylenediaminetetraacetic acid (H4EDTA), and the stability constants of Am3+, Cm3+and Eu3+ with EDTA4- have been determined at 25 °C, over a range of concentration varying from 0.1 to 6.60 m NaClO4 using potentiometric titration and an extraction technique, respectively. The formation of only 1:1 complex, M(EDTA)-, where (M = Am3+, Cm3+ and Eu3+), was observed under the experimental conditions. The observed ionic strength dependencies of the dissociation constants and the stability constants have been described successfully over the entire ionic strength range using the Pitzer model. The thermodynamic stability constant: logβ1010=20.55±0.18 for Am3+, logβ1010=20.43±0.20 for Cm3+ and logβ1010=20.65±0.19 for Eu3+ were calculated by extrapolation of data to zero ionic strength in an NaClO4 medium. In addition, logβ1010 of 20.05 ± 0.40 for Am3+ was obtained by simultaneously modeling data both in NaCl and NaClO4 media. For all stability constants, the Pitzer model gives an excellent representation of the data using interaction parameters β(0), β(1), and Cϕ determined in this work. The improved model presented in this work would enable researchers to model accurately the potential mobility of actinides (III) and light rare earth elements to ionic strength of 6.60 m in low temperature environments in the presence of EDTA.

Comparison between the Logotropic and ΛCDM models at the cosmological scale

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

Chavanis, Pierre-Henri; Kumar, Suresh, E-mail: chavanis@irsamc.ups-tlse.fr, E-mail: suresh.kumar@pilani.bits-pilani.ac.in

We perform a detailed comparison between the Logotropic model [P.H. Chavanis, Eur. Phys. J. Plus, 130 (2015)] and the ΛCDM model. These two models behave similarly at large (cosmological) scales up to the present. Differences will appear only in the far future, in about 25 Gyrs, when the Logotropic Universe becomes phantom while the ΛCDM Universe enters in the de Sitter era. However, the Logotropic model differs from the ΛCDM model at small (galactic) scales, where the latter encounters serious problems. Having a nonvanishing pressure, the Logotropic model can solve the cusp problem and the missing satellite problem of themore » ΛCDM model. In addition, it leads to dark matter halos with a constant surface density Σ{sub 0}=ρ{sub 0} r {sub h} , and can explain its observed value Σ{sub 0}=141 M {sub ⊙}/pc{sup 2} without adjustable parameter. This makes the logotropic model rather unique among all the models attempting to unify dark matter and dark energy. In this paper, we compare the Logotropic and ΛCDM models at the cosmological scale where they are very close to each other in order to determine quantitatively how much they differ. This comparison is facilitated by the fact that these models depend on only two parameters, the Hubble constant H {sub 0} and the present fraction of dark matter Ω{sub m0}. Using the latest observational data from Planck 2015+Lensing+BAO+JLA+HST, we find that the best fit values of H {sub 0} and Ω{sub m0} are H {sub 0}=68.30 km s{sup −1} Mpc{sup −1} and Ω{sub m0}=0.3014 for the Logotropic model, and H {sub 0}=68.02 km s{sup −1} Mpc{sup −1} and Ω{sub m0}=0.3049 for the ΛCDM model. The difference between the two models is at the percent level. As a result, the Logotropic model competes with the ΛCDM model at large scales and solves its problems at small scales. It may therefore represent a viable alternative to the ΛCDM model. Our study provides an explicit example of a theoretically motivated model that is almost indistinguishable from the ΛCDM model at the present time while having a completely different (phantom) evolution in the future. We analytically derive the statefinders of the Logotropic model for all values of the logotropic constant B . We show that the parameter s {sub 0} is directly related to this constant since s {sub 0}=− B /( B +1) independently of any other parameter like H {sub 0} or Ω{sub m0}. For the predicted value of B =3.53× 10{sup −3}, we obtain ( q {sub 0}, r {sub 0}, s {sub 0})=(−0.5516,1.011,−0.003518) instead of ( q {sub 0}, r {sub 0}, s {sub 0})=(−0.5427,1,0) for the ΛCDM model corresponding to 0 B =.« less

Re/Os constraint on the time variability of the fine-structure constant.

PubMed

Fujii, Yasunori; Iwamoto, Akira

2003-12-31

We argue that the accuracy by which the isochron parameters of the decay 187Re-->187Os are determined by dating iron meteorites may constrain the possible time dependence of the decay rate and hence of the fine-structure constant alpha, not directly but only in a model-dependent manner. From this point of view, some of the attempts to analyze the Oklo constraint and the results of the quasistellar-object absorption lines are reexamined.

Multiple solutions in MHD flow and heat transfer of Sisko fluid containing nanoparticles migration with a convective boundary condition: Critical points

NASA Astrophysics Data System (ADS)

Dhanai, Ruchika; Rana, Puneet; Kumar, Lokendra

2016-05-01

The motivation behind the present analysis is to focus on magneto-hydrodynamic flow and heat transfer characteristics of non-Newtonian fluid (Sisko fluid) past a permeable nonlinear shrinking sheet utilizing nanoparticles involving convective boundary condition. The non-homogenous nanofluid transport model considering the effect of Brownian motion, thermophoresis, suction/injection and no nanoparticle flux at the sheet with convective boundary condition has been solved numerically by the RKF45 method with shooting technique. Critical points for various pertinent parameters are evaluated in this study. The dual solutions (both first and second solutions) are captured in certain range of material constant (nc< n < ∞) , mass transfer parameter (sc < s < ∞) and shrinking parameter (χc < χ < 0) . For both the branches (upper and lower branch), the rate of heat transfer is an increasing function of the power-law index, Prandtl number and Biot number, whereas it is a decreasing function of the material constant and thermophoresis parameter.

Crystal Growth Simulations To Establish Physically Relevant Kinetic Parameters from the Empirical Kolmogorov-Johnson-Mehl-Avrami Model

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

Dill, Eric D.; Folmer, Jacob C.W.; Martin, James D.

A series of simulations was performed to enable interpretation of the material and physical significance of the parameters defined in the Kolmogorov, Johnson and Mehl, and Avrami (KJMA) rate expression commonly used to describe phase boundary controlled reactions of condensed matter. The parameters k, n, and t 0 are shown to be highly correlated, which if unaccounted for seriously challenge mechanistic interpretation. It is demonstrated that rate measurements exhibit an intrinsic uncertainty without precise knowledge of the location and orientation of nucleation with respect to the free volume into which it grows. More significantly, it is demonstrated that the KJMAmore » rate constant k is highly dependent on sample size. However, under the simulated conditions of slow nucleation relative to crystal growth, sample volume and sample anisotropy correction affords a means to eliminate the experimental condition dependence of the KJMA rate constant, k, producing the material-specific parameter, the velocity of the phase boundary, v pb.« less

Parameter identification of a rotor supported in a pressurized bearing lubricated with water

NASA Technical Reports Server (NTRS)

Grant, John W.; Muszynska, Agnes; Bently, Donald E.

1994-01-01

A rig for testing an externally pressurized (hydrostatic), water-lubricated bearing was developed. Applying a nonsynchronous sweep frequency, rotating perturbation force with a constant amplitude as an input, rotor vibration response data was acquired in Bode and Dynamic Stiffness formats. Using this data, the parameters of the rotor/bearing system were identified. The rotor/bearing model was represented by the generalized (modal) parameters of the first lateral mode, with the rotational character of the fluid force taken into account.

Constraints on running vacuum model with H ( z ) and f σ{sub 8}

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

Geng, Chao-Qiang; Lee, Chung-Chi; Yin, Lu, E-mail: geng@phys.nthu.edu.tw, E-mail: lee.chungchi16@gmail.com, E-mail: yinlumail@foxmail.com

We examine the running vacuum model with Λ ( H ) = 3 ν H {sup 2} + Λ{sub 0}, where ν is the model parameter and Λ{sub 0} is the cosmological constant. From the data of the cosmic microwave background radiation, weak lensing and baryon acoustic oscillation along with the time dependent Hubble parameter H ( z ) and weighted linear growth f ( z )σ{sub 8}( z ) measurements, we find that ν=(1.37{sup +0.72}{sub −0.95})× 10{sup −4} with the best fitted χ{sup 2} value slightly smaller than that in the ΛCDM model.

Estimation of whole lemon mass transfer parameters during hot air drying using different modelling methods

NASA Astrophysics Data System (ADS)

Torki-Harchegani, Mehdi; Ghanbarian, Davoud; Sadeghi, Morteza

2015-08-01

To design new dryers or improve existing drying equipments, accurate values of mass transfer parameters is of great importance. In this study, an experimental and theoretical investigation of drying whole lemons was carried out. The whole lemons were dried in a convective hot air dryer at different air temperatures (50, 60 and 75 °C) and a constant air velocity (1 m s-1). In theoretical consideration, three moisture transfer models including Dincer and Dost model, Bi- G correlation approach and conventional solution of Fick's second law of diffusion were used to determine moisture transfer parameters and predict dimensionless moisture content curves. The predicted results were then compared with the experimental data and the higher degree of prediction accuracy was achieved by the Dincer and Dost model.

Stiffness and relaxation components of the exponential and logistic time constants may be used to derive a load-independent index of isovolumic pressure decay.

PubMed

Shmuylovich, Leonid; Kovács, Sándor J

2008-12-01

In current practice, empirical parameters such as the monoexponential time constant tau or the logistic model time constant tauL are used to quantitate isovolumic relaxation. Previous work indicates that tau and tauL are load dependent. A load-independent index of isovolumic pressure decline (LIIIVPD) does not exist. In this study, we derive and validate a LIIIVPD. Recently, we have derived and validated a kinematic model of isovolumic pressure decay (IVPD), where IVPD is accurately predicted by the solution to an equation of motion parameterized by stiffness (Ek), relaxation (tauc), and pressure asymptote (Pinfinity) parameters. In this study, we use this kinematic model to predict, derive, and validate the load-independent index MLIIIVPD. We predict that the plot of lumped recoil effects [Ek.(P*max-Pinfinity)] versus resistance effects [tauc.(dP/dtmin)], defined by a set of load-varying IVPD contours, where P*max is maximum pressure and dP/dtmin is the minimum first derivative of pressure, yields a linear relation with a constant (i.e., load independent) slope MLIIIVPD. To validate the load independence, we analyzed an average of 107 IVPD contours in 25 subjects (2,669 beats total) undergoing diagnostic catheterization. For the group as a whole, we found the Ek.(P*max-Pinfinity) versus tauc.(dP/dtmin) relation to be highly linear, with the average slope MLIIIVPD=1.107+/-0.044 and the average r2=0.993+/-0.006. For all subjects, MLIIIVPD was found to be linearly correlated to the subject averaged tau (r2=0.65), tauL(r2=0.50), and dP/dtmin (r2=0.63), as well as to ejection fraction (r2=0.52). We conclude that MLIIIVPD is a LIIIVPD because it is load independent and correlates with conventional IVPD parameters. Further validation of MLIIIVPD in selected pathophysiological settings is warranted.

Validating predictions of evolving porosity and permeability in carbonate reservoir rocks exposed to CO2-brine

NASA Astrophysics Data System (ADS)

Smith, M. M.; Hao, Y.; Carroll, S.

2017-12-01

Improving our ability to better forecast the extent and impact of changes in porosity and permeability due to CO2-brine-carbonate reservoir interactions should lower uncertainty in long-term geologic CO2 storage capacity estimates. We have developed a continuum-scale reactive transport model that simulates spatial and temporal changes to porosity, permeability, mineralogy, and fluid composition within carbonate rocks exposed to CO2 and brine at storage reservoir conditions. The model relies on two primary parameters to simulate brine-CO2-carbonate mineral reaction: kinetic rate constant(s), kmineral, for carbonate dissolution; and an exponential parameter, n, relating porosity change to resulting permeability. Experimental data collected from fifteen core-flooding experiments conducted on samples from the Weyburn (Saskatchewan, Canada) and Arbuckle (Kansas, USA) carbonate reservoirs were used to calibrate the reactive-transport model and constrain the useful range of k and n values. Here we present the results of our current efforts to validate this model and the use of these parameter values, by comparing predictions of extent and location of dissolution and the evolution of fluid permeability against our results from new core-flood experiments conducted on samples from the Duperow Formation (Montana, USA). Agreement between model predictions and experimental data increase our confidence that these parameter ranges need not be considered site-specific but may be applied (within reason) at various locations and reservoirs. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging.

PubMed

Dracínský, Martin; Kaminský, Jakub; Bour, Petr

2009-03-07

Relative importance of anharmonic corrections to molecular vibrational energies, nuclear magnetic resonance (NMR) chemical shifts, and J-coupling constants was assessed for a model set of methane derivatives, differently charged alanine forms, and sugar models. Molecular quartic force fields and NMR parameter derivatives were obtained quantum mechanically by a numerical differentiation. In most cases the harmonic vibrational function combined with the property second derivatives provided the largest correction of the equilibrium values, while anharmonic corrections (third and fourth energy derivatives) were found less important. The most computationally expensive off-diagonal quartic energy derivatives involving four different coordinates provided a negligible contribution. The vibrational corrections of NMR shifts were small and yielded a convincing improvement only for very accurate wave function calculations. For the indirect spin-spin coupling constants the averaging significantly improved already the equilibrium values obtained at the density functional theory level. Both first and complete second shielding derivatives were found important for the shift corrections, while for the J-coupling constants the vibrational parts were dominated by the diagonal second derivatives. The vibrational corrections were also applied to some isotopic effects, where the corrected values reasonably well reproduced the experiment, but only if a full second-order expansion of the NMR parameters was included. Contributions of individual vibrational modes for the averaging are discussed. Similar behavior was found for the methane derivatives, and for the larger and polar molecules. The vibrational averaging thus facilitates interpretation of previous experimental results and suggests that it can make future molecular structural studies more reliable. Because of the lengthy numerical differentiation required to compute the NMR parameter derivatives their analytical implementation in future quantum chemistry packages is desirable.

Graviweak Unification, Invisible Universe and Dark Energy

NASA Astrophysics Data System (ADS)

Das, C. R.; Laperashvili, L. V.; Tureanu, A.

2013-07-01

We consider a graviweak unification model with the assumption of the existence of a hidden (invisible) sector of our Universe, parallel to the visible world. This Hidden World (HW) is assumed to be a Mirror World (MW) with broken mirror parity. We start with a diffeomorphism invariant theory of a gauge field valued in a Lie algebra g, which is broken spontaneously to the direct sum of the space-time Lorentz algebra and the Yang-Mills algebra: ˜ {g} = {{su}}(2) (grav)L ⊕ {{su}}(2)L — in the ordinary world, and ˜ {g}' = {{su}}(2){' (grav)}R ⊕ {{su}}(2)'R — in the hidden world. Using an extension of the Plebanski action for general relativity, we recover the actions for gravity, SU(2) Yang-Mills and Higgs fields in both (visible and invisible) sectors of the Universe, and also the total action. After symmetry breaking, all physical constants, including the Newton's constants, cosmological constants, Yang-Mills couplings, and other parameters, are determined by a single parameter g present in the initial action, and by the Higgs VEVs. The dark energy problem of this model predicts a too large supersymmetric breaking scale (MSUSY 1010GeV), which is not within the reach of the LHC experiments.

Thermodynamic Analysis of Chemically Reacting Mixtures-Comparison of First and Second Order Models.

PubMed

Pekař, Miloslav

2018-01-01

Recently, a method based on non-equilibrium continuum thermodynamics which derives thermodynamically consistent reaction rate models together with thermodynamic constraints on their parameters was analyzed using a triangular reaction scheme. The scheme was kinetically of the first order. Here, the analysis is further developed for several first and second order schemes to gain a deeper insight into the thermodynamic consistency of rate equations and relationships between chemical thermodynamic and kinetics. It is shown that the thermodynamic constraints on the so-called proper rate coefficient are usually simple sign restrictions consistent with the supposed reaction directions. Constraints on the so-called coupling rate coefficients are more complex and weaker. This means more freedom in kinetic coupling between reaction steps in a scheme, i.e., in the kinetic effects of other reactions on the rate of some reaction in a reacting system. When compared with traditional mass-action rate equations, the method allows a reduction in the number of traditional rate constants to be evaluated from data, i.e., a reduction in the dimensionality of the parameter estimation problem. This is due to identifying relationships between mass-action rate constants (relationships which also include thermodynamic equilibrium constants) which have so far been unknown.

Automatic control of finite element models for temperature-controlled radiofrequency ablation.

PubMed

Haemmerich, Dieter; Webster, John G

2005-07-14

The finite element method (FEM) has been used to simulate cardiac and hepatic radiofrequency (RF) ablation. The FEM allows modeling of complex geometries that cannot be solved by analytical methods or finite difference models. In both hepatic and cardiac RF ablation a common control mode is temperature-controlled mode. Commercial FEM packages don't support automating temperature control. Most researchers manually control the applied power by trial and error to keep the tip temperature of the electrodes constant. We implemented a PI controller in a control program written in C++. The program checks the tip temperature after each step and controls the applied voltage to keep temperature constant. We created a closed loop system consisting of a FEM model and the software controlling the applied voltage. The control parameters for the controller were optimized using a closed loop system simulation. We present results of a temperature controlled 3-D FEM model of a RITA model 30 electrode. The control software effectively controlled applied voltage in the FEM model to obtain, and keep electrodes at target temperature of 100 degrees C. The closed loop system simulation output closely correlated with the FEM model, and allowed us to optimize control parameters. The closed loop control of the FEM model allowed us to implement temperature controlled RF ablation with minimal user input.

Bianchi Type-II String Cosmological Model with Magnetic Field in f ( R, T) Gravity

NASA Astrophysics Data System (ADS)

Sharma, N. K.; Singh, J. K.

2014-09-01

The spatially homogeneous and totally anisotropic Bianchi type-II cosmological solutions of massive strings have been investigated in the presence of the magnetic field in the framework of f( R, T) gravity proposed by Harko et al. (Phys Rev D 84:024020, 2011). With the help of special law of variation for Hubble's parameter proposed by Berman (Nuovo Cimento B 74:182, 1983) cosmological model is obtained in this theory. We consider f( R, T) model and investigate the modification R+ f( T) in Bianchi type-II cosmology with an appropriate choice of a function f( T)= μ T. We use the power law relation between average Hubble parameter H and average scale factor R to find the solution. The assumption of constant deceleration parameter leads to two models of universe, i.e. power law model and exponential model. Some physical and kinematical properties of the model are also discussed.

The best-fit universe. [cosmological models

NASA Technical Reports Server (NTRS)

Turner, Michael S.

1991-01-01

Inflation provides very strong motivation for a flat Universe, Harrison-Zel'dovich (constant-curvature) perturbations, and cold dark matter. However, there are a number of cosmological observations that conflict with the predictions of the simplest such model: one with zero cosmological constant. They include the age of the Universe, dynamical determinations of Omega, galaxy-number counts, and the apparent abundance of large-scale structure in the Universe. While the discrepancies are not yet serious enough to rule out the simplest and most well motivated model, the current data point to a best-fit model with the following parameters: Omega(sub B) approximately equal to 0.03, Omega(sub CDM) approximately equal to 0.17, Omega(sub Lambda) approximately equal to 0.8, and H(sub 0) approximately equal to 70 km/(sec x Mpc) which improves significantly the concordance with observations. While there is no good reason to expect such a value for the cosmological constant, there is no physical principle that would rule out such.

Estimation of Transport and Kinetic Parameters of Vanadium Redox Batteries Using Static Cells

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

Lee, Seong Beom; Pratt, III, Harry D.; Anderson, Travis M.

Mathematical models of Redox Flow Batteries (RFBs) can be used to analyze cell performance, optimize battery operation, and control the energy storage system efficiently. Among many other models, physics-based electrochemical models are capable of predicting internal states of the battery, such as temperature, state-of-charge, and state-of-health. In the models, estimating parameters is an important step that can study, analyze, and validate the models using experimental data. A common practice is to determine these parameters either through conducting experiments or based on the information available in the literature. However, it is not easy to investigate all proper parameters for the modelsmore » through this way, and there are occasions when important information, such as diffusion coefficients and rate constants of ions, has not been studied. Also, the parameters needed for modeling charge-discharge are not always available. In this paper, an efficient way to estimate parameters of physics-based redox battery models will be proposed. Furthermore, this paper also demonstrates that the proposed approach can study and analyze aspects of capacity loss/fade, kinetics, and transport phenomena of the RFB system.« less

Estimation of Transport and Kinetic Parameters of Vanadium Redox Batteries Using Static Cells

DOE PAGES

Lee, Seong Beom; Pratt, III, Harry D.; Anderson, Travis M.; ...

2018-03-27

Mathematical models of Redox Flow Batteries (RFBs) can be used to analyze cell performance, optimize battery operation, and control the energy storage system efficiently. Among many other models, physics-based electrochemical models are capable of predicting internal states of the battery, such as temperature, state-of-charge, and state-of-health. In the models, estimating parameters is an important step that can study, analyze, and validate the models using experimental data. A common practice is to determine these parameters either through conducting experiments or based on the information available in the literature. However, it is not easy to investigate all proper parameters for the modelsmore » through this way, and there are occasions when important information, such as diffusion coefficients and rate constants of ions, has not been studied. Also, the parameters needed for modeling charge-discharge are not always available. In this paper, an efficient way to estimate parameters of physics-based redox battery models will be proposed. Furthermore, this paper also demonstrates that the proposed approach can study and analyze aspects of capacity loss/fade, kinetics, and transport phenomena of the RFB system.« less

The varying cosmological constant: a new approximation to the Friedmann equations and universe model

NASA Astrophysics Data System (ADS)

Öztaş, Ahmet M.; Dil, Emre; Smith, Michael L.

2018-05-01

We investigate the time-dependent nature of the cosmological constant, Λ, of the Einstein Field Equation (EFE). Beginning with the Einstein-Hilbert action as our fundamental principle we develop a modified version of the EFE allowing the value of Λ to vary as a function of time, Λ(t), indirectly, for an expanding universe. We follow the evolving Λ presuming four-dimensional space-time and a flat universe geometry and present derivations of Λ(t) as functions of the Hubble constant, matter density, and volume changes which can be traced back to the radiation epoch. The models are more detailed descriptions of the Λ dependence on cosmological factors than previous, allowing calculations of the important parameters, Ωm and Ωr, to deep lookback times. Since we derive these without the need for extra dimensions or other special conditions our derivations are useful for model evaluation with astronomical data. This should aid resolution of several difficult problems of astronomy such as the best value for the Hubble constant at present and at recombination.

Misspecification in Latent Change Score Models: Consequences for Parameter Estimation, Model Evaluation, and Predicting Change.

PubMed

Clark, D Angus; Nuttall, Amy K; Bowles, Ryan P

2018-01-01

Latent change score models (LCS) are conceptually powerful tools for analyzing longitudinal data (McArdle & Hamagami, 2001). However, applications of these models typically include constraints on key parameters over time. Although practically useful, strict invariance over time in these parameters is unlikely in real data. This study investigates the robustness of LCS when invariance over time is incorrectly imposed on key change-related parameters. Monte Carlo simulation methods were used to explore the impact of misspecification on parameter estimation, predicted trajectories of change, and model fit in the dual change score model, the foundational LCS. When constraints were incorrectly applied, several parameters, most notably the slope (i.e., constant change) factor mean and autoproportion coefficient, were severely and consistently biased, as were regression paths to the slope factor when external predictors of change were included. Standard fit indices indicated that the misspecified models fit well, partly because mean level trajectories over time were accurately captured. Loosening constraint improved the accuracy of parameter estimates, but estimates were more unstable, and models frequently failed to converge. Results suggest that potentially common sources of misspecification in LCS can produce distorted impressions of developmental processes, and that identifying and rectifying the situation is a challenge.

[Evaluation of the influence of humidity and temperature on the drug stability by initial average rate experiment].

PubMed

He, Ning; Sun, Hechun; Dai, Miaomiao

2014-05-01

To evaluate the influence of temperature and humidity on the drug stability by initial average rate experiment, and to obtained the kinetic parameters. The effect of concentration error, drug degradation extent, humidity and temperature numbers, humidity and temperature range, and average humidity and temperature on the accuracy and precision of kinetic parameters in the initial average rate experiment was explored. The stability of vitamin C, as a solid state model, was investigated by an initial average rate experiment. Under the same experimental conditions, the kinetic parameters obtained from this proposed method were comparable to those from classical isothermal experiment at constant humidity. The estimates were more accurate and precise by controlling the extent of drug degradation, changing humidity and temperature range, or by setting the average temperature closer to room temperature. Compared with isothermal experiments at constant humidity, our proposed method saves time, labor, and materials.

Integrating retention soil filters into urban hydrologic models - Relevant processes and important parameters

NASA Astrophysics Data System (ADS)

Bachmann-Machnik, Anna; Meyer, Daniel; Waldhoff, Axel; Fuchs, Stephan; Dittmer, Ulrich

2018-04-01

Retention Soil Filters (RSFs), a form of vertical flow constructed wetlands specifically designed for combined sewer overflow (CSO) treatment, have proven to be an effective tool to mitigate negative impacts of CSOs on receiving water bodies. Long-term hydrologic simulations are used to predict the emissions from urban drainage systems during planning of stormwater management measures. So far no universally accepted model for RSF simulation exists. When simulating hydraulics and water quality in RSFs, an appropriate level of detail must be chosen for reasonable balancing between model complexity and model handling, considering the model input's level of uncertainty. The most crucial parameters determining the resultant uncertainties of the integrated sewer system and filter bed model were identified by evaluating a virtual drainage system with a Retention Soil Filter for CSO treatment. To determine reasonable parameter ranges for RSF simulations, data of 207 events from six full-scale RSF plants in Germany were analyzed. Data evaluation shows that even though different plants with varying loading and operation modes were examined, a simple model is sufficient to assess relevant suspended solids (SS), chemical oxygen demand (COD) and NH4 emissions from RSFs. Two conceptual RSF models with different degrees of complexity were assessed. These models were developed based on evaluation of data from full scale RSF plants and column experiments. Incorporated model processes are ammonium adsorption in the filter layer and degradation during subsequent dry weather period, filtration of SS and particulate COD (XCOD) to a constant background concentration and removal of solute COD (SCOD) by a constant removal rate during filter passage as well as sedimentation of SS and XCOD in the filter overflow. XCOD, SS and ammonium loads as well as ammonium concentration peaks are discharged primarily via RSF overflow not passing through the filter bed. Uncertainties of the integrated simulation of the sewer system and RSF model mainly originate from the model parameters of the hydrologic sewer system model.

Using a latent variable model with non-constant factor loadings to examine PM2.5 constituents related to secondary inorganic aerosols.

PubMed

Zhang, Zhenzhen; O'Neill, Marie S; Sánchez, Brisa N

2016-04-01

Factor analysis is a commonly used method of modelling correlated multivariate exposure data. Typically, the measurement model is assumed to have constant factor loadings. However, from our preliminary analyses of the Environmental Protection Agency's (EPA's) PM 2.5 fine speciation data, we have observed that the factor loadings for four constituents change considerably in stratified analyses. Since invariance of factor loadings is a prerequisite for valid comparison of the underlying latent variables, we propose a factor model that includes non-constant factor loadings that change over time and space using P-spline penalized with the generalized cross-validation (GCV) criterion. The model is implemented using the Expectation-Maximization (EM) algorithm and we select the multiple spline smoothing parameters by minimizing the GCV criterion with Newton's method during each iteration of the EM algorithm. The algorithm is applied to a one-factor model that includes four constituents. Through bootstrap confidence bands, we find that the factor loading for total nitrate changes across seasons and geographic regions.

The structure of binding curves and practical identifiability of equilibrium ligand-binding parameters

PubMed Central

Middendorf, Thomas R.

2017-01-01

A critical but often overlooked question in the study of ligands binding to proteins is whether the parameters obtained from analyzing binding data are practically identifiable (PI), i.e., whether the estimates obtained from fitting models to noisy data are accurate and unique. Here we report a general approach to assess and understand binding parameter identifiability, which provides a toolkit to assist experimentalists in the design of binding studies and in the analysis of binding data. The partial fraction (PF) expansion technique is used to decompose binding curves for proteins with n ligand-binding sites exactly and uniquely into n components, each of which has the form of a one-site binding curve. The association constants of the PF component curves, being the roots of an n-th order polynomial, may be real or complex. We demonstrate a fundamental connection between binding parameter identifiability and the nature of these one-site association constants: all binding parameters are identifiable if the constants are all real and distinct; otherwise, at least some of the parameters are not identifiable. The theory is used to construct identifiability maps from which the practical identifiability of binding parameters for any two-, three-, or four-site binding curve can be assessed. Instructions for extending the method to generate identifiability maps for proteins with more than four binding sites are also given. Further analysis of the identifiability maps leads to the simple rule that the maximum number of structurally identifiable binding parameters (shown in the previous paper to be equal to n) will also be PI only if the binding curve line shape contains n resolved components. PMID:27993951

Bromamine Decomposition Revisited: A Holistic Approach for Analyzing Acid and Base Catalysis Kinetics.

PubMed

Wahman, David G; Speitel, Gerald E; Katz, Lynn E

2017-11-21

Chloramine chemistry is complex, with a variety of reactions occurring in series and parallel and many that are acid or base catalyzed, resulting in numerous rate constants. Bromide presence increases system complexity even further with possible bromamine and bromochloramine formation. Therefore, techniques for parameter estimation must address this complexity through thoughtful experimental design and robust data analysis approaches. The current research outlines a rational basis for constrained data fitting using Brønsted theory, application of the microscopic reversibility principle to reversible acid or base catalyzed reactions, and characterization of the relative significance of parallel reactions using fictive product tracking. This holistic approach was used on a comprehensive and well-documented data set for bromamine decomposition, allowing new interpretations of existing data by revealing that a previously published reaction scheme was not robust; it was not able to describe monobromamine or dibromamine decay outside of the conditions for which it was calibrated. The current research's simplified model (3 reactions, 17 constants) represented the experimental data better than the previously published model (4 reactions, 28 constants). A final model evaluation was conducted based on representative drinking water conditions to determine a minimal model (3 reactions, 8 constants) applicable for drinking water conditions.

Simultaneous saccharification and co-fermentation of paper sludge to ethanol by Saccharomyces cerevisiae RWB222--Part I: kinetic modeling and parameters.

PubMed

Zhang, Jiayi; Shao, Xiongjun; Townsend, Oliver V; Lynd, Lee R

2009-12-01

A kinetic model was developed to predict batch simultaneous saccharification and co-fermentation (SSCF) of paper sludge by the xylose-utilizing yeast Saccharomyces cerevisiae RWB222 and the commercial cellulase preparation Spezyme CP. The model accounts for cellulose and xylan enzymatic hydrolysis and competitive uptake of glucose and xylose. Experimental results show that glucan and xylan enzymatic hydrolysis are highly correlated, and that the low concentrations of xylose encountered during SSCF do not have a significant inhibitory effect on enzymatic hydrolysis. Ethanol is found to not only inhibit the specific growth rate, but also to accelerate cell death. Glucose and xylose uptake rates were found to be competitively inhibitory, but this did not have a large impact during SSCF because the sugar concentrations are low. The model was used to evaluate which constants had the greatest impact on ethanol titer for a fixed substrate loading, enzyme loading, and fermentation time. The cellulose adsorption capacity and cellulose hydrolysis rate constants were found to have the greatest impact among enzymatic hydrolysis related constants, and ethanol yield and maximum ethanol tolerance had the greatest impact among fermentation related constants.

Review of lattice results concerning low-energy particle physics: Flavour Lattice Averaging Group (FLAG).

PubMed

Aoki, S; Aoki, Y; Bečirević, D; Bernard, C; Blum, T; Colangelo, G; Della Morte, M; Dimopoulos, P; Dürr, S; Fukaya, H; Golterman, M; Gottlieb, Steven; Hashimoto, S; Heller, U M; Horsley, R; Jüttner, A; Kaneko, T; Lellouch, L; Leutwyler, H; Lin, C-J D; Lubicz, V; Lunghi, E; Mawhinney, R; Onogi, T; Pena, C; Sachrajda, C T; Sharpe, S R; Simula, S; Sommer, R; Vladikas, A; Wenger, U; Wittig, H

2017-01-01

We review lattice results related to pion, kaon, D - and B -meson physics with the aim of making them easily accessible to the particle-physics community. More specifically, we report on the determination of the light-quark masses, the form factor [Formula: see text], arising in the semileptonic [Formula: see text] transition at zero momentum transfer, as well as the decay constant ratio [Formula: see text] and its consequences for the CKM matrix elements [Formula: see text] and [Formula: see text]. Furthermore, we describe the results obtained on the lattice for some of the low-energy constants of [Formula: see text] and [Formula: see text] Chiral Perturbation Theory. We review the determination of the [Formula: see text] parameter of neutral kaon mixing as well as the additional four B parameters that arise in theories of physics beyond the Standard Model. The latter quantities are an addition compared to the previous review. For the heavy-quark sector, we provide results for [Formula: see text] and [Formula: see text] (also new compared to the previous review), as well as those for D - and B -meson-decay constants, form factors, and mixing parameters. These are the heavy-quark quantities most relevant for the determination of CKM matrix elements and the global CKM unitarity-triangle fit. Finally, we review the status of lattice determinations of the strong coupling constant [Formula: see text].

Influence of excitons interaction with charge carriers on photovoltaic parameters in organic solar cells

NASA Astrophysics Data System (ADS)

Głowienka, Damian; Szmytkowski, Jędrzej

2018-03-01

We report on theoretical analysis of excitons annihilation on charge carriers in organic solar cells. Numerical calculations based on transient one-dimensional drift-diffusion model have been carried out. An impact of three quantities (an annihilation rate constant, an exciton mobility and a recombination reduction factor) on current density and concentrations of charge carriers and excitons is investigated. Finally, we discuss the influence of excitons interaction with electrons and holes on four photovoltaic parameters (a short-circuit current, an open-circuit voltage, a fill factor and a power conversion efficiency). The conclusion is that the annihilation process visibly decreases the efficiency of organic photocells, if the annihilation rate constant is greater than 10-15m3s-1 .

Analysis of the uncertainties in the physical calculations of water-moderated power reactors of the VVER type by the parameters of models of preparing few-group constants

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

Bryukhin, V. V., E-mail: bryuhin@yandex.ru; Kurakin, K. Yu.; Uvakin, M. A.

The article covers the uncertainty analysis of the physical calculations of the VVER reactor core for different meshes of the reference values of the feedback parameters (FBP). Various numbers of nodes of the parametric axes of FBPs and different ranges between them are investigated. The uncertainties of the dynamic calculations are analyzed using RTS RCCA ejection as an example within the framework of the model with the boundary conditions at the core inlet and outlet.

Effect of dissolved organic matter on pre-equilibrium passive sampling: A predictive QSAR modeling study.

PubMed

Lin, Wei; Jiang, Ruifen; Shen, Yong; Xiong, Yaxin; Hu, Sizi; Xu, Jianqiao; Ouyang, Gangfeng

2018-04-13

Pre-equilibrium passive sampling is a simple and promising technique for studying sampling kinetics, which is crucial to determine the distribution, transfer and fate of hydrophobic organic compounds (HOCs) in environmental water and organisms. Environmental water samples contain complex matrices that complicate the traditional calibration process for obtaining the accurate rate constants. This study proposed a QSAR model to predict the sampling rate constants of HOCs (polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs) and pesticides) in aqueous systems containing complex matrices. A homemade flow-through system was established to simulate an actual aqueous environment containing dissolved organic matter (DOM) i.e. humic acid (HA) and (2-Hydroxypropyl)-β-cyclodextrin (β-HPCD)), and to obtain the experimental rate constants. Then, a quantitative structure-activity relationship (QSAR) model using Genetic Algorithm-Multiple Linear Regression (GA-MLR) was found to correlate the experimental rate constants to the system state including physicochemical parameters of the HOCs and DOM which were calculated and selected as descriptors by Density Functional Theory (DFT) and Chem 3D. The experimental results showed that the rate constants significantly increased as the concentration of DOM increased, and the enhancement factors of 70-fold and 34-fold were observed for the HOCs in HA and β-HPCD, respectively. The established QSAR model was validated as credible (R Adj. 2 =0.862) and predictable (Q 2 =0.835) in estimating the rate constants of HOCs for complex aqueous sampling, and a probable mechanism was developed by comparison to the reported theoretical study. The present study established a QSAR model of passive sampling rate constants and calibrated the effect of DOM on the sampling kinetics. Copyright © 2018 Elsevier B.V. All rights reserved.

Influence of parameter values on the oscillation sensitivities of two p53-Mdm2 models.

PubMed

Cuba, Christian E; Valle, Alexander R; Ayala-Charca, Giancarlo; Villota, Elizabeth R; Coronado, Alberto M

2015-09-01

Biomolecular networks that present oscillatory behavior are ubiquitous in nature. While some design principles for robust oscillations have been identified, it is not well understood how these oscillations are affected when the kinetic parameters are constantly changing or are not precisely known, as often occurs in cellular environments. Many models of diverse complexity level, for systems such as circadian rhythms, cell cycle or the p53 network, have been proposed. Here we assess the influence of hundreds of different parameter sets on the sensitivities of two configurations of a well-known oscillatory system, the p53 core network. We show that, for both models and all parameter sets, the parameter related to the p53 positive feedback, i.e. self-promotion, is the only one that presents sizeable sensitivities on extrema, periods and delay. Moreover, varying the parameter set values to change the dynamical characteristics of the response is more restricted in the simple model, whereas the complex model shows greater tunability. These results highlight the importance of the presence of specific network patterns, in addition to the role of parameter values, when we want to characterize oscillatory biochemical systems.

Dielectric constant and low-frequency infrared spectra for liquid water and ice Ih within the E3B model.

PubMed

Shi, L; Ni, Y; Drews, S E P; Skinner, J L

2014-08-28

Two intrinsic difficulties in modeling condensed-phase water with conventional rigid non-polarizable water models are: reproducing the static dielectric constants for liquid water and ice Ih, and generating the peak at about 200 cm(-1) in the low-frequency infrared spectrum for liquid water. The primary physical reason for these failures is believed to be the missing polarization effect in these models, and consequently various sophisticated polarizable water models have been developed. However, in this work we pursue a different strategy and propose a simple empirical scheme to include the polarization effect only on the dipole surface (without modifying a model's intermolecular interaction potential). We implement this strategy for our explicit three-body (E3B) model. Our calculated static dielectric constants and low-frequency infrared spectra are in good agreement with experiment for both liquid water and ice Ih over wide temperature ranges, albeit with one fitting parameter for each phase. The success of our modeling also suggests that thermal fluctuations about local minima and the energy differences between different proton-disordered configurations play minor roles in the static dielectric constant of ice Ih. Our analysis shows that the polarization effect is important in resolving the two difficulties mentioned above and sheds some light on the origin of several features in the low-frequency infrared spectra for liquid water and ice Ih.

Constant-current control method of multi-function electromagnetic transmitter.

PubMed

Xue, Kaichang; Zhou, Fengdao; Wang, Shuang; Lin, Jun

2015-02-01

Based on the requirements of controlled source audio-frequency magnetotelluric, DC resistivity, and induced polarization, a constant-current control method is proposed. Using the required current waveforms in prospecting as a standard, the causes of current waveform distortion and current waveform distortion's effects on prospecting are analyzed. A cascaded topology is adopted to achieve 40 kW constant-current transmitter. The responsive speed and precision are analyzed. According to the power circuit of the transmitting system, the circuit structure of the pulse width modulation (PWM) constant-current controller is designed. After establishing the power circuit model of the transmitting system and the PWM constant-current controller model, analyzing the influence of ripple current, and designing an open-loop transfer function according to the amplitude-frequency characteristic curves, the parameters of the PWM constant-current controller are determined. The open-loop transfer function indicates that the loop gain is no less than 28 dB below 160 Hz, which assures the responsive speed of the transmitting system; the phase margin is 45°, which assures the stabilization of the transmitting system. Experimental results verify that the proposed constant-current control method can keep the control error below 4% and can effectively suppress load change caused by the capacitance of earth load.

Constant-current control method of multi-function electromagnetic transmitter

NASA Astrophysics Data System (ADS)

Xue, Kaichang; Zhou, Fengdao; Wang, Shuang; Lin, Jun

2015-02-01

Based on the requirements of controlled source audio-frequency magnetotelluric, DC resistivity, and induced polarization, a constant-current control method is proposed. Using the required current waveforms in prospecting as a standard, the causes of current waveform distortion and current waveform distortion's effects on prospecting are analyzed. A cascaded topology is adopted to achieve 40 kW constant-current transmitter. The responsive speed and precision are analyzed. According to the power circuit of the transmitting system, the circuit structure of the pulse width modulation (PWM) constant-current controller is designed. After establishing the power circuit model of the transmitting system and the PWM constant-current controller model, analyzing the influence of ripple current, and designing an open-loop transfer function according to the amplitude-frequency characteristic curves, the parameters of the PWM constant-current controller are determined. The open-loop transfer function indicates that the loop gain is no less than 28 dB below 160 Hz, which assures the responsive speed of the transmitting system; the phase margin is 45°, which assures the stabilization of the transmitting system. Experimental results verify that the proposed constant-current control method can keep the control error below 4% and can effectively suppress load change caused by the capacitance of earth load.

Development of an Austenitization Kinetics Model for 22MnB5 Steel

NASA Astrophysics Data System (ADS)

Di Ciano, M.; Field, N.; Wells, M. A.; Daun, K. J.

2018-03-01

This paper presents a first-order austenitization kinetics model for 22MnB5 steel, commonly used in hot forming die quenching. Model parameters are derived from constant heating rate dilatometry measurements. Vickers hardness measurements made on coupons that were quenched at intermediate stages of the process were used to verify the model, and the Ac 1 and Ac 3 temperatures inferred from dilatometry are consistent with correlations found in the literature. The austenitization model was extended to consider non-constant heating rates typical of industrial furnaces and again showed reasonable agreement between predictions and measurements. Finally, the model is used to predict latent heat evolution during industrial heating and is shown to be consistent with values inferred from thermocouple measurements of furnace-heated 22MnB5 coupons reported in the literature.

Use of Physicochemical Parameters to Assess the Environmental Fate of Organic Pollutants: The Fugacity Model

ERIC Educational Resources Information Center

Domenech, Xavier; Ayllon, Jose Antonio; Peral, Jose

2006-01-01

The environmental fate and behavior of different organic pollutants based on the qualitative analysis of thermodynamic and kinetic data is presented. The Fugacity model allows the use of different partition constants in an easy way, to determine the distribution of chemical between different phases in equilibrium of an environmental system.

A parametric study of the drift-tearing mode using an extended-magnetohydrodynamic model

DOE PAGES

King, Jacob R.; Kruger, S. E.

2014-10-24

The linear, collisional, constant-ψ drift-tearing mode is analyzed for different regimes of the plasma-β, ion-skin-depth parameter space with an unreduced, extended-magnetohydrodynamic model. Here, new dispersion relations are found at moderate plasma β and previous drift-tearing results are classified as applicable at small plasma β.

Moduli stabilization in stringy ISS models

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

Nakayama, Yu; Nakayama, Yu; Yamazaki, Masahito

2007-09-28

We present a stringy realization of the ISS metastable SUSY breaking model with moduli stabilization. The mass moduli of the ISS model is stabilized by gauging of a U(1) symmetry and its D-term potential. The SUSY is broken both by F-terms and D-terms. It is possible to obtain de Sitter vacua with a vanishingly small cosmological constant by an appropriate fine-tuning of flux parameters.

Magnetized strange quark matter in f(R, T) gravity with bilinear and special form of time varying deceleration parameter

NASA Astrophysics Data System (ADS)

Sahoo, P. K.; Sahoo, Parbati; Bishi, Binaya K.; Aygün, Sezgin

2018-04-01

In this paper, we have studied homogeneous and anisotropic locally rotationally symmetric (LRS) Bianchi type-I model with magnetized strange quark matter (MSQM) distribution and cosmological constant Λ in f(R, T) gravity where R is the Ricci scalar and T the trace of matter source. The exact solutions of the field equations are obtained under bilinear and special form of time varying deceleration parameter (DP). Firstly, we have considered two specific forms of bilinear DP with a single parameter of the form: q = α(1-t)/1+t and q = -αt/1+t, which leads to the constant or linear nature of the function based on the constant α. Second one is the special form of the DP as q = - 1 + β/1+aβ. From the results obtained here, one can observe that in the early universe magnetic flux has more effects and it reduces gradually in the later stage. For t → ∞, we get p → -Bc and ρ → Bc. The behaviour of strange quark matter along with magnetic epoch gives an idea of accelerated expansion of the universe as per the observations of the type Ia Supernovae.

17O nuclear quadrupole coupling constants of water bound to a metal ion: A gadolinium(III) case study

NASA Astrophysics Data System (ADS)

Yazyev, Oleg V.; Helm, Lothar

2006-08-01

Rotational correlation times of metal ion aqua complexes can be determined from O17 NMR relaxation rates if the quadrupole coupling constant of the bound water oxygen-17 nucleus is known. The rotational correlation time is an important parameter for the efficiency of Gd3+ complexes as magnetic resonance imaging contrast agents. Using a combination of density functional theory with classical and Car-Parrinello molecular dynamics simulations we performed a computational study of the O17 quadrupole coupling constants in model aqua ions and the [Gd(DOTA)(H2O)]- complex used in clinical diagnostics. For the inner sphere water molecule in the [Gd(DOTA)(H2O)]- complex the determined quadrupole coupling parameter χ√1+η2/3 of 8.7MHz is very similar to that of the liquid water (9.0MHz ). Very close values were also predicted for the the homoleptic aqua ions of Gd3+ and Ca2+. We conclude that the O17 quadrupole coupling parameters of water molecules coordinated to closed shell and lanthanide metal ions are similar to water molecules in the liquid state.

On the modeling of breath-by-breath oxygen uptake kinetics at the onset of high-intensity exercises: simulated annealing vs. GRG2 method.

PubMed

Bernard, Olivier; Alata, Olivier; Francaux, Marc

2006-03-01

Modeling in the time domain, the non-steady-state O2 uptake on-kinetics of high-intensity exercises with empirical models is commonly performed with gradient-descent-based methods. However, these procedures may impair the confidence of the parameter estimation when the modeling functions are not continuously differentiable and when the estimation corresponds to an ill-posed problem. To cope with these problems, an implementation of simulated annealing (SA) methods was compared with the GRG2 algorithm (a gradient-descent method known for its robustness). Forty simulated Vo2 on-responses were generated to mimic the real time course for transitions from light- to high-intensity exercises, with a signal-to-noise ratio equal to 20 dB. They were modeled twice with a discontinuous double-exponential function using both estimation methods. GRG2 significantly biased two estimated kinetic parameters of the first exponential (the time delay td1 and the time constant tau1) and impaired the precision (i.e., standard deviation) of the baseline A0, td1, and tau1 compared with SA. SA significantly improved the precision of the three parameters of the second exponential (the asymptotic increment A2, the time delay td2, and the time constant tau2). Nevertheless, td2 was significantly biased by both procedures, and the large confidence intervals of the whole second component parameters limit their interpretation. To compare both algorithms on experimental data, 26 subjects each performed two transitions from 80 W to 80% maximal O2 uptake on a cycle ergometer and O2 uptake was measured breath by breath. More than 88% of the kinetic parameter estimations done with the SA algorithm produced the lowest residual sum of squares between the experimental data points and the model. Repeatability coefficients were better with GRG2 for A1 although better with SA for A2 and tau2. Our results demonstrate that the implementation of SA improves significantly the estimation of most of these kinetic parameters, but a large inaccuracy remains in estimating the parameter values of the second exponential.

Estimating Tsunami Runup with Fault Plane Parameters

NASA Astrophysics Data System (ADS)

Sepulveda, I.; Liu, P. L. F.

2016-12-01

The forecasting of tsunami runup has often been done by solving numerical models. The execution times, however, make them unsuitable for the purpose of warning. We offer an alternative method that provides analytical relationship between the runup height, the fault plane parameters and the characteristic of coastal bathymetry. The method uses the model of Okada (1985) to estimate the coseismic deformation and the corresponding sea surface displacement (η(x,0)). Once the tsunami waves are generated, Carrier & Greenspan (1958) solution (C&G) is adopted to yield analytical expressions for the shoreline elevation and velocity. Two types of problems are investigated. In the first, the bathymetry is modeled as a constant slope that is connected to a constant depth region, where a seismic event occurs. This is a boundary value problem (BVP). In the second, the bathymetry is further simplified as a constant slope, on which a seismic event occurs. This is an initial value problem (IVP). Both problems are depicted in Figure 1. We derive runup solutions in terms of the fault parameters. The earthquake is associated with vertical coseismic seafloor displacements by using Okada's elastic model. In addition to the simplifications considered in Okada's model, we further assume (1) a strike parallel to the shoreline, (2) a very long rupture area and (3) a fast earthquake so surface elevation mimics the seafloor displacements. Then the tsunami origin is modeled in terms of the fault depth (d), fault width (W), fault slip (s) and dip angle (δ). We describe the solution for the BVP. Madsen & Schaeffer (2010) utilized C&G to derive solutions for the shoreline elevation of sinusoidal waves imposed in the offshore boundary. A linear superposition of this solution represents any arbitrary incident wave. Furthermore, we can prescribe the boundary condition at the toe of sloping beach by adopting the linear shallow wave equations in the constant depth area. By means of a dimensional analysis, the runup R is determined by Eq.1. Kanoglu (2004) derived a non-dimensional expression for long wave runup originated over a sloping beach. In our work we determine an analytical expression for a sinusoidal initial condition. Following the same procedure as the BVP, the expression for the runup R in the IVP is given by Eq.2. The curves F1 and F2 are plotted in Figure 2.

Rational Design of Glucose-Responsive Insulin Using Pharmacokinetic Modeling.

PubMed

Bakh, Naveed A; Bisker, Gili; Lee, Michael A; Gong, Xun; Strano, Michael S

2017-11-01

A glucose responsive insulin (GRI) is a therapeutic that modulates its potency, concentration, or dosing of insulin in relation to a patient's dynamic glucose concentration, thereby approximating aspects of a normally functioning pancreas. Current GRI design lacks a theoretical basis on which to base fundamental design parameters such as glucose reactivity, dissociation constant or potency, and in vivo efficacy. In this work, an approach to mathematically model the relevant parameter space for effective GRIs is induced, and design rules for linking GRI performance to therapeutic benefit are developed. Well-developed pharmacokinetic models of human glucose and insulin metabolism coupled to a kinetic model representation of a freely circulating GRI are used to determine the desired kinetic parameters and dosing for optimal glycemic control. The model examines a subcutaneous dose of GRI with kinetic parameters in an optimal range that results in successful glycemic control within prescribed constraints over a 24 h period. Additionally, it is demonstrated that the modeling approach can find GRI parameters that enable stable glucose levels that persist through a skipped meal. The results provide a framework for exploring the parameter space of GRIs, potentially without extensive, iterative in vivo animal testing. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Performance Assessment of the Spare Parts for the Activation of Relocated Systems (SPARES) Forecasting Model

DTIC Science & Technology

1991-09-01

constant data into the gaining base’s computer records. Among the data elements to be loaded, the 1XT434 image contains the level detail effective date...the mission support effective date, and the PBR override (19:19-203). In conjunction with the 1XT434, the Mission Change Parameter Image (Constant...the gaining base (19:19-208). The level detail effective date establishes the date the MCDDFR and MCDDR "are considered by the requirements computation

Magnetization of the Ising model on the Sierpinski pastry-shell

NASA Astrophysics Data System (ADS)

Chame, Anna; Branco, N. S.

1992-02-01

Using a real-space renormalization group approach, we calculate the approximate magnetization in the Ising model on the Sierpinski Pastry-shell. We consider, as an approximation, only two regions of the fractal: the internal surfaces, or walls (sites on the border of eliminated areas), with coupling constants JS, and the bulk (all other sites), with coupling constants Jv. We obtain the mean magnetization of the two regions as a function of temperature, for different values of α= JS/ JV and different geometric parameters b and l. Curves present a step-like behavior for some values of b and l, as well as different universality classes for the bulk transition.

Are dark energy models with variable EoS parameter w compatible with the late inhomogeneous Universe?

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

Akarsu, Özgür; Bouhmadi-López, Mariam; Brilenkov, Maxim

We study the late-time evolution of the Universe where dark energy (DE) is presented by a barotropic fluid on top of cold dark matter (CDM) . We also take into account the radiation content of the Universe. Here by the late stage of the evolution we refer to the epoch where CDM is already clustered into inhomogeneously distributed discrete structures (galaxies, groups and clusters of galaxies). Under this condition the mechanical approach is an adequate tool to study the Universe deep inside the cell of uniformity. More precisely, we study scalar perturbations of the FLRW metric due to inhomogeneities ofmore » CDM as well as fluctuations of radiation and DE. For an arbitrary equation of state for DE we obtain a system of equations for the scalar perturbations within the mechanical approach. First, in the case of a constant DE equation of state parameter w, we demonstrate that our method singles out the cosmological constant as the only viable dark energy candidate. Then, we apply our approach to variable equation of state parameters in the form of three different linear parametrizations of w, e.g., the Chevallier-Polarski-Linder perfect fluid model. We conclude that all these models are incompatible with the theory of scalar perturbations in the late Universe.« less

Oxygen consumption rate of cells in 3D culture: the use of experiment and simulation to measure kinetic parameters and optimise culture conditions.

PubMed

Streeter, Ian; Cheema, Umber

2011-10-07

Understanding the basal O(2) and nutrient requirements of cells is paramount when culturing cells in 3D tissue models. Any scaffold design will need to take such parameters into consideration, especially as the addition of cells introduces gradients of consumption of such molecules from the surface to the core of scaffolds. We have cultured two cell types in 3D native collagen type I scaffolds, and measured the O(2) tension at specific locations within the scaffold. By changing the density of cells, we have established O(2) consumption gradients within these scaffolds and using mathematical modeling have derived rates of consumption for O(2). For human dermal fibroblasts the average rate constant was 1.19 × 10(-17) mol cell(-1) s(-1), and for human bone marrow derived stromal cells the average rate constant was 7.91 × 10(-18) mol cell(-1) s(-1). These values are lower than previously published rates for similar cells cultured in 2D, but the values established in this current study are more representative of rates of consumption measured in vivo. These values will dictate 3D culture parameters, including maximum cell-seeding density and maximum size of the constructs, for long-term viability of tissue models.

Deconvolution of complex differential scanning calorimetry profiles for protein transitions under kinetic control.

PubMed

Toledo-Núñez, Citlali; Vera-Robles, L Iraís; Arroyo-Maya, Izlia J; Hernández-Arana, Andrés

2016-09-15

A frequent outcome in differential scanning calorimetry (DSC) experiments carried out with large proteins is the irreversibility of the observed endothermic effects. In these cases, DSC profiles are analyzed according to methods developed for temperature-induced denaturation transitions occurring under kinetic control. In the one-step irreversible model (native → denatured) the characteristics of the observed single-peaked endotherm depend on the denaturation enthalpy and the temperature dependence of the reaction rate constant, k. Several procedures have been devised to obtain the parameters that determine the variation of k with temperature. Here, we have elaborated on one of these procedures in order to analyze more complex DSC profiles. Synthetic data for a heat capacity curve were generated according to a model with two sequential reactions; the temperature dependence of each of the two rate constants involved was determined, according to the Eyring's equation, by two fixed parameters. It was then shown that our deconvolution procedure, by making use of heat capacity data alone, permits to extract the parameter values that were initially used. Finally, experimental DSC traces showing two and three maxima were analyzed and reproduced with relative success according to two- and four-step sequential models. Copyright © 2016 Elsevier Inc. All rights reserved.

Thermodynamics of concentrated electrolyte mixtures and the prediction of mineral solubilities to high temperatures for mixtures in the system Na-K-Mg-Cl-SO 4-OH-H 2O

NASA Astrophysics Data System (ADS)

Pabalan, Roberto T.; Pitzer, Kenneth S.

1987-09-01

Mineral solubilities in binary and ternary electrolyte mixtures in the system Na-K-Mg-Cl-SO 4-OH-H 2O are calculated to high temperatures using available thermodynamic data for solids and for aqueous electrolyte solutions. Activity and osmotic coefficients are derived from the ion-interaction model of Pitzer (1973, 1979) and co-workers, the parameters of which are evaluated from experimentally determined solution properties or from solubility data in binary and ternary mixtures. Excellent to good agreement with experimental solubilities for binary and ternary mixtures indicate that the model can be successfully used to predict mineral-solution equilibria to high temperatures. Although there are currently no theoretical forms for the temperature dependencies of the various model parameters, the solubility data in ternary mixtures can be adequately represented by constant values of the mixing term θ ij and values of ψ ijk which are either constant or have a simple temperature dependence. Since no additional parameters are needed to describe the thermodynamic properties of more complex electrolyte mixtures, the calculations can be extended to equilibrium studies relevant to natural systems. Examples of predicted solubilities are given for the quaternary system NaCl-KCl-MgCl 2-H 2O.

18F-FLT uptake kinetics in head and neck squamous cell carcinoma: a PET imaging study.

PubMed

Liu, Dan; Chalkidou, Anastasia; Landau, David B; Marsden, Paul K; Fenwick, John D

2014-04-01

To analyze the kinetics of 3(')-deoxy-3(')-[F-18]-fluorothymidine (18F-FLT) uptake by head and neck squamous cell carcinomas and involved nodes imaged using positron emission tomography (PET). Two- and three-tissue compartment models were fitted to 12 tumor time-activity-curves (TACs) obtained for 6 structures (tumors or involved nodes) imaged in ten dynamic PET studies of 1 h duration, carried out for five patients. The ability of the models to describe the data was assessed using a runs test, the Akaike information criterion (AIC) and leave-one-out cross-validation. To generate parametric maps the models were also fitted to TACs of individual voxels. Correlations between maps of different parameters were characterized using Pearson'sr coefficient; in particular the phosphorylation rate-constants k3-2tiss and k5 of the two- and three-tissue models were studied alongside the flux parameters KFLT- 2tiss and KFLT of these models, and standardized uptake values (SUV). A methodology based on expectation-maximization clustering and the Bayesian information criterion ("EM-BIC clustering") was used to distil the information from noisy parametric images. Fits of two-tissue models 2C3K and 2C4K and three-tissue models 3C5K and 3C6K comprising three, four, five, and six rate-constants, respectively, pass the runs test for 4, 8, 10, and 11 of 12 tumor TACs. The three-tissue models have lower AIC and cross-validation scores for nine of the 12 tumors. Overall the 3C6K model has the lowest AIC and cross-validation scores and its fitted parameter values are of the same orders of magnitude as literature estimates. Maps of KFLT and KFLT- 2tiss are strongly correlated (r = 0.85) and also correlate closely with SUV maps (r = 0.72 for KFLT- 2tiss, 0.64 for KFLT). Phosphorylation rate-constant maps are moderately correlated with flux maps (r = 0.48 for k3-2tiss vs KFLT- 2tiss and r = 0.68 for k5 vs KFLT); however, neither phosphorylation rate-constant correlates significantly with SUV. EM-BIC clustering reduces the parametric maps to a small number of levels--on average 5.8, 3.5, 3.4, and 1.4 for KFLT- 2tiss, KFLT, k3-2tiss, and k5. This large simplification is potentially useful for radiotherapy dose-painting, but demonstrates the high noise in some maps. Statistical simulations show that voxel level noise degrades TACs generated from the 3C6K model sufficiently that the average AIC score, parameter bias, and total uncertainty of 2C4K model fits are similar to those of 3C6K fits, whereas at the whole tumor level the scores are lower for 3C6K fits. For the patients studied here, whole tumor FLT uptake time-courses are represented better overall by a three-tissue than by a two-tissue model. EM-BIC clustering simplifies noisy parametric maps, providing the best description of the underlying information they contain and is potentially useful for radiotherapy dose-painting. However, the clustering highlights the large degree of noise present in maps of the phosphorylation rate-constantsk5 and k3-2tiss, which are conceptually tightly linked to cellular proliferation. Methods must be found to make these maps more robust-either by constraining other model parameters or modifying dynamic imaging protocols. © 2014 American Association of Physicists in Medicine.

Study the Cyclic Plasticity Behavior of 508 LAS under Constant, Variable and Grid-Load-Following Loading Cycles for Fatigue Evaluation of PWR Components

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

Mohanty, Subhasish; Barua, Bipul; Soppet, William K.

This report provides an update of an earlier assessment of environmentally assisted fatigue for components in light water reactors. This report is a deliverable in September 2016 under the work package for environmentally assisted fatigue under DOE’s Light Water Reactor Sustainability program. In an April 2016 report, we presented a detailed thermal-mechanical stress analysis model for simulating the stress-strain state of a reactor pressure vessel and its nozzles under grid-load-following conditions. In this report, we provide stress-controlled fatigue test data for 508 LAS base metal alloy under different loading amplitudes (constant, variable, and random grid-load-following) and environmental conditions (in airmore » or pressurized water reactor coolant water at 300°C). Also presented is a cyclic plasticity-based analytical model that can simultaneously capture the amplitude and time dependency of the component behavior under fatigue loading. Results related to both amplitude-dependent and amplitude-independent parameters are presented. The validation results for the analytical/mechanistic model are discussed. This report provides guidance for estimating time-dependent, amplitude-independent parameters related to material behavior under different service conditions. The developed mechanistic models and the reported material parameters can be used to conduct more accurate fatigue and ratcheting evaluation of reactor components.« less

Integration of biotic ligand models (BLM) and bioaccumulation kinetics into a mechanistic framework for metal uptake in aquatic organisms.

PubMed

Veltman, Karin; Huijbregts, Mark A J; Hendriks, A Jan

2010-07-01

Both biotic ligand models (BLM) and bioaccumulation models aim to quantify metal exposure based on mechanistic knowledge, but key factors included in the description of metal uptake differ between the two approaches. Here, we present a quantitative comparison of both approaches and show that BLM and bioaccumulation kinetics can be merged into a common mechanistic framework for metal uptake in aquatic organisms. Our results show that metal-specific absorption efficiencies calculated from BLM-parameters for freshwater fish are highly comparable, i.e. within a factor of 2.4 for silver, cadmium, copper, and zinc, to bioaccumulation-absorption efficiencies for predominantly marine fish. Conditional affinity constants are significantly related to the metal-specific covalent index. Additionally, the affinity constants of calcium, cadmium, copper, sodium, and zinc are significantly comparable across aquatic species, including molluscs, daphnids, and fish. This suggests that affinity constants can be estimated from the covalent index, and constants can be extrapolated across species. A new model is proposed that integrates the combined effect of metal chemodynamics, as speciation, competition, and ligand affinity, and species characteristics, as size, on metal uptake by aquatic organisms. An important direction for further research is the quantitative comparison of the proposed model with acute toxicity values for organisms belonging to different size classes.

(abstract) Using an Inversion Algorithm to Retrieve Parameters and Monitor Changes over Forested Areas from SAR Data

NASA Technical Reports Server (NTRS)

Moghaddam, Mahta

1995-01-01

In this work, the application of an inversion algorithm based on a nonlinear opimization technique to retrieve forest parameters from multifrequency polarimetric SAR data is discussed. The approach discussed here allows for retrieving and monitoring changes in forest parameters in a quantative and systematic fashion using SAR data. The parameters to be inverted directly from the data are the electromagnetic scattering properties of the forest components such as their dielectric constants and size characteristics. Once these are known, attributes such as canopy moisture content can be obtained, which are useful in the ecosystem models.

Fourier Transform Ultrasound Spectroscopy for the determination of wave propagation parameters.

PubMed

Pal, Barnana

2017-01-01

The reported results for ultrasonic wave attenuation constant (α) in pure water show noticeable inconsistency in magnitude. A "Propagating-Wave" model analysis of the most popular pulse-echo technique indicates that this is a consequence of the inherent wave propagation characteristics in a bounded medium. In the present work Fourier Transform Ultrasound Spectroscopy (FTUS) is adopted to determine ultrasonic wave propagation parameters, the wave number (k) and attenuation constant (α) at 1MHz frequency in tri-distilled water at room temperature (25°C). Pulse-echo signals obtained under same experimental conditions regarding the exciting input signal and reflecting boundary wall of the water container for various lengths of water columns are captured. The Fast Fourier Transform (FFT) components of the echo signals are taken to compute k, α and r, the reflection constant at the boundary, using Oak Ridge and Oxford method. The results are compared with existing literature values. Copyright © 2016 Elsevier B.V. All rights reserved.

Modeling Complex Equilibria in ITC Experiments: Thermodynamic Parameters Estimation for a Three Binding Site Model

PubMed Central

Le, Vu H.; Buscaglia, Robert; Chaires, Jonathan B.; Lewis, Edwin A.

2013-01-01

Isothermal Titration Calorimetry, ITC, is a powerful technique that can be used to estimate a complete set of thermodynamic parameters (e.g. Keq (or ΔG), ΔH, ΔS, and n) for a ligand binding interaction described by a thermodynamic model. Thermodynamic models are constructed by combination of equilibrium constant, mass balance, and charge balance equations for the system under study. Commercial ITC instruments are supplied with software that includes a number of simple interaction models, for example one binding site, two binding sites, sequential sites, and n-independent binding sites. More complex models for example, three or more binding sites, one site with multiple binding mechanisms, linked equilibria, or equilibria involving macromolecular conformational selection through ligand binding need to be developed on a case by case basis by the ITC user. In this paper we provide an algorithm (and a link to our MATLAB program) for the non-linear regression analysis of a multiple binding site model with up to four overlapping binding equilibria. Error analysis demonstrates that fitting ITC data for multiple parameters (e.g. up to nine parameters in the three binding site model) yields thermodynamic parameters with acceptable accuracy. PMID:23262283

Testing anthropic reasoning for the cosmological constant with a realistic galaxy formation model

NASA Astrophysics Data System (ADS)

Sudoh, Takahiro; Totani, Tomonori; Makiya, Ryu; Nagashima, Masahiro

2017-01-01

The anthropic principle is one of the possible explanations for the cosmological constant (Λ) problem. In previous studies, a dark halo mass threshold comparable with our Galaxy must be assumed in galaxy formation to get a reasonably large probability of finding the observed small value, P(<Λobs), though stars are found in much smaller galaxies as well. Here we examine the anthropic argument by using a semi-analytic model of cosmological galaxy formation, which can reproduce many observations such as galaxy luminosity functions. We calculate the probability distribution of Λ by running the model code for a wide range of Λ, while other cosmological parameters and model parameters for baryonic processes of galaxy formation are kept constant. Assuming that the prior probability distribution is flat per unit Λ, and that the number of observers is proportional to stellar mass, we find P(<Λobs) = 6.7 per cent without introducing any galaxy mass threshold. We also investigate the effect of metallicity; we find P(<Λobs) = 9.0 per cent if observers exist only in galaxies whose metallicity is higher than the solar abundance. If the number of observers is proportional to metallicity, we find P(<Λobs) = 9.7 per cent. Since these probabilities are not extremely small, we conclude that the anthropic argument is a viable explanation, if the value of Λ observed in our Universe is determined by a probability distribution.

The Compatibility of Friedmann Cosmological Models with Observed Properties of Gamma-Ray Bursts and a Large Hubble Constant

NASA Technical Reports Server (NTRS)

Horack, John M.; Koshut, Thomas M.; Mallozzi, Robert S.; Emslie, A. Gordon; Meegan, Charles A.

1996-01-01

The distance scale to cosmic gamma-ray bursts (GRB's) is still uncertain by many orders of magnitude; however, one viable scenario places GRB's at cosmological distances, thereby permitting them to be used as tracers of the cosmological expansion over a significant range of redshifts zeta. Also, several recent measurements of the Hubble constant H(sub 0) appearing in the referred literature report values of 70-80 km/s /Mpc. Although there is significant debate regarding these measurements, we proceed here under the assumption that they are evidence of a large value for H(sub 0). This is done in order to investigate the additional constraints on cosmological models that can be obtained under this hypothesis when combined with the age of the universe and the brightness distribution of cosmological gamma-ray bursts. We show that the range of cosmological models that can be consistent with the GRB brightness distribution, a Hubble constant of 70-80 km/s/Mpc, and a minimum age of the universe of 13-15 Gyr is constrained significantly, largely independent of a wide range of assumptions regarding the evolutionary nature of the burst population. Low-density, Lambda greater than 0 cosmological models with deceleration parameter in the range -1 less than q(sub 0) less than 0 and density parameter sigma(sub 0) in the range approximately equals 0.10-0.25(Omega(sub 0) approximately equals 0.2-0.5) are strongly favored.

Time Domain Estimation of Arterial Parameters using the Windkessel Model and the Monte Carlo Method

NASA Astrophysics Data System (ADS)

Gostuski, Vladimir; Pastore, Ignacio; Rodriguez Palacios, Gaspar; Vaca Diez, Gustavo; Moscoso-Vasquez, H. Marcela; Risk, Marcelo

2016-04-01

Numerous parameter estimation techniques exist for characterizing the arterial system using electrical circuit analogs. However, they are often limited by their requirements and usually high computational burdain. Therefore, a new method for estimating arterial parameters based on Monte Carlo simulation is proposed. A three element Windkessel model was used to represent the arterial system. The approach was to reduce the error between the calculated and physiological aortic pressure by randomly generating arterial parameter values, while keeping constant the arterial resistance. This last value was obtained for each subject using the arterial flow, and was a necessary consideration in order to obtain a unique set of values for the arterial compliance and peripheral resistance. The estimation technique was applied to in vivo data containing steady beats in mongrel dogs, and it reliably estimated Windkessel arterial parameters. Further, this method appears to be computationally efficient for on-line time-domain estimation of these parameters.

Nonassociative plasticity model for cohesionless materials and its implementation in soil-structure interaction

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

Hashmi, Q.S.E.

A constitutive model based on rate-independent elastoplasticity concepts is developed and used to simulate the behavior of geologic materials under arbitrary three-dimensional stress paths. The model accounts for various factors such as friction, stress path, and stress history that influence the behavior of geologic materials. A hierarchical approach is adopted whereby models of progressively increasing sophistication are developed from a basic isotropic-hardening associate model. Nonassociativeness is introduced as correction or perturbation to the basic model. Deviation of normality of the plastic-strain increments to the yield surface F is captured through nonassociativeness. The plastic potential Q is obtained by applying amore » correction to F. This simplified approach restricts the number of extra parameters required to define the plastic potential Q. The material constants associated with the model are identified, and they are evaluated for three different sands (Leighton Buzzard, Munich and McCormick Ranch). The model is then verified by comparing predictions with laboratory tests from which the constants were found, and typical tests not used for finding the constants. Based on the above findings, a soil-footing system is analyzed using finite-element techniques.« less

Identification of canine coronary resistance and intramyocardial compliance on the basis of the waterfall model.

PubMed

Burattini, R; Sipkema, P; van Huis, G A; Westerhof, N

1985-01-01

This study was performed to elucidate the effects of cardiac contraction on coronary pressure-flow relations. On the basis of the waterfall mechanism, a lumped model of the coronary arterial system is presented consisting of a proximal (epicardial) compliance, a coronary resistance, and an intramyocardial compliance. A "back"-pressure, assumed to be proportional (constant k) to left ventricular pressure, impedes flow. From steady-state measurements of circumflex coronary artery flow and inflow pressure, together with left ventricular pressure, the values of the three model parameters and the constant k have been estimated. In the control condition proximal compliance is found to be 1.7 X 10(-12) m4s2kg-1, intramyocardial compliance 110 X 10(-12)m4s2kg-1, and resistance 7.5 X 10(9) kgm-4s-1. The proportionality constant k is close to unity. Effects of changes in left ventricular pressure and inflow pressure and the effect of vasoactive drugs on the parameters are also investigated. Changes in coronary resistance are always opposite to changes in intramyocardial compliance. Sensitivity analysis showed that epicardial compliance plays its major role during isovolumic contraction and relaxation; resistance plays a role throughout the cardiac cycle but is more important in diastole than in systole, whereas intramyocardial compliance plays a role in systole and in early diastole.

Path integration of head direction: updating a packet of neural activity at the correct speed using neuronal time constants.

PubMed

Walters, D M; Stringer, S M

2010-07-01

A key question in understanding the neural basis of path integration is how individual, spatially responsive, neurons may self-organize into networks that can, through learning, integrate velocity signals to update a continuous representation of location within an environment. It is of vital importance that this internal representation of position is updated at the correct speed, and in real time, to accurately reflect the motion of the animal. In this article, we present a biologically plausible model of velocity path integration of head direction that can solve this problem using neuronal time constants to effect natural time delays, over which associations can be learned through associative Hebbian learning rules. The model comprises a linked continuous attractor network and competitive network. In simulation, we show that the same model is able to learn two different speeds of rotation when implemented with two different values for the time constant, and without the need to alter any other model parameters. The proposed model could be extended to path integration of place in the environment, and path integration of spatial view.

An Improved Statistical Solution for Global Seismicity by the HIST-ETAS Approach

NASA Astrophysics Data System (ADS)

Chu, A.; Ogata, Y.; Katsura, K.

2010-12-01

For long-term global seismic model fitting, recent work by Chu et al. (2010) applied the spatial-temporal ETAS model (Ogata 1998) and analyzed global data partitioned into tectonic zones based on geophysical characteristics (Bird 2003), and it has shown tremendous improvements of model fitting compared with one overall global model. While the ordinary ETAS model assumes constant parameter values across the complete region analyzed, the hierarchical space-time ETAS model (HIST-ETAS, Ogata 2004) is a newly introduced approach by proposing regional distinctions of the parameters for more accurate seismic prediction. As the HIST-ETAS model has been fit to regional data of Japan (Ogata 2010), our work applies the model to describe global seismicity. Employing the Akaike's Bayesian Information Criterion (ABIC) as an assessment method, we compare the MLE results with zone divisions considered to results obtained by an overall global model. Location dependent parameters of the model and Gutenberg-Richter b-values are optimized, and seismological interpretations are discussed.

Sensitivity Analysis of Hydraulic Head to Locations of Model Boundaries

DOE PAGES

Lu, Zhiming

2018-01-30

Sensitivity analysis is an important component of many model activities in hydrology. Numerous studies have been conducted in calculating various sensitivities. Most of these sensitivity analysis focus on the sensitivity of state variables (e.g. hydraulic head) to parameters representing medium properties such as hydraulic conductivity or prescribed values such as constant head or flux at boundaries, while few studies address the sensitivity of the state variables to some shape parameters or design parameters that control the model domain. Instead, these shape parameters are typically assumed to be known in the model. In this study, based on the flow equation, wemore » derive the equation (and its associated initial and boundary conditions) for sensitivity of hydraulic head to shape parameters using continuous sensitivity equation (CSE) approach. These sensitivity equations can be solved numerically in general or analytically in some simplified cases. Finally, the approach has been demonstrated through two examples and the results are compared favorably to those from analytical solutions or numerical finite difference methods with perturbed model domains, while numerical shortcomings of the finite difference method are avoided.« less

Scale-up on basis of structured mixing models: A new concept.

PubMed

Mayr, B; Moser, A; Nagy, E; Horvat, P

1994-02-05

A new scale-up concept based upon mixing models for bioreactors equipped with Rushton turbines using the tanks-in-series concept is presented. The physical mixing model includes four adjustable parameters, i.e., radial and axial circulation time, number of ideally mixed elements in one cascade, and the volume of the ideally mixed turbine region. The values of the model parameters were adjusted with the application of a modified Monte-Carlo optimization method, which fitted the simulated response function to the experimental curve. The number of cascade elements turned out to be constant (N = 4). The model parameter radial circulation time is in good agreement with the one obtained by the pumping capacity. In case of remaining parameters a first or second order formal equation was developed, including four operational parameters (stirring and aeration intensity, scale, viscosity). This concept can be extended to several other types of bioreactors as well, and it seems to be a suitable tool to compare the bioprocess performance of different types of bioreactors. (c) 1994 John Wiley & Sons, Inc.

Sensitivity Analysis of Hydraulic Head to Locations of Model Boundaries

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

Lu, Zhiming

Sensitivity analysis is an important component of many model activities in hydrology. Numerous studies have been conducted in calculating various sensitivities. Most of these sensitivity analysis focus on the sensitivity of state variables (e.g. hydraulic head) to parameters representing medium properties such as hydraulic conductivity or prescribed values such as constant head or flux at boundaries, while few studies address the sensitivity of the state variables to some shape parameters or design parameters that control the model domain. Instead, these shape parameters are typically assumed to be known in the model. In this study, based on the flow equation, wemore » derive the equation (and its associated initial and boundary conditions) for sensitivity of hydraulic head to shape parameters using continuous sensitivity equation (CSE) approach. These sensitivity equations can be solved numerically in general or analytically in some simplified cases. Finally, the approach has been demonstrated through two examples and the results are compared favorably to those from analytical solutions or numerical finite difference methods with perturbed model domains, while numerical shortcomings of the finite difference method are avoided.« less

Targeted versus statistical approaches to selecting parameters for modelling sediment provenance

NASA Astrophysics Data System (ADS)

Laceby, J. Patrick

2017-04-01

One effective field-based approach to modelling sediment provenance is the source fingerprinting technique. Arguably, one of the most important steps for this approach is selecting the appropriate suite of parameters or fingerprints used to model source contributions. Accordingly, approaches to selecting parameters for sediment source fingerprinting will be reviewed. Thereafter, opportunities and limitations of these approaches and some future research directions will be presented. For properties to be effective tracers of sediment, they must discriminate between sources whilst behaving conservatively. Conservative behavior is characterized by constancy in sediment properties, where the properties of sediment sources remain constant, or at the very least, any variation in these properties should occur in a predictable and measurable way. Therefore, properties selected for sediment source fingerprinting should remain constant through sediment detachment, transportation and deposition processes, or vary in a predictable and measurable way. One approach to select conservative properties for sediment source fingerprinting is to identify targeted tracers, such as caesium-137, that provide specific source information (e.g. surface versus subsurface origins). A second approach is to use statistical tests to select an optimal suite of conservative properties capable of modelling sediment provenance. In general, statistical approaches use a combination of a discrimination (e.g. Kruskal Wallis H-test, Mann-Whitney U-test) and parameter selection statistics (e.g. Discriminant Function Analysis or Principle Component Analysis). The challenge is that modelling sediment provenance is often not straightforward and there is increasing debate in the literature surrounding the most appropriate approach to selecting elements for modelling. Moving forward, it would be beneficial if researchers test their results with multiple modelling approaches, artificial mixtures, and multiple lines of evidence to provide secondary support to their initial modelling results. Indeed, element selection can greatly impact modelling results and having multiple lines of evidence will help provide confidence when modelling sediment provenance.

Number of independent parameters in the potentiometric titration of humic substances.

PubMed

Lenoir, Thomas; Manceau, Alain

2010-03-16

With the advent of high-precision automatic titrators operating in pH stat mode, measuring the mass balance of protons in solid-solution mixtures against the pH of natural and synthetic polyelectrolytes is now routine. However, titration curves of complex molecules typically lack obvious inflection points, which complicates their analysis despite the high-precision measurements. The calculation of site densities and median proton affinity constants (pK) from such data can lead to considerable covariance between fit parameters. Knowing the number of independent parameters that can be freely varied during the least-squares minimization of a model fit to titration data is necessary to improve the model's applicability. This number was calculated for natural organic matter by applying principal component analysis (PCA) to a reference data set of 47 independent titration curves from fulvic and humic acids measured at I = 0.1 M. The complete data set was reconstructed statistically from pH 3.5 to 9.8 with only six parameters, compared to seven or eight generally adjusted with common semi-empirical speciation models for organic matter, and explains correlations that occur with the higher number of parameters. Existing proton-binding models are not necessarily overparametrized, but instead titration data lack the sensitivity needed to quantify the full set of binding properties of humic materials. Model-independent conditional pK values can be obtained directly from the derivative of titration data, and this approach is the most conservative. The apparent proton-binding constants of the 23 fulvic acids (FA) and 24 humic acids (HA) derived from a high-quality polynomial parametrization of the data set are pK(H,COOH)(FA) = 4.18 +/- 0.21, pK(H,Ph-OH)(FA) = 9.29 +/- 0.33, pK(H,COOH)(HA) = 4.49 +/- 0.18, and pK(H,Ph-OH)(HA) = 9.29 +/- 0.38. Their values at other ionic strengths are more reliably calculated with the empirical Davies equation than any existing model fit.

On rate-state and Coulomb failure models

USGS Publications Warehouse

Gomberg, J.; Beeler, N.; Blanpied, M.

2000-01-01

We examine the predictions of Coulomb failure stress and rate-state frictional models. We study the change in failure time (clock advance) Δt due to stress step perturbations (i.e., coseismic static stress increases) added to "background" stressing at a constant rate (i.e., tectonic loading) at time t0. The predictability of Δt implies a predictable change in seismicity rate r(t)/r0, testable using earthquake catalogs, where r0 is the constant rate resulting from tectonic stressing. Models of r(t)/r0, consistent with general properties of aftershock sequences, must predict an Omori law seismicity decay rate, a sequence duration that is less than a few percent of the mainshock cycle time and a return directly to the background rate. A Coulomb model requires that a fault remains locked during loading, that failure occur instantaneously, and that Δt is independent of t0. These characteristics imply an instantaneous infinite seismicity rate increase of zero duration. Numerical calculations of r(t)/r0 for different state evolution laws show that aftershocks occur on faults extremely close to failure at the mainshock origin time, that these faults must be "Coulomb-like," and that the slip evolution law can be precluded. Real aftershock population characteristics also may constrain rate-state constitutive parameters; a may be lower than laboratory values, the stiffness may be high, and/or normal stress may be lower than lithostatic. We also compare Coulomb and rate-state models theoretically. Rate-state model fault behavior becomes more Coulomb-like as constitutive parameter a decreases relative to parameter b. This is because the slip initially decelerates, representing an initial healing of fault contacts. The deceleration is more pronounced for smaller a, more closely simulating a locked fault. Even when the rate-state Δt has Coulomb characteristics, its magnitude may differ by some constant dependent on b. In this case, a rate-state model behaves like a modified Coulomb failure model in which the failure stress threshold is lowered due to weakening, increasing the clock advance. The deviation from a non-Coulomb response also depends on the loading rate, elastic stiffness, initial conditions, and assumptions about how state evolves.

Cd and proton adsorption onto bacterial consortia grown from industrial wastes and contaminated geologic settings.

PubMed

Borrok, David M; Fein, Jeremy B; Kulpa, Charles F

2004-11-01

To model the effects of bacterial metal adsorption in contaminated environments, results from metal adsorption experiments involving individual pure stains of bacteria must be extrapolated to systems in which potentially dozens of bacterial species are present. This extrapolation may be made easier because bacterial consortia from natural environments appear to exhibit similar metal binding properties. However, bacteria that thrive in highly perturbed contaminated environments may exhibit significantly different adsorptive behavior. Here we measure proton and Cd adsorption onto a range of bacterial consortia grown from heavily contaminated industrial wastes, groundwater, and soils. We model the results using a discrete site surface complexation approach to determine binding constants and site densities for each consortium. The results demonstrate that bacterial consortia from different contaminated environments exhibit a range of total site densities (approximately a 3-fold difference) and Cd-binding constants (approximately a 10-fold difference). These ranges for Cd binding constants may be small enough to suggest that bacteria-metal adsorption in contaminated environments can be described using relatively few "averaged" bacteria-metal binding constants (in conjunction with the necessary binding constants for competing surfaces and ligands). However, if additional precision is necessary, modeling parameters must be developed separately for each contaminated environment of interest.

Universal dispersion model for characterization of optical thin films over wide spectral range: Application to magnesium fluoride

NASA Astrophysics Data System (ADS)

Franta, Daniel; Nečas, David; Giglia, Angelo; Franta, Pavel; Ohlídal, Ivan

2017-11-01

Optical characterization of magnesium fluoride thin films is performed in a wide spectral range from far infrared to extreme ultraviolet (0.01-45 eV) utilizing the universal dispersion model. Two film defects, i.e. random roughness of the upper boundaries and defect transition layer at lower boundary are taken into account. An extension of universal dispersion model consisting in expressing the excitonic contributions as linear combinations of Gaussian and truncated Lorentzian terms is introduced. The spectral dependencies of the optical constants are presented in a graphical form and by the complete set of dispersion parameters that allows generating tabulated optical constants with required range and step using a simple utility in the newAD2 software package.

A log-sinh transformation for data normalization and variance stabilization

NASA Astrophysics Data System (ADS)

Wang, Q. J.; Shrestha, D. L.; Robertson, D. E.; Pokhrel, P.

2012-05-01

When quantifying model prediction uncertainty, it is statistically convenient to represent model errors that are normally distributed with a constant variance. The Box-Cox transformation is the most widely used technique to normalize data and stabilize variance, but it is not without limitations. In this paper, a log-sinh transformation is derived based on a pattern of errors commonly seen in hydrological model predictions. It is suited to applications where prediction variables are positively skewed and the spread of errors is seen to first increase rapidly, then slowly, and eventually approach a constant as the prediction variable becomes greater. The log-sinh transformation is applied in two case studies, and the results are compared with one- and two-parameter Box-Cox transformations.

Fast optimization algorithms and the cosmological constant

NASA Astrophysics Data System (ADS)

Bao, Ning; Bousso, Raphael; Jordan, Stephen; Lackey, Brad

2017-11-01

Denef and Douglas have observed that in certain landscape models the problem of finding small values of the cosmological constant is a large instance of a problem that is hard for the complexity class NP (Nondeterministic Polynomial-time). The number of elementary operations (quantum gates) needed to solve this problem by brute force search exceeds the estimated computational capacity of the observable Universe. Here we describe a way out of this puzzling circumstance: despite being NP-hard, the problem of finding a small cosmological constant can be attacked by more sophisticated algorithms whose performance vastly exceeds brute force search. In fact, in some parameter regimes the average-case complexity is polynomial. We demonstrate this by explicitly finding a cosmological constant of order 10-120 in a randomly generated 1 09-dimensional Arkani-Hamed-Dimopoulos-Kachru landscape.

Expanding wave solutions of the Einstein equations that induce an anomalous acceleration into the Standard Model of Cosmology.

PubMed

Temple, Blake; Smoller, Joel

2009-08-25

We derive a system of three coupled equations that implicitly defines a continuous one-parameter family of expanding wave solutions of the Einstein equations, such that the Friedmann universe associated with the pure radiation phase of the Standard Model of Cosmology is embedded as a single point in this family. By approximating solutions near the center to leading order in the Hubble length, the family reduces to an explicit one-parameter family of expanding spacetimes, given in closed form, that represents a perturbation of the Standard Model. By introducing a comoving coordinate system, we calculate the correction to the Hubble constant as well as the exact leading order quadratic correction to the redshift vs. luminosity relation for an observer at the center. The correction to redshift vs. luminosity entails an adjustable free parameter that introduces an anomalous acceleration. We conclude (by continuity) that corrections to the redshift vs. luminosity relation observed after the radiation phase of the Big Bang can be accounted for, at the leading order quadratic level, by adjustment of this free parameter. The next order correction is then a prediction. Since nonlinearities alone could actuate dissipation and decay in the conservation laws associated with the highly nonlinear radiation phase and since noninteracting expanding waves represent possible time-asymptotic wave patterns that could result, we propose to further investigate the possibility that these corrections to the Standard Model might be the source of the anomalous acceleration of the galaxies, an explanation not requiring the cosmological constant or dark energy.

Dark energy and equivalence principle constraints from astrophysical tests of the stability of the fine-structure constant

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

Martins, C.J.A.P.; Pinho, A.M.M.; Alves, R.F.C.

2015-08-01

Astrophysical tests of the stability of fundamental couplings, such as the fine-structure constant α, are becoming an increasingly powerful probe of new physics. Here we discuss how these measurements, combined with local atomic clock tests and Type Ia supernova and Hubble parameter data, constrain the simplest class of dynamical dark energy models where the same degree of freedom is assumed to provide both the dark energy and (through a dimensionless coupling, ζ, to the electromagnetic sector) the α variation. Specifically, current data tightly constrains a combination of ζ and the present dark energy equation of state w{sub 0}. Moreover, inmore » these models the new degree of freedom inevitably couples to nucleons (through the α dependence of their masses) and leads to violations of the Weak Equivalence Principle. We obtain indirect bounds on the Eötvös parameter η that are typically stronger than the current direct ones. We discuss the model-dependence of our results and briefly comment on how the forthcoming generation of high-resolution ultra-stable spectrographs will enable significantly tighter constraints.« less

Holographic Dark Energy in Brans-Dicke Theory with Logarithmic Form of Scalar Field

NASA Astrophysics Data System (ADS)

Singh, C. P.; Kumar, Pankaj

2017-10-01

In this paper, an interacting holographic dark energy model with Hubble horizon as an infra-red cut-off is considered in the framework of Brans-Dicke theory. We assume the Brans-Dicke scalar field as a logarithmic form ϕ = ϕ 0 l n( α + β a), where a is the scale factor, α and β are arbitrary constants, to interpret the physical phenomena of the Universe. The equation of state parameter w h and deceleration parameter q are obtained to discuss the dynamics of the evolution of the Universe. We present a unified model of holographic dark energy which explains the early time acceleration (inflation), medieval time deceleration and late time acceleration. It is also observed that w h may cross the phantom divide line in the late time evolution. We also discuss the cosmic coincidence problem. We obtain a time-varying density ratio of holographic dark energy to dark matter which is a constant of order one (r˜ O(1)) during early and late time evolution, and may evolve sufficiently slow at present time. Thus, the model successfully resolves the cosmic coincidence problem.

Characterization for elastic constants of fused deposition modelling-fabricated materials based on the virtual fields method and digital image correlation

NASA Astrophysics Data System (ADS)

Cao, Quankun; Xie, Huimin

2017-12-01

Fused deposition modelling (FDM), a widely used rapid prototyping process, is a promising technique in manufacturing engineering. In this work, a method for characterizing elastic constants of FDM-fabricated materials is proposed. First of all, according to the manufacturing process of FDM, orthotropic constitutive model is used to describe the mechanical behavior. Then the virtual fields method (VFM) is applied to characterize all the mechanical parameters (Q_{11}, Q_{22}, Q_{12}, Q_{66}) using the full-field strain, which is measured by digital image correlation (DIC). Since the principal axis of the FDM-fabricated structure is sometimes unknown due to the complexity of the manufacturing process, a disk in diametrical compression is used as the load configuration so that the loading angle can be changed conveniently. To verify the feasibility of the proposed method, finite element method (FEM) simulation is conducted to obtain the strain field of the disk. The simulation results show that higher accuracy can be achieved when the loading angle is close to 30°. Finally, a disk fabricated by FDM was used for the experiment. By rotating the disk, several tests with different loading angles were conducted. To determine the position of the principal axis in each test, two groups of parameters (Q_{11}, Q_{22}, Q_{12}, Q_{66}) are calculated by two different groups of virtual fields. Then the corresponding loading angle can be determined by minimizing the deviation between two groups of the parameters. After that, the four constants (Q_{11}, Q_{22}, Q_{12}, Q_{66}) were determined from the test with an angle of 27°.

Prediction of Rate Constant for Supramolecular Systems with Multiconfigurations.

PubMed

Guo, Tao; Li, Haiyan; Wu, Li; Guo, Zhen; Yin, Xianzhen; Wang, Caifen; Sun, Lixin; Shao, Qun; Gu, Jingkai; York, Peter; Zhang, Jiwen

2016-02-25

The control of supramolecular systems requires a thorough understanding of their dynamics, especially on a molecular level. It is extremely difficult to determine the thermokinetic parameters of supramolecular systems, such as drug-cyclodextrin complexes with fast association/dissociation processes by experimental techniques. In this paper, molecular modeling combined with novel mathematical relationships integrating the thermodynamic/thermokinetic parameters of a series of isomeric multiconfigurations to predict the overall parameters in a range of pH values have been employed to study supramolecular dynamics at the molecular level. A suitable form of Eyring's equation was derived and a two-stage model was introduced. The new approach enabled accurate prediction of the apparent dissociation/association (k(off)/k(on)) and unbinding/binding (k-r/kr) rate constants of the ubiquitous multiconfiguration complexes of the supramolecular system. The pyronine Y (PY) was used as a model system for the validation of the presented method. Interestingly, the predicted k(off) value ((40 ± 1) × 10(5) s(-1), 298 K) of PY is largely in agreement with that previously determined by fluorescence correlation spectroscopy ((5 ± 3) × 10(5) s(-1), 298 K). Moreover, the k(off)/k(on) and k-r/kr for flurbiprofen-β-cylcodextrin and ibuprofen-β-cyclodextrin systems were also predicted and suggested that the association processes are diffusion-controlled. The methodology is considered to be especially useful in the design and selection of excipients for a supramolecular system with preferred association and dissociation rate constants and understanding their mechanisms. It is believed that this new approach could be applicable to a wide range of ligand-receptor supramolecular systems and will surely help in understanding their complex mechanism.

The reconstruction of tachyon inflationary potentials

NASA Astrophysics Data System (ADS)

Fei, Qin; Gong, Yungui; Lin, Jiong; Yi, Zhu

2017-08-01

We derive a lower bound on the field excursion for the tachyon inflation, which is determined by the amplitude of the scalar perturbation and the number of e-folds before the end of inflation. Using the relation between the observables like ns and r with the slow-roll parameters, we reconstruct three classes of tachyon potentials. The model parameters are determined from the observations before the potentials are reconstructed, and the observations prefer the concave potential. We also discuss the constraints from the reheating phase preceding the radiation domination for the three classes of models by assuming the equation of state parameter wre during reheating is a constant. Depending on the model parameters and the value of wre, the constraints on Nre and Tre are different. As ns increases, the allowed reheating epoch becomes longer for wre=-1/3, 0 and 1/6 while the allowed reheating epoch becomes shorter for wre=2/3.

Adaptive vibration suppression system: an iterative control law for a piezoelectric actuator shunted by a negative capacitor.

PubMed

Kodejska, Milos; Mokry, Pavel; Linhart, Vaclav; Vaclavik, Jan; Sluka, Tomas

2012-12-01

An adaptive system for the suppression of vibration transmission using a single piezoelectric actuator shunted by a negative capacitance circuit is presented. It is known that by using a negative-capacitance shunt, the spring constant of a piezoelectric actuator can be controlled to extreme values of zero or infinity. Because the value of spring constant controls a force transmitted through an elastic element, it is possible to achieve a reduction of transmissibility of vibrations through the use of a piezoelectric actuator by reducing its effective spring constant. Narrow frequency range and broad frequency range vibration isolation systems are analyzed, modeled, and experimentally investigated. The problem of high sensitivity of the vibration control system to varying operational conditions is resolved by applying an adaptive control to the circuit parameters of the negative capacitor. A control law that is based on the estimation of the value of the effective spring constant of a shunted piezoelectric actuator is presented. An adaptive system which achieves a self-adjustment of the negative capacitor parameters is presented. It is shown that such an arrangement allows the design of a simple electronic system which offers a great vibration isolation efficiency under variable vibration conditions.

Traversable wormholes satisfying the weak energy condition in third-order Lovelock gravity

NASA Astrophysics Data System (ADS)

Zangeneh, Mahdi Kord; Lobo, Francisco S. N.; Dehghani, Mohammad Hossein

2015-12-01

In this paper, we consider third-order Lovelock gravity with a cosmological constant term in an n -dimensional spacetime M4×Kn -4, where Kn -4 is a constant curvature space. We decompose the equations of motion to four and higher dimensional ones and find wormhole solutions by considering a vacuum Kn -4 space. Applying the latter constraint, we determine the second- and third-order Lovelock coefficients and the cosmological constant in terms of specific parameters of the model, such as the size of the extra dimensions. Using the obtained Lovelock coefficients and Λ , we obtain the four-dimensional matter distribution threading the wormhole. Furthermore, by considering the zero tidal force case and a specific equation of state, given by ρ =(γ p -τ )/[ω (1 +γ )], we find the exact solution for the shape function which represents both asymptotically flat and nonflat wormhole solutions. We show explicitly that these wormhole solutions in addition to traversibility satisfy the energy conditions for suitable choices of parameters and that the existence of a limited spherically symmetric traversable wormhole with normal matter in a four-dimensional spacetime implies a negative effective cosmological constant.

Growth rate in the dynamical dark energy models.

PubMed

Avsajanishvili, Olga; Arkhipova, Natalia A; Samushia, Lado; Kahniashvili, Tina

Dark energy models with a slowly rolling cosmological scalar field provide a popular alternative to the standard, time-independent cosmological constant model. We study the simultaneous evolution of background expansion and growth in the scalar field model with the Ratra-Peebles self-interaction potential. We use recent measurements of the linear growth rate and the baryon acoustic oscillation peak positions to constrain the model parameter [Formula: see text] that describes the steepness of the scalar field potential.

The Inverse Optimal Control Problem for a Three-Loop Missile Autopilot

NASA Astrophysics Data System (ADS)

Hwang, Donghyeok; Tahk, Min-Jea

2018-04-01

The performance characteristics of the autopilot must have a fast response to intercept a maneuvering target and reasonable robustness for system stability under the effect of un-modeled dynamics and noise. By the conventional approach, the three-loop autopilot design is handled by time constant, damping factor and open-loop crossover frequency to achieve the desired performance requirements. Note that the general optimal theory can be also used to obtain the same gain as obtained from the conventional approach. The key idea of using optimal control technique for feedback gain design revolves around appropriate selection and interpretation of the performance index for which the control is optimal. This paper derives an explicit expression, which relates the weight parameters appearing in the quadratic performance index to the design parameters such as open-loop crossover frequency, phase margin, damping factor, or time constant, etc. Since all set of selection of design parameters do not guarantee existence of optimal control law, explicit inequalities, which are named the optimality criteria for the three-loop autopilot (OC3L), are derived to find out all set of design parameters for which the control law is optimal. Finally, based on OC3L, an efficient gain selection procedure is developed, where time constant is set to design objective and open-loop crossover frequency and phase margin as design constraints. The effectiveness of the proposed technique is illustrated through numerical simulations.

Near-Global Survey of Cloud Column Susceptibilities Using ISCCP Data

NASA Technical Reports Server (NTRS)

Han, Qingyuan; Rossow, William B.; Chou, Joyce; Welch, Ronald M.; Hansen, James E. (Technical Monitor)

2000-01-01

A new parameter, cloud column susceptibility, is introduced to study the aerosol indirect effect. There are several advantages of this new parameter in comparison with the traditional cloud susceptibility. First, no assumptions about constant liquid water content and cloud layer thickness are required in calculations so that errors caused by these assumptions can be avoided. Second, no a priori knowledge of liquid water content is necessary in remote sensing, which makes global survey by satellite data possible even though liquid water content may change significantly. Third, this new parameter can deal with variations of cloud geometrical thickness during cloud-aerosol interactions, which are evidenced by Without assuming how cloud droplet size will respond to changes of number concentration, this new parameter describes the aerosol indirect effect more directly. It addresses the question of how cloud albedo changes with increasing column number concentrations of cloud droplets, which is resulted from cloud-aerosol interactions. In this study, two approaches are used to retrieve cloud column susceptibility by satellite data. The results of both approaches show a striking contrast of cloud column susceptibilities between continental and maritime. Between the two approaches, the one that uses no assumption of constant liquid water content leads to smaller, some times even negative, cloud column susceptibilities. This finding suggests that the aerosol indirect effect may be overestimated if the assumption of constant liquid water content is used in model studies.

Analysis of the structural behaviour of colonic segments by inflation tests: Experimental activity and physio-mechanical model.

PubMed

Carniel, Emanuele L; Mencattelli, Margherita; Bonsignori, Gabriella; Fontanella, Chiara G; Frigo, Alessandro; Rubini, Alessandro; Stefanini, Cesare; Natali, Arturo N

2015-11-01

A coupled experimental and computational approach is provided for the identification of the structural behaviour of gastrointestinal regions, accounting for both elastic and visco-elastic properties. The developed procedure is applied to characterize the mechanics of gastrointestinal samples from pig colons. Experimental data about the structural behaviour of colonic segments are provided by inflation tests. Different inflation processes are performed according to progressively increasing top pressure conditions. Each inflation test consists of an air in-flow, according to an almost constant increasing pressure rate, such as 3.5 mmHg/s, up to a prescribed top pressure, which is held constant for about 300 s to allow the development of creep phenomena. Different tests are interspersed by 600 s of rest to allow the recovery of the tissues' mechanical condition. Data from structural tests are post-processed by a physio-mechanical model in order to identify the mechanical parameters that interpret both the non-linear elastic behaviour of the sample, as the instantaneous pressure-stretch trend, and the time-dependent response, as the stretch increase during the creep processes. The parameters are identified by minimizing the discrepancy between experimental and model results. Different sets of parameters are evaluated for different specimens from different pigs. A statistical analysis is performed to evaluate the distribution of the parameters and to assess the reliability of the experimental and computational activities. © IMechE 2015.

Monte Carlo Determination of Dosimetric Parameters of a New (125)I Brachytherapy Source According to AAPM TG-43 (U1) Protocol.

PubMed

Baghani, Hamid Reza; Lohrabian, Vahid; Aghamiri, Mahmoud Reza; Robatjazi, Mostafa

2016-03-01

(125)I is one of the important sources frequently used in brachytherapy. Up to now, several different commercial models of this source type have been introduced to the clinical radiation oncology applications. Recently, a new source model, IrSeed-125, has been added to this list. The aim of the present study is to determine the dosimetric parameters of this new source model based on the recommendations of TG-43 (U1) protocol using Monte Carlo simulation. The dosimetric characteristics of Ir-125 including dose rate constant, radial dose function, 2D anisotropy function and 1D anisotropy function were determined inside liquid water using MCNPX code and compared to those of other commercially available iodine sources. The dose rate constant of this new source was found to be 0.983+0.015 cGyh-1U-1 that was in good agreement with the TLD measured data (0.965 cGyh-1U-1). The 1D anisotropy function at 3, 5, and 7 cm radial distances were obtained as 0.954, 0.953 and 0.959, respectively. The results of this study showed that the dosimetric characteristics of this new brachytherapy source are comparable with those of other commercially available sources. Furthermore, the simulated parameters were in accordance with the previously measured ones. Therefore, the Monte Carlo calculated dosimetric parameters could be employed to obtain the dose distribution around this new brachytherapy source based on TG-43 (U1) protocol.

How to characterize a nonlinear elastic material? A review on nonlinear constitutive parameters in isotropic finite elasticity

PubMed Central

2017-01-01

The mechanical response of a homogeneous isotropic linearly elastic material can be fully characterized by two physical constants, the Young’s modulus and the Poisson’s ratio, which can be derived by simple tensile experiments. Any other linear elastic parameter can be obtained from these two constants. By contrast, the physical responses of nonlinear elastic materials are generally described by parameters which are scalar functions of the deformation, and their particular choice is not always clear. Here, we review in a unified theoretical framework several nonlinear constitutive parameters, including the stretch modulus, the shear modulus and the Poisson function, that are defined for homogeneous isotropic hyperelastic materials and are measurable under axial or shear experimental tests. These parameters represent changes in the material properties as the deformation progresses, and can be identified with their linear equivalent when the deformations are small. Universal relations between certain of these parameters are further established, and then used to quantify nonlinear elastic responses in several hyperelastic models for rubber, soft tissue and foams. The general parameters identified here can also be viewed as a flexible basis for coupling elastic responses in multi-scale processes, where an open challenge is the transfer of meaningful information between scales. PMID:29225507

Detection of Prostate Cancer: Quantitative Multiparametric MR Imaging Models Developed Using Registered Correlative Histopathology.

PubMed

Metzger, Gregory J; Kalavagunta, Chaitanya; Spilseth, Benjamin; Bolan, Patrick J; Li, Xiufeng; Hutter, Diane; Nam, Jung W; Johnson, Andrew D; Henriksen, Jonathan C; Moench, Laura; Konety, Badrinath; Warlick, Christopher A; Schmechel, Stephen C; Koopmeiners, Joseph S

2016-06-01

Purpose To develop multiparametric magnetic resonance (MR) imaging models to generate a quantitative, user-independent, voxel-wise composite biomarker score (CBS) for detection of prostate cancer by using coregistered correlative histopathologic results, and to compare performance of CBS-based detection with that of single quantitative MR imaging parameters. Materials and Methods Institutional review board approval and informed consent were obtained. Patients with a diagnosis of prostate cancer underwent multiparametric MR imaging before surgery for treatment. All MR imaging voxels in the prostate were classified as cancer or noncancer on the basis of coregistered histopathologic data. Predictive models were developed by using more than one quantitative MR imaging parameter to generate CBS maps. Model development and evaluation of quantitative MR imaging parameters and CBS were performed separately for the peripheral zone and the whole gland. Model accuracy was evaluated by using the area under the receiver operating characteristic curve (AUC), and confidence intervals were calculated with the bootstrap procedure. The improvement in classification accuracy was evaluated by comparing the AUC for the multiparametric model and the single best-performing quantitative MR imaging parameter at the individual level and in aggregate. Results Quantitative T2, apparent diffusion coefficient (ADC), volume transfer constant (K(trans)), reflux rate constant (kep), and area under the gadolinium concentration curve at 90 seconds (AUGC90) were significantly different between cancer and noncancer voxels (P < .001), with ADC showing the best accuracy (peripheral zone AUC, 0.82; whole gland AUC, 0.74). Four-parameter models demonstrated the best performance in both the peripheral zone (AUC, 0.85; P = .010 vs ADC alone) and whole gland (AUC, 0.77; P = .043 vs ADC alone). Individual-level analysis showed statistically significant improvement in AUC in 82% (23 of 28) and 71% (24 of 34) of patients with peripheral-zone and whole-gland models, respectively, compared with ADC alone. Model-based CBS maps for cancer detection showed improved visualization of cancer location and extent. Conclusion Quantitative multiparametric MR imaging models developed by using coregistered correlative histopathologic data yielded a voxel-wise CBS that outperformed single quantitative MR imaging parameters for detection of prostate cancer, especially when the models were assessed at the individual level. (©) RSNA, 2016 Online supplemental material is available for this article.

An approximate analytical solution for describing surface runoff and sediment transport over hillslope

NASA Astrophysics Data System (ADS)

Tao, Wanghai; Wang, Quanjiu; Lin, Henry

2018-03-01

Soil and water loss from farmland causes land degradation and water pollution, thus continued efforts are needed to establish mathematical model for quantitative analysis of relevant processes and mechanisms. In this study, an approximate analytical solution has been developed for overland flow model and sediment transport model, offering a simple and effective means to predict overland flow and erosion under natural rainfall conditions. In the overland flow model, the flow regime was considered to be transitional with the value of parameter β (in the kinematic wave model) approximately two. The change rate of unit discharge with distance was assumed to be constant and equal to the runoff rate at the outlet of the plane. The excess rainfall was considered to be constant under uniform rainfall conditions. The overland flow model developed can be further applied to natural rainfall conditions by treating excess rainfall intensity as constant over a small time interval. For the sediment model, the recommended values of the runoff erosion calibration constant (cr) and the splash erosion calibration constant (cf) have been given in this study so that it is easier to use the model. These recommended values are 0.15 and 0.12, respectively. Comparisons with observed results were carried out to validate the proposed analytical solution. The results showed that the approximate analytical solution developed in this paper closely matches the observed data, thus providing an alternative method of predicting runoff generation and sediment yield, and offering a more convenient method of analyzing the quantitative relationships between variables. Furthermore, the model developed in this study can be used as a theoretical basis for developing runoff and erosion control methods.

The Influence of Temperature on Time-Dependent Deformation and Failure in Granite: A Mesoscale Modeling Approach

NASA Astrophysics Data System (ADS)

Xu, T.; Zhou, G. L.; Heap, Michael J.; Zhu, W. C.; Chen, C. F.; Baud, Patrick

2017-09-01

An understanding of the influence of temperature on brittle creep in granite is important for the management and optimization of granitic nuclear waste repositories and geothermal resources. We propose here a two-dimensional, thermo-mechanical numerical model that describes the time-dependent brittle deformation (brittle creep) of low-porosity granite under different constant temperatures and confining pressures. The mesoscale model accounts for material heterogeneity through a stochastic local failure stress field, and local material degradation using an exponential material softening law. Importantly, the model introduces the concept of a mesoscopic renormalization to capture the co-operative interaction between microcracks in the transition from distributed to localized damage. The mesoscale physico-mechanical parameters for the model were first determined using a trial-and-error method (until the modeled output accurately captured mechanical data from constant strain rate experiments on low-porosity granite at three different confining pressures). The thermo-physical parameters required for the model, such as specific heat capacity, coefficient of linear thermal expansion, and thermal conductivity, were then determined from brittle creep experiments performed on the same low-porosity granite at temperatures of 23, 50, and 90 °C. The good agreement between the modeled output and the experimental data, using a unique set of thermo-physico-mechanical parameters, lends confidence to our numerical approach. Using these parameters, we then explore the influence of temperature, differential stress, confining pressure, and sample homogeneity on brittle creep in low-porosity granite. Our simulations show that increases in temperature and differential stress increase the creep strain rate and therefore reduce time-to-failure, while increases in confining pressure and sample homogeneity decrease creep strain rate and increase time-to-failure. We anticipate that the modeling presented herein will assist in the management and optimization of geotechnical engineering projects within granite.

Mathematical quantification of the induced stress resistance of microbial populations during non-isothermal stresses.

PubMed

Garre, Alberto; Huertas, Juan Pablo; González-Tejedor, Gerardo A; Fernández, Pablo S; Egea, Jose A; Palop, Alfredo; Esnoz, Arturo

2018-02-02

This contribution presents a mathematical model to describe non-isothermal microbial inactivation processes taking into account the acclimation of the microbial cell to thermal stress. The model extends the log-linear inactivation model including a variable and model parameters quantifying the induced thermal resistance. The model has been tested on cells of Escherichia coli against two families of non-isothermal profiles with different constant heating rates. One of the families was composed of monophasic profiles, consisting of a non-isothermal heating stage from 35 to 70°C; the other family was composed of biphasic profiles, consisting of a non-isothermal heating stage followed by a holding period at constant temperature of 57.5°C. Lower heating rates resulted in a higher thermal resistance of the bacterial population. This was reflected in a higher D-value. The parameter estimation was performed in two steps. Firstly, the D and z-values were estimated from the isothermal experiments. Next, the parameters describing the acclimation were estimated using one of the biphasic profiles. This set of parameters was able to describe the remaining experimental data. Finally, a methodology for the construction of diagrams illustrating the magnitude of the induced thermal resistance is presented. The methodology has been illustrated by building it for a biphasic temperature profile with a linear heating phase and a holding phase. This diagram provides a visualization of how the shape of the temperature profile (heating rate and holding temperature) affects the acclimation of the cell to the thermal stress. This diagram can be used for the design of inactivation treatments by industry taking into account the acclimation of the cell to the thermal stress. Copyright © 2017 Elsevier B.V. All rights reserved.

Explorations in dark energy

NASA Astrophysics Data System (ADS)

Bozek, Brandon

This dissertation describes three research projects on the topic of dark energy. The first project is an analysis of a scalar field model of dark energy with an exponential potential using the Dark Energy Task Force (DETF) simulated data models. Using Markov Chain Monte Carlo sampling techniques we examine the ability of each simulated data set to constrain the parameter space of the exponential potential for data sets based on a cosmological constant and a specific exponential scalar field model. We compare our results with the constraining power calculated by the DETF using their "w 0--wa" parameterization of the dark energy. We find that respective increases in constraining power from one stage to the next produced by our analysis give results consistent with DETF results. To further investigate the potential impact of future experiments, we also generate simulated data for an exponential model background cosmology which can not be distinguished from a cosmological constant at DETF Stage 2, and show that for this cosmology good DETF Stage 4 data would exclude a cosmological constant by better than 3sigma. The second project details this analysis on a Inverse Power Law (IPL) or "Ratra-Peebles" (RP) model. This model is a member of a popular subset of scalar field quintessence models that exhibit "tracking" behavior that make this model particularly theoretically interesting. We find that the relative increase in constraining power on the parameter space of this model is consistent to what was found in the first project and the DETF report. We also show, using a background cosmology based on an IPL scalar field model that is consistent with a cosmological constant with Stage 2 data, that good DETF Stage 4 data would exclude a cosmological constant by better than 3sigma. The third project extends the Causal Entropic Principle to predict the preferred curvature within the "multiverse". The Causal Entropic Principle (Bousso, et al.) provides an alternative approach to anthropic attempts to predict our observed value of the cosmological constant by calculating the entropy created within a causal diamond. We have found that values larger than rhok = 40rho m are disfavored by more than 99.99% and a peak value at rho Λ = 7.9 x 10-123 and rho k = 4.3rhom for open universes. For universes that allow only positive curvature or both positive and negative curvature, we find a correlation between curvature and dark energy that leads to an extended region of preferred values. Our universe is found to be disfavored to an extent depending the priors on curvature. We also provide a comparison to previous anthropic constraints on open universes and discuss future directions for this work.

Pressure-driven flow of a Herschel-Bulkley fluid with pressure-dependent rheological parameters

NASA Astrophysics Data System (ADS)

Panaseti, Pandelitsa; Damianou, Yiolanda; Georgiou, Georgios C.; Housiadas, Kostas D.

2018-03-01

The lubrication flow of a Herschel-Bulkley fluid in a symmetric long channel of varying width, 2h(x), is modeled extending the approach proposed by Fusi et al. ["Pressure-driven lubrication flow of a Bingham fluid in a channel: A novel approach," J. Non-Newtonian Fluid Mech. 221, 66-75 (2015)] for a Bingham plastic. Moreover, both the consistency index and the yield stress are assumed to be pressure-dependent. Under the lubrication approximation, the pressure at zero order depends only on x and the semi-width of the unyielded core is found to be given by σ(x) = -(1 + 1/n)h(x) + C, where n is the power-law exponent and the constant C depends on the Bingham number and the consistency-index and yield-stress growth numbers. Hence, in a channel of constant width, the width of the unyielded core is also constant, despite the pressure dependence of the yield stress, and the pressure distribution is not affected by the yield-stress function. With the present model, the pressure is calculated numerically solving an integro-differential equation and then the position of the yield surface and the two velocity components are computed using analytical expressions. Some analytical solutions are also derived for channels of constant and linearly varying widths. The lubrication solutions for other geometries are calculated numerically. The implications of the pressure-dependence of the material parameters and the limitations of the method are discussed.

Development of quantitative radioactive methodologies on paper to determine important lateral-flow immunoassay parameters.

PubMed

Mosley, Garrett L; Nguyen, Phuong; Wu, Benjamin M; Kamei, Daniel T

2016-08-07

The lateral-flow immunoassay (LFA) is a well-established diagnostic technology that has recently seen significant advancements due in part to the rapidly expanding fields of paper diagnostics and paper-fluidics. As LFA-based diagnostics become more complex, it becomes increasingly important to quantitatively determine important parameters during the design and evaluation process. However, current experimental methods for determining these parameters have certain limitations when applied to LFA systems. In this work, we describe our novel methods of combining paper and radioactive measurements to determine nanoprobe molarity, the number of antibodies per nanoprobe, and the forward and reverse rate constants for nanoprobe binding to immobilized target on the LFA test line. Using a model LFA system that detects for the presence of the protein transferrin (Tf), we demonstrate the application of our methods, which involve quantitative experimentation and mathematical modeling. We also compare the results of our rate constant experiments with traditional experiments to demonstrate how our methods more appropriately capture the influence of the LFA environment on the binding interaction. Our novel experimental approaches can therefore more efficiently guide the research process for LFA design, leading to more rapid advancement of the field of paper-based diagnostics.

Influence of the coating level on the heterogeneous ozonolysis kinetics and product yields of chlorpyrifos ethyl adsorbed on sand particles.

PubMed

El Masri, Ahmad; Laversin, Hélène; Chakir, Abdelkhaleq; Roth, Estelle

2016-12-01

Heterogeneous oxidation of chlorpyrifos ethyl (CLP) coated sand particles by gaseous ozone was studied. Mono-size sand was coated with CLP at different coating levels between 10 and 100 μg g -1 and exposed to ozone. Results were analyzed thanks to Gas Surface Reaction and Surface Layer Reaction Models. Kinetic parameters derived from these models were analyzed and led to several conclusions. The equilibrium constant of O 3 between the gas phase and the CLP-coated sand was independent on the sand contamination level. Ozone seems to have similar affinity for coated or uncoated sand surface. Meanwhile, the kinetic parameters decreased with an increasing coating level. Chlorpyrifos Oxon, (CLPO) has been identified and quantified as an ozonolysis product. The product yield of CLPO remains constant (53 ± 10%) for the different coating level. The key parameter influencing the CLP reactivity towards ozone was the CLP-coating level. This dependence had a great influence on the lifetime of the CLP coated on sand particles, with respect to ozone, which could reach several years at high contamination level. Copyright © 2016 Elsevier Ltd. All rights reserved.

Sub-grid scale combustion models for large eddy simulation of unsteady premixed flame propagation around obstacles.

PubMed

Di Sarli, Valeria; Di Benedetto, Almerinda; Russo, Gennaro

2010-08-15

In this work, an assessment of different sub-grid scale (sgs) combustion models proposed for large eddy simulation (LES) of steady turbulent premixed combustion (Colin et al., Phys. Fluids 12 (2000) 1843-1863; Flohr and Pitsch, Proc. CTR Summer Program, 2000, pp. 61-82; Kim and Menon, Combust. Sci. Technol. 160 (2000) 119-150; Charlette et al., Combust. Flame 131 (2002) 159-180; Pitsch and Duchamp de Lageneste, Proc. Combust. Inst. 29 (2002) 2001-2008) was performed to identify the model that best predicts unsteady flame propagation in gas explosions. Numerical results were compared to the experimental data by Patel et al. (Proc. Combust. Inst. 29 (2002) 1849-1854) for premixed deflagrating flame in a vented chamber in the presence of three sequential obstacles. It is found that all sgs combustion models are able to reproduce qualitatively the experiment in terms of step of flame acceleration and deceleration around each obstacle, and shape of the propagating flame. Without adjusting any constants and parameters, the sgs model by Charlette et al. also provides satisfactory quantitative predictions for flame speed and pressure peak. Conversely, the sgs combustion models other than Charlette et al. give correct predictions only after an ad hoc tuning of constants and parameters. Copyright 2010 Elsevier B.V. All rights reserved.

Bayesian dynamic modeling of time series of dengue disease case counts

PubMed Central

López-Quílez, Antonio; Torres-Prieto, Alexander

2017-01-01

The aim of this study is to model the association between weekly time series of dengue case counts and meteorological variables, in a high-incidence city of Colombia, applying Bayesian hierarchical dynamic generalized linear models over the period January 2008 to August 2015. Additionally, we evaluate the model’s short-term performance for predicting dengue cases. The methodology shows dynamic Poisson log link models including constant or time-varying coefficients for the meteorological variables. Calendar effects were modeled using constant or first- or second-order random walk time-varying coefficients. The meteorological variables were modeled using constant coefficients and first-order random walk time-varying coefficients. We applied Markov Chain Monte Carlo simulations for parameter estimation, and deviance information criterion statistic (DIC) for model selection. We assessed the short-term predictive performance of the selected final model, at several time points within the study period using the mean absolute percentage error. The results showed the best model including first-order random walk time-varying coefficients for calendar trend and first-order random walk time-varying coefficients for the meteorological variables. Besides the computational challenges, interpreting the results implies a complete analysis of the time series of dengue with respect to the parameter estimates of the meteorological effects. We found small values of the mean absolute percentage errors at one or two weeks out-of-sample predictions for most prediction points, associated with low volatility periods in the dengue counts. We discuss the advantages and limitations of the dynamic Poisson models for studying the association between time series of dengue disease and meteorological variables. The key conclusion of the study is that dynamic Poisson models account for the dynamic nature of the variables involved in the modeling of time series of dengue disease, producing useful models for decision-making in public health. PMID:28671941

Calibration parameters used to simulate streamflow from application of the Hydrologic Simulation Program-FORTRAN Model (HSPF) to mountainous basins containing coal mines in West Virginia

USGS Publications Warehouse

Atkins, John T.; Wiley, Jeffrey B.; Paybins, Katherine S.

2005-01-01

This report presents the Hydrologic Simulation Program-FORTRAN Model (HSPF) parameters for eight basins in the coal-mining region of West Virginia. The magnitude and characteristics of model parameters from this study will assist users of HSPF in simulating streamflow at other basins in the coal-mining region of West Virginia. The parameter for nominal capacity of the upper-zone storage, UZSN, increased from south to north. The increase in UZSN with the increase in basin latitude could be due to decreasing slopes, decreasing rockiness of the soils, and increasing soil depths from south to north. A special action was given to the parameter for fraction of ground-water inflow that flows to inactive ground water, DEEPFR. The basis for this special action was related to the seasonal movement of the water table and transpiration from trees. The models were most sensitive to DEEPFR and the parameter for interception storage capacity, CEPSC. The models were also fairly sensitive to the parameter for an index representing the infiltration capacity of the soil, INFILT; the parameter for indicating the behavior of the ground-water recession flow, KVARY; the parameter for the basic ground-water recession rate, AGWRC; the parameter for nominal capacity of the upper zone storage, UZSN; the parameter for the interflow inflow, INTFW; the parameter for the interflow recession constant, IRC; and the parameter for lower zone evapotranspiration, LZETP.

Creep-rupture reliability analysis

NASA Technical Reports Server (NTRS)

Peralta-Duran, A.; Wirsching, P. H.

1984-01-01

A probabilistic approach to the correlation and extrapolation of creep-rupture data is presented. Time temperature parameters (TTP) are used to correlate the data, and an analytical expression for the master curve is developed. The expression provides a simple model for the statistical distribution of strength and fits neatly into a probabilistic design format. The analysis focuses on the Larson-Miller and on the Manson-Haferd parameters, but it can be applied to any of the TTP's. A method is developed for evaluating material dependent constants for TTP's. It is shown that optimized constants can provide a significant improvement in the correlation of the data, thereby reducing modelling error. Attempts were made to quantify the performance of the proposed method in predicting long term behavior. Uncertainty in predicting long term behavior from short term tests was derived for several sets of data. Examples are presented which illustrate the theory and demonstrate the application of state of the art reliability methods to the design of components under creep.

Fixed Bed Column Study for Adsolubilization of 2,4-D Herbicide on Surfactant Modified Silica Gel Waste

NASA Astrophysics Data System (ADS)

Koner, S.; Adak, A.

2012-09-01

The fixed bed column study was conducted for the removal of 2,4-dichlorophenoxyacetic acid (2,4-D), a widely used herbicide from synthetically prepared wastewater using surfactant modified silica gel waste (SMSGW) as an adsorbing media. The adsorbing media was prepared by treating silica gel waste (SGW) with cationic surfactant. The removal was due to adsolubilization of 2,4-D molecules within the admicelles formed on the surface of SGW. The column having 2.5 cm diameter, with different bed heights such as 20, 30 and 40 cm were used in the study. The different column design parameters like depth of exchange zone, time required for exchange zone to move its own height, adsorption rate constant, adsorption capacity constant were calculated using BDST model. The SMSGW was found to be a very efficient media for the removal of 2,4-D from wastewater. Column design parameters were modeled for different field conditions to predict the duration of column run for practical application.

Structural response of a rotating bladed disk to rotor whirl

NASA Technical Reports Server (NTRS)

Crawley, E. F.

1985-01-01

A set of high speed rotating whirl experiments were performed in the vacuum of the MIT Blowdown Compressor Facility on the MIT Aeroelastic Rotor, which is structurally typical of a modern high bypass ratio turbofan stage. These tests identified the natural frequencies of whirl of the rotor system by forcing its response using an electromagnetic shaker whirl excitation system. The excitation was slowly swept in frequency at constant amplitude for several constant rotor speeds in both a forward and backward whirl direction. The natural frequencies of whirl determined by these experiments were compared to those predicted by an analytical 6 DOF model of a flexible blade-rigid disk-flexible shaft rotor. The model is also presented in terms of nondimensional parameters in order to assess the importance of the interation between the bladed disk dynamics and the shaft-disk dynamics. The correlation between the experimental and predicted natural frequencies is reasonable, given the uncertainty involved in determining the stiffness parameters of the system.

A New Energy-Critical Plane Damage Parameter for Multiaxial Fatigue Life Prediction of Turbine Blades.

PubMed

Yu, Zheng-Yong; Zhu, Shun-Peng; Liu, Qiang; Liu, Yunhan

2017-05-08

As one of fracture critical components of an aircraft engine, accurate life prediction of a turbine blade to disk attachment is significant for ensuring the engine structural integrity and reliability. Fatigue failure of a turbine blade is often caused under multiaxial cyclic loadings at high temperatures. In this paper, considering different failure types, a new energy-critical plane damage parameter is proposed for multiaxial fatigue life prediction, and no extra fitted material constants will be needed for practical applications. Moreover, three multiaxial models with maximum damage parameters on the critical plane are evaluated under tension-compression and tension-torsion loadings. Experimental data of GH4169 under proportional and non-proportional fatigue loadings and a case study of a turbine disk-blade contact system are introduced for model validation. Results show that model predictions by Wang-Brown (WB) and Fatemi-Socie (FS) models with maximum damage parameters are conservative and acceptable. For the turbine disk-blade contact system, both of the proposed damage parameters and Smith-Watson-Topper (SWT) model show reasonably acceptable correlations with its field number of flight cycles. However, life estimations of the turbine blade reveal that the definition of the maximum damage parameter is not reasonable for the WB model but effective for both the FS and SWT models.

A New Energy-Critical Plane Damage Parameter for Multiaxial Fatigue Life Prediction of Turbine Blades

PubMed Central

Yu, Zheng-Yong; Zhu, Shun-Peng; Liu, Qiang; Liu, Yunhan

2017-01-01

As one of fracture critical components of an aircraft engine, accurate life prediction of a turbine blade to disk attachment is significant for ensuring the engine structural integrity and reliability. Fatigue failure of a turbine blade is often caused under multiaxial cyclic loadings at high temperatures. In this paper, considering different failure types, a new energy-critical plane damage parameter is proposed for multiaxial fatigue life prediction, and no extra fitted material constants will be needed for practical applications. Moreover, three multiaxial models with maximum damage parameters on the critical plane are evaluated under tension-compression and tension-torsion loadings. Experimental data of GH4169 under proportional and non-proportional fatigue loadings and a case study of a turbine disk-blade contact system are introduced for model validation. Results show that model predictions by Wang-Brown (WB) and Fatemi-Socie (FS) models with maximum damage parameters are conservative and acceptable. For the turbine disk-blade contact system, both of the proposed damage parameters and Smith-Watson-Topper (SWT) model show reasonably acceptable correlations with its field number of flight cycles. However, life estimations of the turbine blade reveal that the definition of the maximum damage parameter is not reasonable for the WB model but effective for both the FS and SWT models. PMID:28772873

Testing and Improving Theories of Radiative Transfer for Determining the Mineralogy of Planetary Surfaces

NASA Astrophysics Data System (ADS)

Gudmundsson, E.; Ehlmann, B. L.; Mustard, J. F.; Hiroi, T.; Poulet, F.

2012-12-01

Two radiative transfer theories, the Hapke and Shkuratov models, have been used to estimate the mineralogic composition of laboratory mixtures of anhydrous mafic minerals from reflected near-infrared light, accurately modeling abundances to within 10%. For this project, we tested the efficacy of the Hapke model for determining the composition of mixtures (weight fraction, particle diameter) containing hydrous minerals, including phyllosilicates. Modal mineral abundances for some binary mixtures were modeled to +/-10% of actual values, but other mixtures showed higher inaccuracies (up to 25%). Consequently, a sensitivity analysis of selected input and model parameters was performed. We first examined the shape of the model's error function (RMS error between modeled and measured spectra) over a large range of endmember weight fractions and particle diameters and found that there was a single global minimum for each mixture (rather than local minima). The minimum was sensitive to modeled particle diameter but comparatively insensitive to modeled endmember weight fraction. Derivation of the endmembers' k optical constant spectra using the Hapke model showed differences with the Shkuratov-derived optical constants originally used. Model runs with different sets of optical constants suggest that slight differences in the optical constants used significantly affect the accuracy of model predictions. Even for mixtures where abundance was modeled correctly, particle diameter agreed inconsistently with sieved particle sizes and varied greatly for individual mix within suite. Particle diameter was highly sensitive to the optical constants, possibly indicating that changes in modeled path length (proportional to particle diameter) compensate for changes in the k optical constant. Alternatively, it may not be appropriate to model path length and particle diameter with the same proportionality for all materials. Across mixtures, RMS error increased in proportion to the fraction of the darker endmember. Analyses are ongoing and further studies will investigate the effect of sample hydration, permitted variability in particle size, assumed photometric functions and use of different wavelength ranges on model results. Such studies will advance understanding of how to best apply radiative transfer modeling to geologically complex planetary surfaces. Corresponding authors: eyjolfur88@gmail.com, ehlmann@caltech.edu

Automatic control of finite element models for temperature-controlled radiofrequency ablation

PubMed Central

Haemmerich, Dieter; Webster, John G

2005-01-01

Background The finite element method (FEM) has been used to simulate cardiac and hepatic radiofrequency (RF) ablation. The FEM allows modeling of complex geometries that cannot be solved by analytical methods or finite difference models. In both hepatic and cardiac RF ablation a common control mode is temperature-controlled mode. Commercial FEM packages don't support automating temperature control. Most researchers manually control the applied power by trial and error to keep the tip temperature of the electrodes constant. Methods We implemented a PI controller in a control program written in C++. The program checks the tip temperature after each step and controls the applied voltage to keep temperature constant. We created a closed loop system consisting of a FEM model and the software controlling the applied voltage. The control parameters for the controller were optimized using a closed loop system simulation. Results We present results of a temperature controlled 3-D FEM model of a RITA model 30 electrode. The control software effectively controlled applied voltage in the FEM model to obtain, and keep electrodes at target temperature of 100°C. The closed loop system simulation output closely correlated with the FEM model, and allowed us to optimize control parameters. Discussion The closed loop control of the FEM model allowed us to implement temperature controlled RF ablation with minimal user input. PMID:16018811

Rotor Position Sensorless Control and Its Parameter Sensitivity of Permanent Magnet Motor Based on Model Reference Adaptive System

NASA Astrophysics Data System (ADS)

Ohara, Masaki; Noguchi, Toshihiko

This paper describes a new method for a rotor position sensorless control of a surface permanent magnet synchronous motor based on a model reference adaptive system (MRAS). This method features the MRAS in a current control loop to estimate a rotor speed and position by using only current sensors. This method as well as almost all the conventional methods incorporates a mathematical model of the motor, which consists of parameters such as winding resistances, inductances, and an induced voltage constant. Hence, the important thing is to investigate how the deviation of these parameters affects the estimated rotor position. First, this paper proposes a structure of the sensorless control applied in the current control loop. Next, it proves the stability of the proposed method when motor parameters deviate from the nominal values, and derives the relationship between the estimated position and the deviation of the parameters in a steady state. Finally, some experimental results are presented to show performance and effectiveness of the proposed method.

Influence of primary fragment excitation energy and spin distributions on fission observables

NASA Astrophysics Data System (ADS)

Litaize, Olivier; Thulliez, Loïc; Serot, Olivier; Chebboubi, Abdelaziz; Tamagno, Pierre

2018-03-01

Fission observables in the case of 252Cf(sf) are investigated by exploring several models involved in the excitation energy sharing and spin-parity assignment between primary fission fragments. In a first step the parameters used in the FIFRELIN Monte Carlo code "reference route" are presented: two parameters for the mass dependent temperature ratio law and two constant spin cut-off parameters for light and heavy fragment groups respectively. These parameters determine the initial fragment entry zone in excitation energy and spin-parity (E*, Jπ). They are chosen to reproduce the light and heavy average prompt neutron multiplicities. When these target observables are achieved all other fission observables can be predicted. We show here the influence of input parameters on the saw-tooth curve and we discuss the influence of a mass and energy-dependent spin cut-off model on gamma-rays related fission observables. The part of the model involving level densities, neutron transmission coefficients or photon strength functions remains unchanged.

Integration of Harvest and Time-to-Event Data Used to Estimate Demographic Parameters for White-tailed Deer

NASA Astrophysics Data System (ADS)

Norton, Andrew S.

An integral component of managing game species is an understanding of population dynamics and relative abundance. Harvest data are frequently used to estimate abundance of white-tailed deer. Unless harvest age-structure is representative of the population age-structure and harvest vulnerability remains constant from year to year, these data alone are of limited value. Additional model structure and auxiliary information has accommodated this shortcoming. Specifically, integrated age-at-harvest (AAH) state-space population models can formally combine multiple sources of data, and regularization via hierarchical model structure can increase flexibility of model parameters. I collected known fates data, which I evaluated and used to inform trends in survival parameters for an integrated AAH model. I used temperature and snow depth covariates to predict survival outside of the hunting season, and opening weekend temperature and percent of corn harvest covariates to predict hunting season survival. When auxiliary empirical data were unavailable for the AAH model, moderately informative priors provided sufficient information for convergence and parameter estimates. The AAH model was most sensitive to errors in initial abundance, but this error was calibrated after 3 years. Among vital rates, the AAH model was most sensitive to reporting rates (percentage of mortality during the hunting season related to harvest). The AAH model, using only harvest data, was able to track changing abundance trends due to changes in survival rates even when prior models did not inform these changes (i.e. prior models were constant when truth varied). I also compared AAH model results with estimates from the Wisconsin Department of Natural Resources (WIDNR). Trends in abundance estimates from both models were similar, although AAH model predictions were systematically higher than WIDNR estimates in the East study area. When I incorporated auxiliary information (i.e. integrated AAH model) about survival outside the hunting season from known fates data, predicted trends appeared more closely related to what was expected. Disagreements between the AAH model and WIDNR estimates in the East were likely related to biased predictions for reporting and survival rates from the AAH model.

Relative sensitivities of DCE-MRI pharmacokinetic parameters to arterial input function (AIF) scaling.

PubMed

Li, Xin; Cai, Yu; Moloney, Brendan; Chen, Yiyi; Huang, Wei; Woods, Mark; Coakley, Fergus V; Rooney, William D; Garzotto, Mark G; Springer, Charles S

2016-08-01

Dynamic-Contrast-Enhanced Magnetic Resonance Imaging (DCE-MRI) has been used widely for clinical applications. Pharmacokinetic modeling of DCE-MRI data that extracts quantitative contrast reagent/tissue-specific model parameters is the most investigated method. One of the primary challenges in pharmacokinetic analysis of DCE-MRI data is accurate and reliable measurement of the arterial input function (AIF), which is the driving force behind all pharmacokinetics. Because of effects such as inflow and partial volume averaging, AIF measured from individual arteries sometimes require amplitude scaling for better representation of the blood contrast reagent (CR) concentration time-courses. Empirical approaches like blinded AIF estimation or reference tissue AIF derivation can be useful and practical, especially when there is no clearly visible blood vessel within the imaging field-of-view (FOV). Similarly, these approaches generally also require magnitude scaling of the derived AIF time-courses. Since the AIF varies among individuals even with the same CR injection protocol and the perfect scaling factor for reconstructing the ground truth AIF often remains unknown, variations in estimated pharmacokinetic parameters due to varying AIF scaling factors are of special interest. In this work, using simulated and real prostate cancer DCE-MRI data, we examined parameter variations associated with AIF scaling. Our results show that, for both the fast-exchange-limit (FXL) Tofts model and the water exchange sensitized fast-exchange-regime (FXR) model, the commonly fitted CR transfer constant (K(trans)) and the extravascular, extracellular volume fraction (ve) scale nearly proportionally with the AIF, whereas the FXR-specific unidirectional cellular water efflux rate constant, kio, and the CR intravasation rate constant, kep, are both AIF scaling insensitive. This indicates that, for DCE-MRI of prostate cancer and possibly other cancers, kio and kep may be more suitable imaging biomarkers for cross-platform, multicenter applications. Data from our limited study cohort show that kio correlates with Gleason scores, suggesting that it may be a useful biomarker for prostate cancer disease progression monitoring. Copyright © 2016 Elsevier Inc. All rights reserved.

Modeling nitrate-nitrogen removal process in first-flush reactor for stormwater treatment.

PubMed

Deng, Zhiqiang; Sun, Shaowei; Gang, Daniel Dianchen

2012-08-01

Stormwater runoff is one of the most common non-point sources of water pollution to rivers, lakes, estuaries, and coastal beaches. While most pollutants and nutrients, including nitrate-nitrogen, in stormwater are discharged into receiving waters during the first-flush period, no existing best management practices (BMPs) are specifically designed to capture and treat the first-flush portion of urban stormwater runoff. This paper presents a novel BMP device for highway and urban stormwater treatment with emphasis on numerical modeling of the new BMP, called first-flush reactor (FFR). A new model, called VART-DN model, for simulation of denitrification process in the designed first-flush reactor was developed using the variable residence time (VART) model. The VART-DN model is capable of simulating various processes and mechanisms responsible for denitrification in the FFR. Based on sensitivity analysis results of model parameters, the denitrification process is sensitive to the temperature correction factor (b), maximum nitrate-nitrogen decay rate (K (max)), actual varying residence time (T (v)), the constant decay rate of denitrifiying bacteria (v (dec)), temperature (T), biomass inhibition constant (K (b)), maximum growth rate of denitrifiying bacteria (v (max)), denitrifying bacteria concentration (X), longitudinal dispersion coefficient (K (s)), and half-saturation constant of dissolved carbon for biomass (K (Car-X)); a 10% increase in the model parameter values causes a change in model root mean square error (RMSE) of -28.02, -16.16, -12.35, 11.44, -9.68, 10.61, -16.30, -9.27, 6.58 and 3.89%, respectively. The VART-DN model was tested using the data from laboratory experiments conducted using highway stormwater and secondary wastewater. Model results for the denitrification process of highway stormwater showed a good agreement with observed data and the simulation error was less than 9.0%. The RMSE and the coefficient of determination for simulating denitrification process of wastewater were 0.5167 and 0.6912, respectively, demonstrating the efficacy of the VART-DN model.

Theoretical rate constants of super-exchange hole transfer and thermally induced hopping in DNA.

PubMed

Shimazaki, Tomomi; Asai, Yoshihiro; Yamashita, Koichi

2005-01-27

Recently, the electronic properties of DNA have been extensively studied, because its conductivity is important not only to the study of fundamental biological problems, but also in the development of molecular-sized electronics and biosensors. We have studied theoretically the reorganization energies, the activation energies, the electronic coupling matrix elements, and the rate constants of hole transfer in B-form double-helix DNA in water. To accommodate the effects of DNA nuclear motions, a subset of reaction coordinates for hole transfer was extracted from classical molecular dynamics (MD) trajectories of DNA in water and then used for ab initio quantum chemical calculations of electron coupling constants based on the generalized Mulliken-Hush model. A molecular mechanics (MM) method was used to determine the nuclear Franck-Condon factor. The rate constants for two types of mechanisms of hole transfer-the thermally induced hopping (TIH) and the super-exchange mechanisms-were determined based on Marcus theory. We found that the calculated matrix elements are strongly dependent on the conformations of the nucleobase pairs of hole-transferable DNA and extend over a wide range of values for the "rise" base-step parameter but cluster around a particular value for the "twist" parameter. The calculated activation energies are in good agreement with experimental results. Whereas the rate constant for the TIH mechanism is not dependent on the number of A-T nucleobase pairs that act as a bridge, the rate constant for the super-exchange process rapidly decreases when the length of the bridge increases. These characteristic trends in the calculated rate constants effectively reproduce those in the experimental data of Giese et al. [Nature 2001, 412, 318]. The calculated rate constants were also compared with the experimental results of Lewis et al. [Nature 2000, 406, 51].

Estimating model parameters for an impact-produced shock-wave simulation: Optimal use of partial data with the extended Kalman filter

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

Kao, Jim; Flicker, Dawn; Ide, Kayo

2006-05-20

This paper builds upon our recent data assimilation work with the extended Kalman filter (EKF) method [J. Kao, D. Flicker, R. Henninger, S. Frey, M. Ghil, K. Ide, Data assimilation with an extended Kalman filter for an impact-produced shock-wave study, J. Comp. Phys. 196 (2004) 705-723.]. The purpose is to test the capability of EKF in optimizing a model's physical parameters. The problem is to simulate the evolution of a shock produced through a high-speed flyer plate. In the earlier work, we have showed that the EKF allows one to estimate the evolving state of the shock wave from amore » single pressure measurement, assuming that all model parameters are known. In the present paper, we show that imperfectly known model parameters can also be estimated accordingly, along with the evolving model state, from the same single measurement. The model parameter optimization using the EKF can be achieved through a simple modification of the original EKF formalism by including the model parameters into an augmented state variable vector. While the regular state variables are governed by both deterministic and stochastic forcing mechanisms, the parameters are only subject to the latter. The optimally estimated model parameters are thus obtained through a unified assimilation operation. We show that improving the accuracy of the model parameters also improves the state estimate. The time variation of the optimized model parameters results from blending the data and the corresponding values generated from the model and lies within a small range, of less than 2%, from the parameter values of the original model. The solution computed with the optimized parameters performs considerably better and has a smaller total variance than its counterpart using the original time-constant parameters. These results indicate that the model parameters play a dominant role in the performance of the shock-wave hydrodynamic code at hand.« less

[Comparison of three stand-level biomass estimation methods].

PubMed

Dong, Li Hu; Li, Feng Ri

2016-12-01

At present, the forest biomass methods of regional scale attract most of attention of the researchers, and developing the stand-level biomass model is popular. Based on the forestry inventory data of larch plantation (Larix olgensis) in Jilin Province, we used non-linear seemly unrelated regression (NSUR) to estimate the parameters in two additive system of stand-level biomass equations, i.e., stand-level biomass equations including the stand variables and stand biomass equations including the biomass expansion factor (i.e., Model system 1 and Model system 2), listed the constant biomass expansion factor for larch plantation and compared the prediction accuracy of three stand-level biomass estimation methods. The results indicated that for two additive system of biomass equations, the adjusted coefficient of determination (R a 2 ) of the total and stem equations was more than 0.95, the root mean squared error (RMSE), the mean prediction error (MPE) and the mean absolute error (MAE) were smaller. The branch and foliage biomass equations were worse than total and stem biomass equations, and the adjusted coefficient of determination (R a 2 ) was less than 0.95. The prediction accuracy of a constant biomass expansion factor was relatively lower than the prediction accuracy of Model system 1 and Model system 2. Overall, although stand-level biomass equation including the biomass expansion factor belonged to the volume-derived biomass estimation method, and was different from the stand biomass equations including stand variables in essence, but the obtained prediction accuracy of the two methods was similar. The constant biomass expansion factor had the lower prediction accuracy, and was inappropriate. In addition, in order to make the model parameter estimation more effective, the established stand-level biomass equations should consider the additivity in a system of all tree component biomass and total biomass equations.

Optimal Electrodynamic Tether Phasing Maneuvers

NASA Technical Reports Server (NTRS)

Bitzer, Matthew S.; Hall, Christopher D.

2007-01-01

We study the minimum-time orbit phasing maneuver problem for a constant-current electrodynamic tether (EDT). The EDT is assumed to be a point mass and the electromagnetic forces acting on the tether are always perpendicular to the local magnetic field. After deriving and non-dimensionalizing the equations of motion, the only input parameters become current and the phase angle. Solution examples, including initial Lagrange costates, time of flight, thrust plots, and thrust angle profiles, are given for a wide range of current magnitudes and phase angles. The two-dimensional cases presented use a non-tilted magnetic dipole model, and the solutions are compared to existing literature. We are able to compare similar trajectories for a constant thrust phasing maneuver and we find that the time of flight is longer for the constant thrust case with similar initial thrust values and phase angles. Full three-dimensional solutions, which use a titled magnetic dipole model, are also analyzed for orbits with small inclinations.

Temperature-dependent ac conductivity and dielectric response of vanadium doped CaCu3Ti4O12 ceramic

NASA Astrophysics Data System (ADS)

Sen, A.; Maiti, U. N.; Thapa, R.; Chattopadhyay, K. K.

2011-09-01

Successful incorporation of vanadium dopant within the giant dielectric material CaCu 3Ti 4O12 (CCTO) through a conventional solid-state sintering process is achieved and its influence on the dielectric as well as electrical properties as a function of temperature and frequency is reported here. Proper crystalline phase formation together with dopant induced lattice constant shrinkage was confirmed through X-ray diffraction. The temperature dependence of the dielectric constant at different constant frequencies was investigated. We infer that the correlated barrier hopping (CBH) model is dominant in the conduction mechanism of the ceramic as per the temperature-dependent ac conductivity measurements. The electronic parameters such as density of the states at the Fermi level, N( E f) and hopping distance, R ω of the ceramic were also calculated using this model.

Semiclassical Calculation of Reaction Rate Constants for Homolytical Dissociations

NASA Technical Reports Server (NTRS)

Cardelino, Beatriz H.

2002-01-01

There is growing interest in extending organometallic chemical vapor deposition (OMCVD) to III-V materials that exhibit large thermal decomposition at their optimum growth temperature, such as indium nitride. The group III nitrides are candidate materials for light-emitting diodes and semiconductor lasers operating into the blue and ultraviolet regions. To overcome decomposition of the deposited compound, the reaction must be conducted at high pressures, which causes problems of uniformity. Microgravity may provide the venue for maintaining conditions of laminar flow under high pressure. Since the selection of optimized parameters becomes crucial when performing experiments in microgravity, efforts are presently geared to the development of computational OMCVD models that will couple the reactor fluid dynamics with its chemical kinetics. In the present study, we developed a method to calculate reaction rate constants for the homolytic dissociation of III-V compounds for modeling OMCVD. The method is validated by comparing calculations with experimental reaction rate constants.

Applying constraints on model-based methods: Estimation of rate constants in a second order consecutive reaction

NASA Astrophysics Data System (ADS)

Kompany-Zareh, Mohsen; Khoshkam, Maryam

2013-02-01

This paper describes estimation of reaction rate constants and pure ultraviolet/visible (UV-vis) spectra of the component involved in a second order consecutive reaction between Ortho-Amino benzoeic acid (o-ABA) and Diazoniom ions (DIAZO), with one intermediate. In the described system, o-ABA was not absorbing in the visible region of interest and thus, closure rank deficiency problem did not exist. Concentration profiles were determined by solving differential equations of the corresponding kinetic model. In that sense, three types of model-based procedures were applied to estimate the rate constants of the kinetic system, according to Levenberg/Marquardt (NGL/M) algorithm. Original data-based, Score-based and concentration-based objective functions were included in these nonlinear fitting procedures. Results showed that when there is error in initial concentrations, accuracy of estimated rate constants strongly depends on the type of applied objective function in fitting procedure. Moreover, flexibility in application of different constraints and optimization of the initial concentrations estimation during the fitting procedure were investigated. Results showed a considerable decrease in ambiguity of obtained parameters by applying appropriate constraints and adjustable initial concentrations of reagents.

Dielectric constant and low-frequency infrared spectra for liquid water and ice Ih within the E3B model

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

Shi, L.; Ni, Y.; Drews, S. E. P.

2014-08-28

Two intrinsic difficulties in modeling condensed-phase water with conventional rigid non-polarizable water models are: reproducing the static dielectric constants for liquid water and ice Ih, and generating the peak at about 200 cm{sup −1} in the low-frequency infrared spectrum for liquid water. The primary physical reason for these failures is believed to be the missing polarization effect in these models, and consequently various sophisticated polarizable water models have been developed. However, in this work we pursue a different strategy and propose a simple empirical scheme to include the polarization effect only on the dipole surface (without modifying a model's intermolecularmore » interaction potential). We implement this strategy for our explicit three-body (E3B) model. Our calculated static dielectric constants and low-frequency infrared spectra are in good agreement with experiment for both liquid water and ice Ih over wide temperature ranges, albeit with one fitting parameter for each phase. The success of our modeling also suggests that thermal fluctuations about local minima and the energy differences between different proton-disordered configurations play minor roles in the static dielectric constant of ice Ih. Our analysis shows that the polarization effect is important in resolving the two difficulties mentioned above and sheds some light on the origin of several features in the low-frequency infrared spectra for liquid water and ice Ih.« less

Inter-individual variability in the patterns of responses for electromyography and mechanomyography during cycle ergometry using an RPE-clamp model.

PubMed

Cochrane-Snyman, Kristen C; Housh, Terry J; Smith, Cory M; Hill, Ethan C; Jenkins, Nathaniel D M; Schmidt, Richard J; Johnson, Glen O

2016-09-01

To examine inter-individual variability versus composite models for the patterns of responses for electromyography (EMG) and mechanomyography (MMG) versus time relationships during moderate and heavy cycle ergometry using a rating of perceived exertion (RPE) clamp model. EMG amplitude (amplitude root-mean-square, RMS), EMG mean power frequency (MPF), MMG-RMS, and MMG-MPF were collected during two, 60-min rides at a moderate (RPE at the gas exchange threshold; RPEGET) and heavy (RPE at 15 % above the GET; RPEGET+15 %) intensity when RPE was held constant (clamped). Composite (mean) and individual responses for EMG and MMG parameters were compared during each 60-min ride. There was great inter-individual variability for each EMG and MMG parameters at RPEGET and RPEGET+15 %. Composite models showed decreases in EMG-RMS (r (2) = -0.92 and R (2) = 0.96), increases in EMG-MPF (R (2) = 0.90), increases in MMG-RMS (r (2) = 0.81 and 0.55), and either no change or a decrease (r (2) = 0.34) in MMG-MPF at RPEGET and RPEGET+15 %, respectively. The results of the present study indicated that there were differences between composite and individual patterns of responses for EMG and MMG parameters during moderate and heavy cycle ergometry at a constant RPE. Thus, composite models did not represent the unique muscle activation strategies exhibited by individual responses when cycling in the moderate and heavy intensity domains when using an RPE-clamp model.

A computer program (MODFLOWP) for estimating parameters of a transient, three-dimensional ground-water flow model using nonlinear regression

USGS Publications Warehouse

Hill, Mary Catherine

1992-01-01

This report documents a new version of the U.S. Geological Survey modular, three-dimensional, finite-difference, ground-water flow model (MODFLOW) which, with the new Parameter-Estimation Package that also is documented in this report, can be used to estimate parameters by nonlinear regression. The new version of MODFLOW is called MODFLOWP (pronounced MOD-FLOW*P), and functions nearly identically to MODFLOW when the ParameterEstimation Package is not used. Parameters are estimated by minimizing a weighted least-squares objective function by the modified Gauss-Newton method or by a conjugate-direction method. Parameters used to calculate the following MODFLOW model inputs can be estimated: Transmissivity and storage coefficient of confined layers; hydraulic conductivity and specific yield of unconfined layers; vertical leakance; vertical anisotropy (used to calculate vertical leakance); horizontal anisotropy; hydraulic conductance of the River, Streamflow-Routing, General-Head Boundary, and Drain Packages; areal recharge rates; maximum evapotranspiration; pumpage rates; and the hydraulic head at constant-head boundaries. Any spatial variation in parameters can be defined by the user. Data used to estimate parameters can include existing independent estimates of parameter values, observed hydraulic heads or temporal changes in hydraulic heads, and observed gains and losses along head-dependent boundaries (such as streams). Model output includes statistics for analyzing the parameter estimates and the model; these statistics can be used to quantify the reliability of the resulting model, to suggest changes in model construction, and to compare results of models constructed in different ways.

Dependence of tropical cyclone development on coriolis parameter: A theoretical model

NASA Astrophysics Data System (ADS)

Deng, Liyuan; Li, Tim; Bi, Mingyu; Liu, Jia; Peng, Melinda

2018-03-01

A simple theoretical model was formulated to investigate how tropical cyclone (TC) intensification depends on the Coriolis parameter. The theoretical framework includes a two-layer free atmosphere and an Ekman boundary layer at the bottom. The linkage between the free atmosphere and the boundary layer is through the Ekman pumping vertical velocity in proportion to the vorticity at the top of the boundary layer. The closure of this linear system assumes a simple relationship between the free atmosphere diabatic heating and the boundary layer moisture convergence. Under a set of realistic atmospheric parameter values, the model suggests that the most preferred latitude for TC development is around 5° without considering other factors. The theoretical result is confirmed by high-resolution WRF model simulations in a zero-mean flow and a constant SST environment on an f -plane with different Coriolis parameters. Given an initially balanced weak vortex, the TC-like vortex intensifies most rapidly at the reference latitude of 5°. Thus, the WRF model simulations confirm the f-dependent characteristics of TC intensification rate as suggested by the theoretical model.

Estimation of parameters of constant elasticity of substitution production functional model

NASA Astrophysics Data System (ADS)

Mahaboob, B.; Venkateswarlu, B.; Sankar, J. Ravi

2017-11-01

Nonlinear model building has become an increasing important powerful tool in mathematical economics. In recent years the popularity of applications of nonlinear models has dramatically been rising up. Several researchers in econometrics are very often interested in the inferential aspects of nonlinear regression models [6]. The present research study gives a distinct method of estimation of more complicated and highly nonlinear model viz Constant Elasticity of Substitution (CES) production functional model. Henningen et.al [5] proposed three solutions to avoid serious problems when estimating CES functions in 2012 and they are i) removing discontinuities by using the limits of the CES function and its derivative. ii) Circumventing large rounding errors by local linear approximations iii) Handling ill-behaved objective functions by a multi-dimensional grid search. Joel Chongeh et.al [7] discussed the estimation of the impact of capital and labour inputs to the gris output agri-food products using constant elasticity of substitution production function in Tanzanian context. Pol Antras [8] presented new estimates of the elasticity of substitution between capital and labour using data from the private sector of the U.S. economy for the period 1948-1998.

Analysis of dark energy models in DGP braneworld

NASA Astrophysics Data System (ADS)

Jawad, Abdul

2015-12-01

In this paper, we reconsider the accelerated expansion phenomenon in the DGP braneworld scenario which leads to an accelerated universe without cosmological constant or other form of dark energy for the positive branch (ɛ= +1) which is not more attractive model. Thus, we assume the DGP braneworld scenario with (ɛ= -1) and also interacting Hubble and event horizons pilgrim dark energy models. We extract various cosmological parameters in this scenario and displayed our results with respect to redshift parameter. It is found that the ranges of Hubble parameter are coincided with observational results. The equation of state parameter lies within the suggested ranges of different observational schemes. The squared speed of sound shows stability for all present models in DGP braneworld scenario. The ω_{\\vartheta}-ω'_{\\vartheta} planes lie in the range (ω_{\\vartheta}=-1.13^{+0.24}_{-0.25},ω'_{\\vartheta}<1.32) which has been obtained through different observational schemes. It is remarked that our results of various cosmological parameters shows consistency with different observational data like Planck, WP, BAO, H0 and SNLS.

Parameter Estimation in Atmospheric Data Sets

NASA Technical Reports Server (NTRS)

Wenig, Mark; Colarco, Peter

2004-01-01

In this study the structure tensor technique is used to estimate dynamical parameters in atmospheric data sets. The structure tensor is a common tool for estimating motion in image sequences. This technique can be extended to estimate other dynamical parameters such as diffusion constants or exponential decay rates. A general mathematical framework was developed for the direct estimation of the physical parameters that govern the underlying processes from image sequences. This estimation technique can be adapted to the specific physical problem under investigation, so it can be used in a variety of applications in trace gas, aerosol, and cloud remote sensing. As a test scenario this technique will be applied to modeled dust data. In this case vertically integrated dust concentrations were used to derive wind information. Those results can be compared to the wind vector fields which served as input to the model. Based on this analysis, a method to compute atmospheric data parameter fields will be presented. .

Well hydraulics in pumping tests with exponentially decayed rates of abstraction in confined aquifers

NASA Astrophysics Data System (ADS)

Wen, Zhang; Zhan, Hongbin; Wang, Quanrong; Liang, Xing; Ma, Teng; Chen, Chen

2017-05-01

Actual field pumping tests often involve variable pumping rates which cannot be handled by the classical constant-rate or constant-head test models, and often require a convolution process to interpret the test data. In this study, we proposed a semi-analytical model considering an exponentially decreasing pumping rate started at a certain (higher) rate and eventually stabilized at a certain (lower) rate for cases with or without wellbore storage. A striking new feature of the pumping test with an exponentially decayed rate is that the drawdowns will decrease over a certain period of time during intermediate pumping stage, which has never been seen before in constant-rate or constant-head pumping tests. It was found that the drawdown-time curve associated with an exponentially decayed pumping rate function was bounded by two asymptotic curves of the constant-rate tests with rates equaling to the starting and stabilizing rates, respectively. The wellbore storage must be considered for a pumping test without an observation well (single-well test). Based on such characteristics of the time-drawdown curve, we developed a new method to estimate the aquifer parameters by using the genetic algorithm.

CONSTRAINTS ON HYBRID METRIC-PALATINI GRAVITY FROM BACKGROUND EVOLUTION

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

Lima, N. A.; Barreto, V. S., E-mail: ndal@roe.ac.uk, E-mail: vsm@roe.ac.uk

2016-02-20

In this work, we introduce two models of the hybrid metric-Palatini theory of gravitation. We explore their background evolution, showing explicitly that one recovers standard General Relativity with an effective cosmological constant at late times. This happens because the Palatini Ricci scalar evolves toward and asymptotically settles at the minimum of its effective potential during cosmological evolution. We then use a combination of cosmic microwave background, supernovae, and baryonic accoustic oscillations background data to constrain the models’ free parameters. For both models, we are able to constrain the maximum deviation from the gravitational constant G one can have at earlymore » times to be around 1%.« less

DCE-MRI of hepatocellular carcinoma: perfusion quantification with Tofts model versus shutter-speed model--initial experience.

PubMed

Jajamovich, Guido H; Huang, Wei; Besa, Cecilia; Li, Xin; Afzal, Aneela; Dyvorne, Hadrien A; Taouli, Bachir

2016-02-01

To quantify hepatocellular carcinoma (HCC) perfusion and flow with the fast exchange regime-allowed Shutter-Speed model (SSM) compared to the Tofts model (TM). In this prospective study, 25 patients with HCC underwent DCE-MRI. ROIs were placed in liver parenchyma, portal vein, aorta and HCC lesions. Signal intensities were analyzed employing dual-input TM and SSM models. ART (arterial fraction), K (trans) (contrast agent transfer rate constant from plasma to extravascular extracellular space), ve (extravascular extracellular volume fraction), kep (contrast agent intravasation rate constant), and τi (mean intracellular water molecule lifetime) were compared between liver parenchyma and HCC, and ART, K (trans), v e and k ep were compared between models using Wilcoxon tests and limits of agreement. Test-retest reproducibility was assessed in 10 patients. ART and v e obtained with TM; ART, ve, ke and τi obtained with SSM were significantly different between liver parenchyma and HCC (p < 0.04). Parameters showed variable reproducibility (CV range 14.7-66.5% for both models). Liver K (trans) and ve; HCC ve and kep were significantly different when estimated with the two models (p < 0.03). Our results show differences when computed between the TM and the SSM. However, these differences are smaller than parameter reproducibilities and may be of limited clinical significance.

Proton-neutron sdg boson model and spherical-deformed phase transition

NASA Astrophysics Data System (ADS)

Otsuka, Takaharu; Sugita, Michiaki

1988-12-01

The spherical-deformed phase transition in nuclei is described in terms of the proton-neutron sdg interacting boson model. The sdg hamiltonian is introduced to model the pairing+quadrupole interaction. The phase transition is reproduced in this framework as a function of the boson number in the Sm isotopes, while all parameters in the hamiltonian are kept constant at values reasonable from the shell-model point of view. The sd IBM is derived from this model through the renormalization of g-boson effects.

An epidemiological model with vaccination strategies

NASA Astrophysics Data System (ADS)

Prates, Dérek B.; Silva, Jaqueline M.; Gomes, Jessica L.; Kritz, Maurício V.

2016-06-01

Mathematical models can be widely found in the literature describing epidemics. The epidemical models that use differential equations to represent mathematically such description are especially sensible to parameters. This work analyze a variation of the SIR model when applied to a epidemic scenario including several aspects, as constant vaccination, pulse vaccination, seasonality, cross-immunity factor, birth and dead rate. The analysis and results are performed through numerical solutions of the model and a special attention is given to the discussion generated by the paramenters variation.

Dynamic Characteristics of The DSI-Type Constant-Flow Valves

NASA Astrophysics Data System (ADS)

Kang, Yuan; Hu, Sheng-Yan; Chou, Hsien-Chin; Lee, Hsing-Han

Constant flow valves have been presented in industrial applications or academic studies, which compensate recess pressures of a hydrostatic bearing to resist load fluctuating. The flow rate of constant-flow valves can be constant in spite of the pressure changes in recesses, however the design parameters must be specified. This paper analyzes the dynamic responses of DSI-type constant-flow valves that is designed as double pistons on both ends of a spool with single feedback of working pressure and regulating restriction at inlet. In this study the static analysis presents the specific relationships among design parameters for constant flow rate and the dynamic analyses give the variations around the constant flow rate as the working pressure fluctuates.

Orbit control of a stratospheric satellite with parameter uncertainties

NASA Astrophysics Data System (ADS)

Xu, Ming; Huo, Wei

2016-12-01

When a stratospheric satellite travels by prevailing winds in the stratosphere, its cross-track displacement needs to be controlled to keep a constant latitude orbital flight. To design the orbit control system, a 6 degree-of-freedom (DOF) model of the satellite is established based on the second Lagrangian formulation, it is proven that the input/output feedback linearization theory cannot be directly implemented for the orbit control with this model, thus three subsystem models are deduced from the 6-DOF model to develop a sequential nonlinear control strategy. The control strategy includes an adaptive controller for the balloon-tether subsystem with uncertain balloon parameters, a PD controller based on feedback linearization for the tether-sail subsystem, and a sliding mode controller for the sail-rudder subsystem with uncertain sail parameters. Simulation studies demonstrate that the proposed control strategy is robust to uncertainties and satisfies high precision requirements for the orbit flight of the satellite.

Electromagnetic reflection from multi-layered snow models

NASA Technical Reports Server (NTRS)

Linlor, W. I.; Jiracek, G. R.

1975-01-01

The remote sensing of snow-pack characteristics with surface installations or an airborne system could have important applications in water-resource management and flood prediction. To derive some insight into such applications, the electromagnetic response of multilayered snow models is analyzed in this paper. Normally incident plane waves at frequencies ranging from 1 MHz to 10 GHz are assumed, and amplitude reflection coefficients are calculated for models having various snow-layer combinations, including ice layers. Layers are defined by thickness, permittivity, and conductivity; the electrical parameters are constant or prescribed functions of frequency. To illustrate the effect of various layering combinations, results are given in the form of curves of amplitude reflection coefficients versus frequency for a variety of models. Under simplifying assumptions, the snow thickness and effective dielectric constant can be estimated from the variations of reflection coefficient as a function of frequency.

Constraints on a new post-general relativity cosmological parameter

NASA Astrophysics Data System (ADS)

Caldwell, Robert; Cooray, Asantha; Melchiorri, Alessandro

2007-07-01

A new cosmological variable is introduced to characterize the degree of departure from Einstein’s general relativity with a cosmological constant. The new parameter, ϖ, is the cosmological analog of γ, the parametrized post-Newtonian variable which measures the amount of spacetime curvature per unit mass. In the cosmological context, ϖ measures the difference between the Newtonian and longitudinal potentials in response to the same matter sources, as occurs in certain scalar-tensor theories of gravity. Equivalently, ϖ measures the scalar shear fluctuation in a dark-energy component. In the context of a vanilla, cosmological constant-dominated universe, a nonzero ϖ signals a departure from general relativity or a fluctuating cosmological constant. Using a phenomenological model for the time evolution ϖ=ϖ0ρDE/ρM which depends on the ratio of energy density in the cosmological constant to the matter density at each epoch, it is shown that the observed cosmic microwave background temperature anisotropies limit the overall normalization constant to be -0.4<ϖ0<0.1 at the 95% confidence level. Existing measurements of the cross-correlations of the cosmic microwave background with large-scale structure further limit ϖ0>-0.2 at the 95% CL. In the future, integrated Sachs-Wolfe and weak lensing measurements can more tightly constrain ϖ0, providing a valuable clue to the nature of dark energy and the validity of general relativity.

Estimation of hectare-scale soil-moisture characteristics from aquifer-test data

USGS Publications Warehouse

Moench, A.F.

2003-01-01

Analysis of a 72-h, constant-rate aquifer test conducted in a coarse-grained and highly permeable, glacial outwash deposit on Cape Cod, Massachusetts revealed that drawdowns measured in 20 piezometers located at various depths below the water table and distances from the pumped well were significantly influenced by effects of drainage from the vadose zone. The influence was greatest in piezometers located close to the water table and diminished with increasing depth. The influence of the vadose zone was evident from a gap, in the intermediate-time zone, between measured drawdowns and drawdowns computed under the assumption that drainage from the vadose zone occurred instantaneously in response to a decline in the elevation of the water table. By means of an analytical model that was designed to account for time-varying drainage, simulated drawdowns could be closely fitted to measured drawdowns regardless of the piezometer locations. Because of the exceptional quality and quantity of the data and the relatively small aquifer heterogeneity, it was possible by inverse modeling to estimate all relevant aquifer parameters and a set of three empirical constants used in the upper-boundary condition to account for the dynamic drainage process. The empirical constants were used to define a one-dimensional (ID) drainage versus time curve that is assumed to be representative of the bulk material overlying the water table. The curve was inverted with a parameter estimation algorithm and a ID numerical model for variably saturated flow to obtain soil-moisture retention curves and unsaturated hydraulic conductivity relationships defined by the Brooks and Corey equations. Direct analysis of the aquifer-test data using a parameter estimation algorithm and a two-dimensional, axisymmetric numerical model for variably saturated flow yielded similar soil-moisture characteristics. Results suggest that hectare-scale soil-moisture characteristics are different from core-scale predictions and even relatively small amounts of fine-grained material and heterogeneity can dominate the large-scale soil-moisture characteristics and aquifer response. ?? 2003 Elsevier B.V. All rights reserved.

The Modeling and Control of Acoustic/Structure Interaction Problems via Piezoceramic Actuators: 2-D Numerical Examples

DTIC Science & Technology

1992-04-01

the voltage applied to the it" patch, K ’ is a parameter which depends on the geometry and piezoceramic...in the state space II L 2(fQ) x L2 (F0 ). Here L2(Q) is the quotient space of L2 over the constant functions. The use of the quotient space results...form of the problem, we also define the Hilbert space V = fti(Q) x H(F 0 ) where h!(Q) is the quotient space of Il’ over the constant functions

Relativistic tests with lunar laser ranging

NASA Astrophysics Data System (ADS)

Hofmann, F.; Müller, J.

2018-02-01

This paper presents the recent version of the lunar laser ranging (LLR) analysis model at the Institut für Erdmessung (IfE), Leibniz Universität Hannover and highlights a few tests of Einstein’s theory of gravitation using LLR data. Investigations related to a possible temporal variation of the gravitational constant, the equivalence principle, the PPN parameters β and γ as well as the geodetic precession were carried out. The LLR analysis model was updated by gravitational effects of the Sun and planets with the Moon as extended body. The higher-order gravitational interaction between Earth and Moon as well as effects of the solid Earth tides on the lunar motion were refined. The basis for the modeled lunar rotation is now a 2-layer core/mantle model according to the DE430 ephemeris. The validity of Einstein’s theory was studied using this updated analysis model and an LLR data set from 1970 to January 2015. Within the estimated accuracies, no deviations from Einstein’s theory are detected. A relative temporal variation of the gravitational constant is estimated as \\dot{G}/G_0=(7.1+/-7.6)×10-14~yr-1 , the test of the equivalence principle gives Δ(m_g/m_i)EM=(-3+/-5)×10-14 and the Nordtvedt parameter \

New Kinematical Constraints on Cosmic Acceleration

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

Rapetti, David; Allen, Steve W.; Amin, Mustafa A.

2007-05-25

We present and employ a new kinematical approach to ''dark energy'' studies. We construct models in terms of the dimensionless second and third derivatives of the scale factor a(t) with respect to cosmic time t, namely the present-day value of the deceleration parameter q{sub 0} and the cosmic jerk parameter, j(t). An elegant feature of this parameterization is that all {Lambda}CDM models have j(t)=1 (constant), which facilitates simple tests for departures from the {Lambda}CDM paradigm. Applying our model to redshift-independent distance measurements, from type Ia supernovae and X-ray cluster gas mass fraction measurements, we obtain clear statistical evidence for amore » late time transition from a decelerating to an accelerating phase. For a flat model with constant jerk, j(t)=j, we measure q{sub 0}=-0.81 {+-} 0.14 and j=2.16 +0.81 -0.75, results that are consistent with {Lambda}CDM at about the 1{sigma} confidence level. In comparison to dynamical analyses, the kinematical approach uses a different model set and employs a minimum of prior information, being independent of any particular gravity theory. The results obtained with this new approach therefore provide important additional information and we argue that both kinematical and dynamical techniques should be employed in future dark energy studies, where possible.« less

Modelling of fluoride removal via batch monopolar electrocoagulation process using aluminium electrodes

NASA Astrophysics Data System (ADS)

Amri, N.; Hashim, M. I.; Ismail, N.; Rohman, F. S.; Bashah, N. A. A.

2017-09-01

Electrocoagulation (EC) is a promising technology that extensively used to remove fluoride ions efficiently from industrial wastewater. However, it has received very little consideration and understanding on mechanism and factors that affecting the fluoride removal process. In order to determine the efficiency of fluoride removal in EC process, the effect of operating parameters such as voltage and electrolysis time were investigated in this study. A batch experiment with monopolar aluminium electrodes was conducted to identify the model of fluoride removal using empirical model equation. The EC process was investigated using several parameters which include voltage (3 - 12 V) and electrolysis time (0 - 60 minutes) at a constant initial fluoride concentration of 25 mg/L. The result shows that the fluoride removal efficiency increased steadily with increasing voltage and electrolysis time. The best fluoride removal efficiency was obtained with 94.8 % removal at 25 mg/L initial fluoride concentration, voltage of 12 V and 60 minutes electrolysis time. The results indicated that the rate constant, k and number of order, n decreased as the voltage increased. The rate of fluoride removal model was developed based on the empirical model equation using the correlation of k and n. Overall, the result showed that EC process can be considered as a potential alternative technology for fluoride removal in wastewater.

Hydrostatic pressure effects on the structural, elastic and thermodynamic properties of the complex transition metal hydrides A2OsH6 (A = Mg, Ca, Sr and Ba)

NASA Astrophysics Data System (ADS)

Souadia, Z.; Bouhemadou, A.; Boudrifa, O.; Bin-Omran, S.; Khenata, R.; Al-Douri, Y.

2017-10-01

We report a systematic first-principles density functional theory study on the pressure dependence of the structural parameters, elastic constants and related properties and thermodynamic properties of the complex transition metal hydrides Mg2OsH6, Ca2OsH6, Sr2OsH6 and Ba2OsH6. The calculated structural parameters are in excellent agreement with the existing data in the scientific literature. The single-crystal elastic constants and related properties were predicted using the stress-strain method. The elastic moduli of the polycrystalline aggregates were evaluated via the Voigt-Reuss-Hill approach. The dependences of the lattice parameter, bulk modulus, volume thermal expansion coefficient, isobaric and isochoric heat capacity and Debye temperature on the pressure and temperature, ranging from 0 to 15 GPa and from 0 to 1000 K, respectively, were investigated using the quasi-harmonic Debye model in combination with first-principles calculations.

Traveltime inversion and error analysis for layered anisotropy

NASA Astrophysics Data System (ADS)

Jiang, Fan; Zhou, Hua-wei

2011-02-01

While tilted transverse isotropy (TTI) is a good approximation of the velocity structure for many dipping and fractured strata, it is still challenging to estimate anisotropic depth models even when the tilted angle is known. With the assumption of weak anisotropy, we present a TTI traveltime inversion approach for models consisting of several thickness-varying layers where the anisotropic parameters are constant for each layer. For each model layer the inversion variables consist of the anisotropic parameters ɛ and δ, the tilted angle φ of its symmetry axis, layer velocity along the symmetry axis, and thickness variation of the layer. Using this method and synthetic data, we evaluate the effects of errors in some of the model parameters on the inverted values of the other parameters in crosswell and Vertical Seismic Profile (VSP) acquisition geometry. The analyses show that the errors in the layer symmetry axes sensitively affect the inverted values of other parameters, especially δ. However, the impact of errors in δ on the inversion of other parameters is much less than the impact on δ from the errors in other parameters. Hence, a practical strategy is first to invert for the most error-tolerant parameter layer velocity, then progressively invert for ɛ in crosswell geometry or δ in VSP geometry.

P-V criticality of conformal gravity holography in four dimensions

NASA Astrophysics Data System (ADS)

Pradhan, Parthapratim

2018-02-01

We examine the critical behavior, i.e. P-V criticality of conformal gravity (CG) in an extended phase space in which the cosmological constant should be interpreted as a thermodynamic pressure and the corresponding conjugate quantity as a thermodynamic volume. The main potential point of interest in CG is that there exists a nontrivial Rindler parameter (a) in the spacetime geometry. This geometric parameter has an important role to construct a model for gravity at large distances where the parameter “a” actually originates. We also investigate the effect of the said parameter on the black hole (BH) thermodynamic equation of state, critical constants, Reverse Isoperimetric Inequality, first law of thermodynamics, Hawking-Page phase transition and Gibbs free energy for this BH. We speculate that due to the presence of the said parameter, there has been a deformation in the shape of the isotherms in the P-V diagram in comparison with the charged-anti de Sitter (AdS) BH and the chargeless-AdS BH. Interestingly, we find that the critical ratio for this BH is ρc = Pcvc Tc = 3 2 32 ‑ 23, which is greater than the charged AdS BH and Schwarzschild-AdS BH, i.e. ρcCG : ρ cSch-AdS : ρ cRN-AdS = 0.67 : 0.50 : 0.37. The symbols are defined in the main work. Moreover, we observe that the critical ratio has a constant value and it is independent of the nontrivial Rindler parameter (a). Finally, we derive the reduced equation of state in terms of the reduced temperature, the reduced volume and the reduced pressure, respectively.

A note on evaluating model tidal currents against observations

NASA Astrophysics Data System (ADS)

Cummins, Patrick F.; Thupaki, Pramod

2018-01-01

The root-mean-square magnitude of the vector difference between modeled and observed tidal ellipses is a comprehensive metric to evaluate the representation of tidal currents in ocean models. A practical expression for this difference is given in terms of the harmonic constants that are routinely used to specify current ellipses for a given tidal constituent. The resulting metric is sensitive to differences in all four current ellipse parameters, including phase.

Temperature and pressure dependent thermodynamic behavior of 2H-CuInO2

NASA Astrophysics Data System (ADS)

Bhamu, K. C.

2018-05-01

Density functional theory and quasi-harmonic Debye model has been used to study the thermodynamic properties of 2H-CuInO2. At the optimized structural parameters, pressure (0 to 80 GPa) dependent variation in the various thermodynamic properties, i.e. unit cell volume (V), bulk modulus (B), specific heat (Cv), Debye temperature (θD), Grüneisen parameter (γ) and thermal expansion coefficient (α) are calculated for various temperature values. The results predict that the pressure has significant effect on unit cell volume and bulk modulus while the temperature shows negligible effect on both parameters. With increasing temperature thermal expansion coefficient increase while with increasing pressure it decreases. The specific heat remains close to zero for ambient pressure and temperature values and it increases with increasing temperature. It is observed that the pressure has high impact on Debye temperature and Grüneisen parameter instead of temperature. Debye temperature and Grüneisen parameter both remains almost constant for the temperature range (0-300K) while Grüneisen parameter decrease with increasing pressure at constant temperature and Debye temperature increases rapidly with increasing pressure. An increase in Debye temperature with respect to pressure shows that the thermal vibration frequency changes rapidly.

DC servomechanism parameter identification: a Closed Loop Input Error approach.

PubMed

Garrido, Ruben; Miranda, Roger

2012-01-01

This paper presents a Closed Loop Input Error (CLIE) approach for on-line parametric estimation of a continuous-time model of a DC servomechanism functioning in closed loop. A standard Proportional Derivative (PD) position controller stabilizes the loop without requiring knowledge on the servomechanism parameters. The analysis of the identification algorithm takes into account the control law employed for closing the loop. The model contains four parameters that depend on the servo inertia, viscous, and Coulomb friction as well as on a constant disturbance. Lyapunov stability theory permits assessing boundedness of the signals associated to the identification algorithm. Experiments on a laboratory prototype allows evaluating the performance of the approach. Copyright © 2011 ISA. Published by Elsevier Ltd. All rights reserved.

Dark energy equation of state parameter and its evolution at low redshift

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

Tripathi, Ashutosh; Sangwan, Archana; Jassal, H.K., E-mail: ashutosh_tripathi@fudan.edu.cn, E-mail: archanakumari@iisermohali.ac.in, E-mail: hkjassal@iisermohali.ac.in

In this paper, we constrain dark energy models using a compendium of observations at low redshifts. We consider the dark energy as a barotropic fluid, with the equation of state a constant as well the case where dark energy equation of state is a function of time. The observations considered here are Supernova Type Ia data, Baryon Acoustic Oscillation data and Hubble parameter measurements. We compare constraints obtained from these data and also do a combined analysis. The combined observational constraints put strong limits on variation of dark energy density with redshift. For varying dark energy models, the range ofmore » parameters preferred by the supernova type Ia data is in tension with the other low redshift distance measurements.« less

Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies: Evaluation Number 18

NASA Technical Reports Server (NTRS)

Burkholder, J. B.; Sander, S. P.; Abbatt, J. P. D.; Barker, J. R.; Huie, R. E.; Kolb, C. E.; Kurylo, M. J.; Orkin, V. L.; Wilmouth, D. M.; Wine, P. H.

2015-01-01

This is the eighteenth in a series of evaluated sets of rate constants, photochemical cross sections, heterogeneous parameters, and thermochemical parameters compiled by the NASA Panel for Data Evaluation. The data are used primarily to model stratospheric and upper tropospheric processes, with particular emphasis on the ozone layer and its possible perturbation by anthropogenic and natural phenomena. The evaluation is available in electronic form from the following Internet URL: http://jpldataeval.jpl.nasa.gov/

An Investigation into Performance Modelling of a Small Gas Turbine Engine

DTIC Science & Technology

2012-10-01

b = Combustor part load constant f = Fuel to mass flow ratio or scale factor h = Enthalpy F = Force P = Pressure T = Temperature W = Mass flow...HP engine performance parameters[5,6] Parameter Condition (ISA, SLS) Value Thrust 108000 rpm 230 N Pressure Ratio 108000 rpm 4 Mass Flow Rate...system. The reasons for removing the electric starter were to ensure uniform flow through the bell- mouth for mass flow rate measurement, eliminate a

Predicting chemical degradation during storage from two successive concentration ratios: Theoretical investigation.

PubMed

Peleg, Micha; Normand, Mark D

2015-09-01

When a vitamin's, pigment's or other food component's chemical degradation follows a known fixed order kinetics, and its rate constant's temperature-dependence follows a two parameter model, then, at least theoretically, it is possible to extract these two parameters from two successive experimental concentration ratios determined during the food's non-isothermal storage. This requires numerical solution of two simultaneous equations, themselves the numerical solutions of two differential rate equations, with a program especially developed for the purpose. Once calculated, these parameters can be used to reconstruct the entire degradation curve for the particular temperature history and predict the degradation curves for other temperature histories. The concept and computation method were tested with simulated degradation under rising and/or falling oscillating temperature conditions, employing the exponential model to characterize the rate constant's temperature-dependence. In computer simulations, the method's predictions were robust against minor errors in the two concentration ratios. The program to do the calculations was posted as freeware on the Internet. The temperature profile can be entered as an algebraic expression that can include 'If' statements, or as an imported digitized time-temperature data file, to be converted into an Interpolating Function by the program. The numerical solution of the two simultaneous equations requires close initial guesses of the exponential model's parameters. Programs were devised to obtain these initial values by matching the two experimental concentration ratios with a generated degradation curve whose parameters can be varied manually with sliders on the screen. These programs too were made available as freeware on the Internet and were tested with published data on vitamin A. Copyright © 2015 Elsevier Ltd. All rights reserved.

Inverse Estimation of Parameters for a Coupled Photosynthesis and Stomatal Conductance Model Using Eddy Covariance Measurements at a Black Spruce Forest in Alaska

NASA Astrophysics Data System (ADS)

Ueyama, M.; Tahara, N.; Iwata, H.; Nagano, H.; Harazono, Y.

2014-12-01

For better understanding high-latitude carbon and water cycles, parameters of a coupled photosynthesis and stomatal conductance big-leaf model (Farquhar et al., 1980; Ball and Berry, 1987; Baldocchi, 1994) were inversely estimated using gross primary productivity (GPP) and evapotranspiration by eddy covariance measurements at a black spruce forest in interior Alaska (Iwata et al., 2012; Ueyama et al., 2014). We developed a sequential optimization method based on a global optimization technique; shuffled complex evolution (SCE-UA) method (Duan et al., 1993). First, photosynthetic parameters (maximum carboxylation and maximum electron transfer rate at 25oC; Vcmax25 and Jmax25) were optimized for GPP, and then stomatal conductance parameters (m and b in the Ball-Berry model) were optimized for evapotranspiration. Based on our optimization, Vcmax25, Jmax25, and m varied seasonally, but b value was almost constant throughout seasons. Vcmax25 and Jmax25 were higher in summer months than other months, which related to understory leaf area index. m was higher in winter months than other months, but did not significantly change throughout the growing season. Our results indicated that simulations using constant ecophysiological parameters could underestimate photosynthesis and evapotranspiration of high-latitude ecosystems. References Ball and Berry, 1987: Progress in Photosynthesis Research, pp 221-224. Baldocchi, 1994: Tree Physiol., 14, 1069-1079. Duan et al., 1993: J. Optimization Theory and Applications, 76, 501-521. Farquhar et al., 1980: Planta, 149, 78-90. Iwata et al., 2012: Agric. For. Meteorol., 161, 107-115. Ueyama et al., 2014: Global Change Biol., 20, 1161-1173.

A reaction limited in vivo dissolution model for the study of drug absorption: Towards a new paradigm for the biopharmaceutic classification of drugs.

PubMed

Macheras, Panos; Iliadis, Athanassios; Melagraki, Georgia

2018-05-30

The aim of this work is to develop a gastrointestinal (GI) drug absorption model based on a reaction limited model of dissolution and consider its impact on the biopharmaceutic classification of drugs. Estimates for the fraction of dose absorbed as a function of dose, solubility, reaction/dissolution rate constant and the stoichiometry of drug-GI fluids reaction/dissolution were derived by numerical solution of the model equations. The undissolved drug dose and the reaction/dissolution rate constant drive the dissolution rate and determine the extent of absorption when high-constant drug permeability throughout the gastrointestinal tract is assumed. Dose is an important element of drug-GI fluids reaction/dissolution while solubility exclusively acts as an upper limit for drug concentrations in the lumen. The 3D plots of fraction of dose absorbed as a function of dose and reaction/dissolution rate constant for highly soluble and low soluble drugs for different "stoichiometries" (0.7, 1.0, 2.0) of the drug-reaction/dissolution with the GI fluids revealed that high extent of absorption was found assuming high drug- reaction/dissolution rate constant and high drug solubility. The model equations were used to simulate in vivo supersaturation and precipitation phenomena. The model developed provides the theoretical basis for the interpretation of the extent of drug's absorption on the basis of the parameters associated with the drug-GI fluids reaction/dissolution. A new paradigm emerges for the biopharmaceutic classification of drugs, namely, a model independent biopharmaceutic classification scheme of four drug categories based on either the fulfillment or not of the current dissolution criteria and the high or low % drug metabolism. Copyright © 2018. Published by Elsevier B.V.

Bayes-Turchin Analysis of Overlapping L-Edges EXAFS Data of Iron

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

Rossner, H. H.; Schmitz, D.; Imperia, P.

2007-02-02

Spin polarized and spin averaged extended x-ray absorption fine structure ((M)EXAFS) data were measured at temperatures of 180 K and 296 K in the soft x-ray energy regime of the overlapping L-edges of an iron film grown on V(110). The absorption coefficients were analyzed with the Bayes-Turchin procedure. The analysis yields the correction function to the atomic-like background-absorption coefficient calculated by FEFF8 and reveals components of atomic EXAFS oscillations. The EXAFS Debye-Waller (DW) parameters were determined. Their split into a thermal and a structural contribution was not possible without theoretical input since the two temperatures in this experiment were notmore » sufficiently far apart from each other and the k range of the data was too small. The a priori values of the thermal contribution to the DW parameters were therefore derived from a force-field model with two spring constants. They were adjusted to DW parameters calculated from Born-von Karman force constants which had been obtained from inelastic neutron scattering. Those two spring constants also nicely reproduce the unprojected vibrational density of states deduced from phonon dispersion curves. The MEXAFS oscillations can be described by the rigid-band model and the L2- and L3-EXAFS components. A negative exchange-related energy is obtained by fitting the MEXAFS signal in the extended energy region. This is in contrast to the predictions of the Hedin-Lundquist functional and the Dirac-Hara functional used in the FEFF8 code.« less

Estimation of kinetics parameters for the adsorption of human serum albumin onto hydroxyapatite-modified silver electrodes by piezoelectric quartz crystal impedance analysis.

PubMed

Tian, Lu; Wei, Wan-Zhi; Mao, You-An

2004-04-01

The adsorption of human serum albumin onto hydroxyapatite-modified silver electrodes has been in situ investigated by utilizing the piezoelectric quartz crystal impedance technique. The changes of equivalent circuit parameters were used to interpret the adsorption process. A kinetic model of two consecutive steps was derived to describe the process and compared with a first-order kinetic model by using residual analysis. The experimental data of frequency shift fitted to the model and kinetics parameters, k1, k2, psi1, psi2 and qr, were obtained. All fitted results were in reasonable agreement with the corresponding experimental results. Two adsorption constants (7.19 kJ mol(-1) and 22.89 kJ mol(-1)) were calculated according to the Arrhenius formula.

Equivalence between the Lovelock-Cartan action and a constrained gauge theory

NASA Astrophysics Data System (ADS)

Junqueira, O. C.; Pereira, A. D.; Sadovski, G.; Santos, T. R. S.; Sobreiro, R. F.; Tomaz, A. A.

2017-04-01

We show that the four-dimensional Lovelock-Cartan action can be derived from a massless gauge theory for the SO(1, 3) group with an additional BRST trivial part. The model is originally composed of a topological sector and a BRST exact piece and has no explicit dependence on the metric, the vierbein or a mass parameter. The vierbein is introduced together with a mass parameter through some BRST trivial constraints. The effect of the constraints is to identify the vierbein with some of the additional fields, transforming the original action into the Lovelock-Cartan one. In this scenario, the mass parameter is identified with Newton's constant, while the gauge field is identified with the spin connection. The symmetries of the model are also explored. Moreover, the extension of the model to a quantum version is qualitatively discussed.

Correlation Between Material Properties of Ferroelectric Thin Films and Design Parameters for Microwave Device Applications: Modeling Examples and Experimental Verification

NASA Technical Reports Server (NTRS)

Miranda, Felix A.; VanKeuls, Fred W.; Subramanyam, Guru; Mueller, Carl H.; Romanofsky, Robert R.; Rosado, Gerardo

2000-01-01

The application of thin ferroelectric films for frequency and phase agile components is the topic of interest of many research groups worldwide. Consequently, proof-of-concepts (POC) of different tunable microwave components using either (HTS, metal)/ferroelectric thin film/dielectric heterostructures or (thick, thin) film "flip-chip" technology have been reported. Either as ferroelectric thin film characterization tools or from the point of view of circuit implementation approach, both configurations have their respective advantages and limitations. However, we believe that because of the progress made so far using the heterostructure (i.e., multilayer) approach, and due to its intrinsic features such as planar configuration and monolithic integration, a study on the correlation of circuit geometry aspects and ferroelectric material properties could accelerate the insertion of this technology into working systems. In this paper, we will discuss our study performed on circuits based on microstrip lines at frequencies above 10 GHz, where the multilayer configuration offers greater ease of insertion due to circuit's size reduction. Modeled results of relevant circuit parameters such as the characteristic impedance, effective dielectric constant, and attenuation as a function of ferroelectric film's dielectric constant, tans, and thickness, will be presented for SrTiO3 and Ba(x)Sr(1-x)TiO3 ferroelectric films. A comparison between the modeled and experimental data for some of these parameters will be presented.

Lattice parameters and stability of the spinel compounds in relation to the ionic radii and electronegativities of constituting chemical elements.

PubMed

Brik, Mikhail G; Suchocki, Andrzej; Kamińska, Agata

2014-05-19

A thorough consideration of the relation between the lattice parameters of 185 binary and ternary spinel compounds, on one side, and ionic radii and electronegativities of the constituting ions, on the other side, allowed for establishing a simple empirical model and finding its linear equation, which links together the above-mentioned quantities. The derived equation gives good agreement between the experimental and modeled values of the lattice parameters in the considered group of spinels, with an average relative error of about 1% only. The proposed model was improved further by separate consideration of several groups of spinels, depending on the nature of the anion (oxygen, sulfur, selenium/tellurium, nitrogen). The developed approach can be efficiently used for prediction of lattice constants for new isostructural materials. In particular, the lattice constants of new hypothetic spinels ZnRE2O4, CdRE2S4, CdRE2Se4 (RE = rare earth elements) are predicted in the present Article. In addition, the upper and lower limits for the variation of the ionic radii, electronegativities, and their certain combinations were established, which can be considered as stability criteria for the spinel compounds. The findings of the present Article offer a systematic overview of the structural properties of spinels and can serve as helpful guides for synthesis of new spinel compounds.

Mathematical estimation of melt depth in conduction mode of laser spot remelting process

NASA Astrophysics Data System (ADS)

Hadi, Iraj

2012-12-01

A one-dimensional mathematical model based on the front tracking method was developed to predict the melt depth as a function of internal and external parameters of laser spot remelting process in conduction mode. Power density, pulse duration, and thermophysical properties of material including thermal diffusivity, melting point, latent heat, and absorption coefficient have been taken into account in the model of this article. By comparing the theoretical results and experimental welding data of commercial pure nickel and titanium plates, the validity of the developed model was examined. Comparison shows a reasonably good agreement between the theory and experiment. For the sake of simplicity, a graphical technique was presented to obtain the melt depth of various materials at any arbitrary amount of power density and pulse duration. In the graphical technique, two dimensionless constants including the Stefan number (Ste) and an introduced constant named laser power factor (LPF) are used. Indeed, all of the internal and external parameters have been gathered in LPF. The effect of power density and pulse duration on the variation of melt depth for different materials such as aluminum, copper, and stainless steel were investigated. Additionally, appropriate expressions were extracted to describe the minimum power density and time to reach melting point in terms of process parameters. A simple expression is also extracted to estimate the thickness of mushy zone for alloys.

Linear and non-linear kinetics in the synthesis and degradation of acrylamide in foods and model systems.

PubMed

Corradini, Maria G; Peleg, Micha

2006-01-01

Isothermal acrylamide formation in foods and asparagine-glucose model systems has ubiquitous features. On a time scale of about 60 min, at temperatures in the approximate range of 120-160 degrees C, the acrylamide concentration-time curve has a characteristic sigmoid shape whose asymptotic level and steepness increases with temperature while the time that corresponds to the inflection point decreases. In the approximate range of 160-200 degrees C, the curve has a clear peak, whose onset, height, width and degree of asymmetry depend on the system's composition and temperature. The synthesis-degradation of acrylamide in model systems has been recently described by traditional kinetic models. They account for the intermediate stages of the process and the fate of reactants involved at different levels of scrutiny. The resulting models have 2-6 rate constants, accounting for both the generation and elimination of the acrylamide. Their temperature dependence has been assumed to obey the Arrhenius equation, i.e., each step in the reaction was considered as having a fixed energy of activation. A proposed alternative is constructing the concentration curve by superimposing a Fermian decay term on a logistic growth function. The resulting model, which is not unique, has five parameters: a hypothetical uninterrupted generation-level, two steepness parameters; of the concentration climbs and fall and two time characteristics; of the acrylamide synthesis and elimination. According to this model, peak concentration is observed only when the two time constants are comparable. The peak's shape and height are determined by the gap between the two time constants and the relative magnitudes of the two "rate" parameters. The concept can be extended to create models of non-isothermal acrylamide formation. The basic assumption, which is yet to be verified experimentally, is that the momentary rate of the acrylamide synthesis or degradation is the isothermal rate at the momentary temperature, at a time that corresponds to its momentary concentration. The theoretical capabilities of a model of this kind are demonstrated with computer simulations. If the described model is correct, then by controlling temperature history, it is possible to reduce the acrylamide while still accomplishing much of the desirable effects of a heat process.

Wiener-Hammerstein system identification - an evolutionary approach

NASA Astrophysics Data System (ADS)

Naitali, Abdessamad; Giri, Fouad

2016-01-01

The problem of identifying parametric Wiener-Hammerstein (WH) systems is addressed within the evolutionary optimisation context. Specifically, a hybrid culture identification method is developed that involves model structure adaptation using genetic recombination and model parameter learning using particle swarm optimisation. The method enjoys three interesting features: (1) the risk of premature convergence of model parameter estimates to local optima is significantly reduced, due to the constantly maintained diversity of model candidates; (2) no prior knowledge is needed except for upper bounds on the system structure indices; (3) the method is fully autonomous as no interaction is needed with the user during the optimum search process. The performances of the proposed method will be illustrated and compared to alternative methods using a well-established WH benchmark.

Development of a new model for batch sedimentation and application to secondary settling tanks design.

PubMed

Karamisheva, Ralica D; Islam, M A

2005-01-01

Assuming that settling takes place in two zones (a constant rate zone and a variable rate zone), a model using four parameters accounting for the nature of the water-suspension system has been proposed for describing batch sedimentation processes. The sludge volume index (SVI) has been expressed in terms of these parameters. Some disadvantages of the SVI application as a design parameter have been pointed out, and it has been shown that a relationship between zone settling velocity and sludge concentration is more consistent for describing the settling behavior and for design of settling tanks. The permissible overflow rate has been related to the technological parameters of secondary settling tank by simple working equations. The graphical representations of these equations could be used to optimize the design and operation of secondary settling tanks.

Adressing optimality principles in DGVMs: Dynamics of Carbon allocation changes

NASA Astrophysics Data System (ADS)

Pietsch, Stephan

2017-04-01

DGVMs are designed to reproduce and quantify ecosystem processes. Based on plant functions or species specific parameter sets, the energy, carbon, nitrogen and water cycles of different ecosystems are assessed. These models have been proven to be important tools to investigate ecosystem fluxes as they are derived by plant, site and environmental factors. The general model approach assumes steady state conditions and constant model parameters. Both assumptions, however, are wrong, since: (i) No given ecosystem ever is at steady state! (ii) Ecosystems have the capability to adapt to changes in growth conditions, e.g. via changes in allocation patterns! This presentation will give examples how these general failures within current DGVMs may be addressed.

Adressing optimality principles in DGVMs: Dynamics of Carbon allocation changes.

NASA Astrophysics Data System (ADS)

Pietsch, S.

2016-12-01

DGVMs are designed to reproduce and quantify ecosystem processes. Based on plant functions or species specific parameter sets, the energy, carbon, nitrogen and water cycles of different ecosystems are assessed. These models have been proven to be important tools to investigate ecosystem fluxes as they are derived by plant, site and environmental factors. The general model approach assumes steady state conditions and constant model parameters. Both assumptions, however, are wrong. Any given ecosystem never is at steady state! Ecosystems have the capability to adapt to changes in growth conditions, e.g. via changes in allocation patterns! This presentation will give examples how these general failures within current DGVMs may be addressed.

The strength study of the rotating device driver indexing spatial mechanism

NASA Astrophysics Data System (ADS)

Zakharenkov, N. V.; Kvasov, I. N.

2018-04-01

The indexing spatial mechanisms are widely used in automatic machines. The mechanisms maximum load-bearing capacity measurement is possible based on both the physical and numerical models tests results. The paper deals with the driven disk indexing spatial cam mechanism numerical model at the constant angular cam velocity. The presented mechanism kinematics and geometry parameters and finite element model are analyzed in the SolidWorks design environment. The calculation initial data and missing parameters having been found from the structure analysis were identified. The structure and kinematics analysis revealed the mechanism failures possible reasons. The numerical calculations results showing the structure performance at the contact and bending stresses are represented.

Consistency of the tachyon warm inflationary universe models

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

Zhang, Xiao-Min; Zhu, Jian-Yang, E-mail: zhangxm@mail.bnu.edu.cn, E-mail: zhujy@bnu.edu.cn

2014-02-01

This study concerns the consistency of the tachyon warm inflationary models. A linear stability analysis is performed to find the slow-roll conditions, characterized by the potential slow-roll (PSR) parameters, for the existence of a tachyon warm inflationary attractor in the system. The PSR parameters in the tachyon warm inflationary models are redefined. Two cases, an exponential potential and an inverse power-law potential, are studied, when the dissipative coefficient Γ = Γ{sub 0} and Γ = Γ(φ), respectively. A crucial condition is obtained for a tachyon warm inflationary model characterized by the Hubble slow-roll (HSR) parameter ε{sub H}, and the conditionmore » is extendable to some other inflationary models as well. A proper number of e-folds is obtained in both cases of the tachyon warm inflation, in contrast to existing works. It is also found that a constant dissipative coefficient (Γ = Γ{sub 0}) is usually not a suitable assumption for a warm inflationary model.« less

Breakthrough behavior of granular ferric hydroxide (GFH) fixed-bed adsorption filters: modeling and experimental approaches.

PubMed

Sperlich, Alexander; Werner, Arne; Genz, Arne; Amy, Gary; Worch, Eckhard; Jekel, Martin

2005-03-01

Breakthrough curves (BTC) for the adsorption of arsenate and salicylic acid onto granulated ferric hydroxide (GFH) in fixed-bed adsorbers were experimentally determined and modeled using the homogeneous surface diffusion model (HSDM). The input parameters for the HSDM, the Freundlich isotherm constants and mass transfer coefficients for film and surface diffusion, were experimentally determined. The BTC for salicylic acid revealed a shape typical for trace organic compound adsorption onto activated carbon, and model results agreed well with the experimental curves. Unlike salicylic acid, arsenate BTCs showed a non-ideal shape with a leveling off at c/c0 approximately 0.6. Model results based on the experimentally derived parameters over-predicted the point of arsenic breakthrough for all simulated curves, lab-scale or full-scale, and were unable to catch the shape of the curve. The use of a much lower surface diffusion coefficient D(S) for modeling led to an improved fit of the later stages of the BTC shape, pointing on a time-dependent D(S). The mechanism for this time dependence is still unknown. Surface precipitation was discussed as one possible removal mechanism for arsenate besides pure adsorption interfering the determination of Freundlich constants and D(S). Rapid small-scale column tests (RSSCT) proved to be a powerful experimental alternative to the modeling procedure for arsenic.

Cosmological dynamics with non-minimally coupled scalar field and a constant potential function

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

Hrycyna, Orest; Szydłowski, Marek, E-mail: orest.hrycyna@ncbj.gov.pl, E-mail: marek.szydlowski@uj.edu.pl

2015-11-01

Dynamical systems methods are used to investigate global behaviour of the spatially flat Friedmann-Robertson-Walker cosmological model in gravitational theory with a non-minimally coupled scalar field and a constant potential function. We show that the system can be reduced to an autonomous three-dimensional dynamical system and additionally is equipped with an invariant manifold corresponding to an accelerated expansion of the universe. Using this invariant manifold we find an exact solution of the reduced dynamics. We investigate all solutions for all admissible initial conditions using theory of dynamical systems to obtain a classification of all evolutional paths. The right-hand sides of themore » dynamical system depend crucially on the value of the non-minimal coupling constant therefore we study bifurcation values of this parameter under which the structure of the phase space changes qualitatively. We found a special bifurcation value of the non-minimal coupling constant which is distinguished by dynamics of the model and may suggest some additional symmetry in matter sector of the theory.« less

Probabilistic models and uncertainty quantification for the ionization reaction rate of atomic Nitrogen

NASA Astrophysics Data System (ADS)

Miki, K.; Panesi, M.; Prudencio, E. E.; Prudhomme, S.

2012-05-01

The objective in this paper is to analyze some stochastic models for estimating the ionization reaction rate constant of atomic Nitrogen (N + e- → N+ + 2e-). Parameters of the models are identified by means of Bayesian inference using spatially resolved absolute radiance data obtained from the Electric Arc Shock Tube (EAST) wind-tunnel. The proposed methodology accounts for uncertainties in the model parameters as well as physical model inadequacies, providing estimates of the rate constant that reflect both types of uncertainties. We present four different probabilistic models by varying the error structure (either additive or multiplicative) and by choosing different descriptions of the statistical correlation among data points. In order to assess the validity of our methodology, we first present some calibration results obtained with manufactured data and then proceed by using experimental data collected at EAST experimental facility. In order to simulate the radiative signature emitted in the shock-heated air plasma, we use a one-dimensional flow solver with Park's two-temperature model that simulates non-equilibrium effects. We also discuss the implications of the choice of the stochastic model on the estimation of the reaction rate and its uncertainties. Our analysis shows that the stochastic models based on correlated multiplicative errors are the most plausible models among the four models proposed in this study. The rate of the atomic Nitrogen ionization is found to be (6.2 ± 3.3) × 1011 cm3 mol-1 s-1 at 10,000 K.

Measuring the reduced scattering coefficient and γ with SFR spectroscopy: studying the phase function dependence (Conference Presentation)

NASA Astrophysics Data System (ADS)

Post, Anouk L.; Zhang, Xu; Bosschaart, Nienke; Van Leeuwen, Ton G.; Sterenborg, Henricus J. C. M.; Faber, Dirk J.

2016-03-01

Both Optical Coherence Tomography (OCT) and Single Fiber Reflectance Spectroscopy (SFR) are used to determine various optical properties of tissue. We developed a method combining these two techniques to measure the scattering anisotropy (g1) and γ (=1-g2/1-g1), related to the 1st and 2nd order moments of the phase function. The phase function is intimately associated with the cellular organization and ultrastructure of tissue, physical parameters that may change during disease onset and progression. Quantification of these parameters may therefore allow for improved non-invasive, in vivo discrimination between healthy and diseased tissue. With SFR the reduced scattering coefficient and γ can be extracted from the reflectance spectrum (Kanick et al., Biomedical Optics Express 2(6), 2011). With OCT the scattering coefficient can be extracted from the signal as a function of depth (Faber et al., Optics Express 12(19), 2004). Consequently, by combining SFR and OCT measurements at the same wavelengths, the scattering anisotropy (g) can be resolved using µs'= µs*(1-g). We performed measurements on a suspension of silica spheres as a proof of principle. The SFR model for the reflectance as a function of the reduced scattering coefficient and γ is based on semi-empirical modelling. These models feature Monte-Carlo (MC) based model constants. The validity of these constants - and thus the accuracy of the estimated parameters - depends on the phase function employed in the MC simulations. Since the phase function is not known when measuring in tissue, we will investigate the influence of assuming an incorrect phase function on the accuracy of the derived parameters.

Development of a Detailed Surface Chemistry Framework in DSMC

NASA Technical Reports Server (NTRS)

Swaminathan-Gopalan, K.; Borner, A.; Stephani, K. A.

2017-01-01

Many of the current direct simulation Monte Carlo (DSMC) codes still employ only simple surface catalysis models. These include only basic mechanisms such as dissociation, recombination, and exchange reactions, without any provision for adsorption and finite rate kinetics. Incorporating finite rate chemistry at the surface is increasingly becoming a necessity for various applications such as high speed re-entry flows over thermal protection systems (TPS), micro-electro-mechanical systems (MEMS), surface catalysis, etc. In the recent years, relatively few works have examined finite-rate surface reaction modeling using the DSMC method.In this work, a generalized finite-rate surface chemistry framework incorporating a comprehensive list of reaction mechanisms is developed and implemented into the DSMC solver SPARTA. The various mechanisms include adsorption, desorption, Langmuir-Hinshelwood (LH), Eley-Rideal (ER), Collision Induced (CI), condensation, sublimation, etc. The approach is to stochastically model the various competing reactions occurring on a set of active sites. Both gas-surface (e.g., ER, CI) and pure-surface (e.g., LH, desorption) reaction mechanisms are incorporated. The reaction mechanisms could also be catalytic or surface altering based on the participation of the bulk-phase species (e.g., bulk carbon atoms). Marschall and MacLean developed a general formulation in which multiple phases and surface sites are used and we adopt a similar convention in the current work. Microscopic parameters of reaction probabilities (for gas-surface reactions) and frequencies (for pure-surface reactions) that are require for DSMC are computed from the surface properties and macroscopic parameters such as rate constants, sticking coefficients, etc. The energy and angular distributions of the products are decided based on the reaction type and input parameters. Thus, the user has the capability to model various surface reactions via user-specified reaction rate constants, surface properties and parameters.

Strip dielectric wave guide antenna-for the measurement of dielectric constant of low-loss materials

NASA Astrophysics Data System (ADS)

Rastogi, Alok Kumar; Tiwari, A. K.; Shrivastava, R. P.

1993-07-01

The value of dielectric constant are the most important parameters in material science technology. In micro-wave and millimeter wave circuits using dielectric materials the values of this parameters should be known accurately. It is observed that the number of methods are reported in litrature, however these methods impose difficulties in experimentation and are not very accurate. In this paper a novel approach to the measurement of the dielectric constant of low loss materials at micro-wave and millimeter wave frequencies has been discussed. In this method by using antenna theory, a metallic strip dielectric guide is taken in to constideration and band reject phenomenon of dielectric antenna is used. Frequency response of an antenna in band reject mode is a function of the dimensional parameters, such as the metallic strip period, the profile of the metallic strip and the dielectric constant of the material used. Hence if one measure the frequency responce of the antenna in band reject mode, the dielectric constant of the material is determined provided all other parameters are known. This method gives a direct measure of dielectric constant and is quite accurate as computer techniques are used for evaluating the dielectric constant. This method verified experimentally also.

Estimation of biological parameters of marine organisms using linear and nonlinear acoustic scattering model-based inversion methods.

PubMed

Chu, Dezhang; Lawson, Gareth L; Wiebe, Peter H

2016-05-01

The linear inversion commonly used in fisheries and zooplankton acoustics assumes a constant inversion kernel and ignores the uncertainties associated with the shape and behavior of the scattering targets, as well as other relevant animal parameters. Here, errors of the linear inversion due to uncertainty associated with the inversion kernel are quantified. A scattering model-based nonlinear inversion method is presented that takes into account the nonlinearity of the inverse problem and is able to estimate simultaneously animal abundance and the parameters associated with the scattering model inherent to the kernel. It uses sophisticated scattering models to estimate first, the abundance, and second, the relevant shape and behavioral parameters of the target organisms. Numerical simulations demonstrate that the abundance, size, and behavior (tilt angle) parameters of marine animals (fish or zooplankton) can be accurately inferred from the inversion by using multi-frequency acoustic data. The influence of the singularity and uncertainty in the inversion kernel on the inversion results can be mitigated by examining the singular values for linear inverse problems and employing a non-linear inversion involving a scattering model-based kernel.

Biotrickling filter modeling for styrene abatement. Part 2: Simulating a two-phase partitioning bioreactor.

PubMed

San-Valero, Pau; Dorado, Antonio D; Quijano, Guillermo; Álvarez-Hornos, F Javier; Gabaldón, Carmen

2018-01-01

A dynamic model describing styrene abatement was developed for a two-phase partitioning bioreactor operated as a biotrickling filter (TPPB-BTF). The model was built as a coupled set of two different systems of partial differential equations depending on whether an irrigation or a non-irrigation period was simulated. The maximum growth rate was previously calibrated from a conventional BTF treating styrene (Part 1). The model was extended to simulate the TPPB-BTF based on the hypothesis that the main change associated with the non-aqueous phase is the modification of the pollutant properties in the liquid phase. The three phases considered were gas, a water-silicone liquid mixture, and biofilm. The selected calibration parameters were related to the physical properties of styrene: Henry's law constant, diffusivity, and the gas-liquid mass transfer coefficient. A sensitivity analysis revealed that Henry's law constant was the most sensitive parameter. The model was successfully calibrated with a goodness of fit of 0.94. It satisfactorily simulated the performance of the TPPB-BTF at styrene loads ranging from 13 to 77 g C m -3 h -1 and empty bed residence times of 30-15 s with the mass transfer enhanced by a factor of 1.6. The model was validated with data obtained in a TPPB-BTF removing styrene continuously. The experimental outlet emissions associated to oscillating inlet concentrations were satisfactorily predicted by using the calibrated parameters. Model simulations demonstrated the potential improvement of the mass-transfer performance of a conventional BTF degrading styrene by adding silicone oil. Copyright © 2017 Elsevier Ltd. All rights reserved.

Technical note: Improving modeling of coagulation, curd firming, and syneresis of sheep milk.

PubMed

Cipolat-Gotet, Claudio; Pazzola, Michele; Ferragina, Alessandro; Cecchinato, Alessio; Dettori, Maria L; Vacca, Giuseppe M

2018-04-18

The importance of milk coagulation properties for milk processing, cheese yield, and quality is widely recognized. The use of traditional coagulation traits presents several limitations for testing bovine milk and even more for sheep milk, due to its rapid coagulation and curd firming, and early syneresis of coagulum. The aim of this technical note is to test and improve model fitting for assessing coagulation, curd firming, and syneresis of sheep milk. Using milk samples from 87 Sarda ewes, we performed in duplicate lactodynamographic testing. On each of the 174 analyzed milk aliquots, using 180 observations from each aliquot (one every 15 s for 45 min after rennet addition), we compared 4 different curd firming models as a function of time (CF t , mm) using a nonlinear procedure. The most accurate and informative results were observed using a modified 4-parameter model, structured as follows: [Formula: see text] , where t is time, RCT eq (min) is the gelation time, CF P (mm) is the potential asymptotical CF at an infinite time, k CF (%/min) is the curd firming rate constant, and k SR (%/min) is the curd syneresis rate constant. To avoid nonconvergence and computational problems due to interrelations among the equation parameters, CF P was preliminarily defined as a function of maximum observed curd firmness (CF max , mm) recorded during the analysis. For this model, all the modeling equations of individual sheep milk aliquots were converging, with a negligible standard error of the estimates (coefficient of determination >0.99 for all individual sample equations). Repeatability of the modeled parameters was acceptable, also in the presence of curd syneresis during the lactodynamographic analysis. Copyright © 2018 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Extreme storm surge modelling in the North Sea. The role of the sea state, forcing frequency and spatial forcing resolution

NASA Astrophysics Data System (ADS)

Ridder, Nina; de Vries, Hylke; Drijfhout, Sybren; van den Brink, Henk; van Meijgaard, Erik; de Vries, Hans

2018-02-01

This study shows that storm surge model performance in the North Sea is mostly unaffected by the application of temporal variations of surface drag due to changes in sea state provided the choice of a suitable constant Charnock parameter in the sea-state-independent case. Including essential meteorological features on smaller scales and minimising interpolation errors by increasing forcing data resolution are shown to be more important for the improvement of model performance particularly at the high tail of the probability distribution. This is found in a modelling study using WAQUA/DCSMv5 by evaluating the influence of a realistic air-sea momentum transfer parameterization and comparing it to the influence of changes in the spatial and temporal resolution of the applied forcing fields in an effort to support the improvement of impact and climate analysis studies. Particular attention is given to the representation of extreme water levels over the past decades based on the example of the Netherlands. For this, WAQUA/DCSMv5 is forced with ERA-Interim reanalysis data. Model results are obtained from a set of different forcing fields, which either (i) include a wave-state-dependent Charnock parameter or (ii) apply a constant Charnock parameter ( α C h = 0.032) tuned for young sea states in the North Sea, but differ in their spatial and/or temporal resolution. Increasing forcing field resolution from roughly 79 to 12 km through dynamically downscaling can reduce the modelled low bias, depending on coastal station, by up to 0.25 m for the modelled extreme water levels with a 1-year return period and between 0.1 m and 0.5 m for extreme surge heights.

Stochastic and Perturbed Parameter Representations of Model Uncertainty in Convection Parameterization

NASA Astrophysics Data System (ADS)

Christensen, H. M.; Moroz, I.; Palmer, T.

2015-12-01

It is now acknowledged that representing model uncertainty in atmospheric simulators is essential for the production of reliable probabilistic ensemble forecasts, and a number of different techniques have been proposed for this purpose. Stochastic convection parameterization schemes use random numbers to represent the difference between a deterministic parameterization scheme and the true atmosphere, accounting for the unresolved sub grid-scale variability associated with convective clouds. An alternative approach varies the values of poorly constrained physical parameters in the model to represent the uncertainty in these parameters. This study presents new perturbed parameter schemes for use in the European Centre for Medium Range Weather Forecasts (ECMWF) convection scheme. Two types of scheme are developed and implemented. Both schemes represent the joint uncertainty in four of the parameters in the convection parametrisation scheme, which was estimated using the Ensemble Prediction and Parameter Estimation System (EPPES). The first scheme developed is a fixed perturbed parameter scheme, where the values of uncertain parameters are changed between ensemble members, but held constant over the duration of the forecast. The second is a stochastically varying perturbed parameter scheme. The performance of these schemes was compared to the ECMWF operational stochastic scheme, Stochastically Perturbed Parametrisation Tendencies (SPPT), and to a model which does not represent uncertainty in convection. The skill of probabilistic forecasts made using the different models was evaluated. While the perturbed parameter schemes improve on the stochastic parametrisation in some regards, the SPPT scheme outperforms the perturbed parameter approaches when considering forecast variables that are particularly sensitive to convection. Overall, SPPT schemes are the most skilful representations of model uncertainty due to convection parametrisation. Reference: H. M. Christensen, I. M. Moroz, and T. N. Palmer, 2015: Stochastic and Perturbed Parameter Representations of Model Uncertainty in Convection Parameterization. J. Atmos. Sci., 72, 2525-2544.

Interpretation of f(R,T) gravity in terms of a conserved effective fluid

NASA Astrophysics Data System (ADS)

Shabani, Hamid; Ziaie, Amir Hadi

2018-03-01

In the present work, we introduce a novel approach to study f(R,T) gravity theory from a different perspective. Here, T denotes the trace of energy-momentum tensor (EMT) of matter fluids. The usual method (as discussed in the literature) is to choose an h(T) function and then solve for the resulted Friedman equations. Nevertheless, our aim here is, without loss of generality, to reformulate a particular class of f(R,T) gravity models in which the Einstein-Hilbert action is promoted by an arbitrary function of the trace of EMT. The strategy is the redefinition of the equation of motion in terms of the components of an effective fluid. We show that in this case the EMT is automatically conserved. As we shall see, adopting such a point of view (at least) in f(R,T) gravity is accompanied by two significant points. On one hand, h(T) function is chosen based upon a physical concept and on the other, we clearly understand the overall or effective behavior of matter in terms of a conserved effective fluid. To illustrate the idea, we study some models in which different physical properties for the effective fluid is attributed to each model. Particularly, we discuss models with constant effective density, constant effective pressure and constant effective equation of state (EoS) parameter. Moreover, two models with a relation between the effective density and the effective pressure will be considered. An elegant result is that in f(R,T) gravity, there is a possibility that a perfect fluid could effectively behave as a modified Chaplygin gas with four free parameters.

WE-FG-206-06: Dual-Input Tracer Kinetic Modeling and Its Analog Implementation for Dynamic Contrast-Enhanced (DCE-) MRI of Malignant Mesothelioma (MPM)

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

Lee, S; Rimner, A; Hayes, S

Purpose: To use dual-input tracer kinetic modeling of the lung for mapping spatial heterogeneity of various kinetic parameters in malignant MPM Methods: Six MPM patients received DCE-MRI as part of their radiation therapy simulation scan. 5 patients had the epitheloid subtype of MPM, while one was biphasic. A 3D fast-field echo sequence with TR/TE/Flip angle of 3.62ms/1.69ms/15° was used for DCE-MRI acquisition. The scan was collected for 5 minutes with a temporal resolution of 5-9 seconds depending on the spatial extent of the tumor. A principal component analysis-based groupwise deformable registration was used to co-register all the DCE-MRI series formore » motion compensation. All the images were analyzed using five different dual-input tracer kinetic models implemented in analog continuous-time formalism: the Tofts-Kety (TK), extended TK (ETK), two compartment exchange (2CX), adiabatic approximation to the tissue homogeneity (AATH), and distributed parameter (DP) models. The following parameters were computed for each model: total blood flow (BF), pulmonary flow fraction (γ), pulmonary blood flow (BF-pa), systemic blood flow (BF-a), blood volume (BV), mean transit time (MTT), permeability-surface area product (PS), fractional interstitial volume (vi), extraction fraction (E), volume transfer constant (Ktrans) and efflux rate constant (kep). Results: Although the majority of patients had epitheloid histologies, kinetic parameter values varied across different models. One patient showed a higher total BF value in all models among the epitheloid histologies, although the γ value was varying among these different models. In one tumor with a large area of necrosis, the TK and ETK models showed higher E, Ktrans, and kep values and lower interstitial volume as compared to AATH and DP and 2CX models. Kinetic parameters such as BF-pa, BF-a, PS, Ktrans values were higher in surviving group compared to non-surviving group across most models. Conclusion: Dual-input tracer kinetic modeling is feasible in determining micro-vascular characteristics of MPM. This project was supported from Cycle for Survival and MSK Imaging and radiation science (IMRAS) grants.« less

MONALISA for stochastic simulations of Petri net models of biochemical systems.

PubMed

Balazki, Pavel; Lindauer, Klaus; Einloft, Jens; Ackermann, Jörg; Koch, Ina

2015-07-10

The concept of Petri nets (PN) is widely used in systems biology and allows modeling of complex biochemical systems like metabolic systems, signal transduction pathways, and gene expression networks. In particular, PN allows the topological analysis based on structural properties, which is important and useful when quantitative (kinetic) data are incomplete or unknown. Knowing the kinetic parameters, the simulation of time evolution of such models can help to study the dynamic behavior of the underlying system. If the number of involved entities (molecules) is low, a stochastic simulation should be preferred against the classical deterministic approach of solving ordinary differential equations. The Stochastic Simulation Algorithm (SSA) is a common method for such simulations. The combination of the qualitative and semi-quantitative PN modeling and stochastic analysis techniques provides a valuable approach in the field of systems biology. Here, we describe the implementation of stochastic analysis in a PN environment. We extended MONALISA - an open-source software for creation, visualization and analysis of PN - by several stochastic simulation methods. The simulation module offers four simulation modes, among them the stochastic mode with constant firing rates and Gillespie's algorithm as exact and approximate versions. The simulator is operated by a user-friendly graphical interface and accepts input data such as concentrations and reaction rate constants that are common parameters in the biological context. The key features of the simulation module are visualization of simulation, interactive plotting, export of results into a text file, mathematical expressions for describing simulation parameters, and up to 500 parallel simulations of the same parameter sets. To illustrate the method we discuss a model for insulin receptor recycling as case study. We present a software that combines the modeling power of Petri nets with stochastic simulation of dynamic processes in a user-friendly environment supported by an intuitive graphical interface. The program offers a valuable alternative to modeling, using ordinary differential equations, especially when simulating single-cell experiments with low molecule counts. The ability to use mathematical expressions provides an additional flexibility in describing the simulation parameters. The open-source distribution allows further extensions by third-party developers. The software is cross-platform and is licensed under the Artistic License 2.0.

Simple model for piezoelectric ceramic/polymer 1-3 composites used in ultrasonic transducer applications.

PubMed

Chan, H W; Unsworth, J

1989-01-01

A theoretical model is presented for combining parameters of 1-3 ultrasonic composite materials in order to predict ultrasonic characteristics such as velocity, acoustic impedance, electromechanical coupling factor, and piezoelectric coefficients. Hence, the model allows the estimation of resonance frequencies of 1-3 composite transducers. This model has been extended to cover more material parameters, and they are compared to experimental results up to PZT volume fraction nu of 0.8. The model covers calculation of piezoelectric charge constants d(33) and d(31). Values are found to be in good agreement with experimental results obtained for PZT 7A/Araldite D 1-3 composites. The acoustic velocity, acoustic impedance, and electromechanical coupling factor are predicted and found to be close to the values determined experimentally.

Testable solution of the cosmological constant and coincidence problems

NASA Astrophysics Data System (ADS)

Shaw, Douglas J.; Barrow, John D.

2011-02-01

We present a new solution to the cosmological constant (CC) and coincidence problems in which the observed value of the CC, Λ, is linked to other observable properties of the Universe. This is achieved by promoting the CC from a parameter that must be specified, to a field that can take many possible values. The observed value of Λ≈(9.3Gyrs)-2 [≈10-120 in Planck units] is determined by a new constraint equation which follows from the application of a causally restricted variation principle. When applied to our visible Universe, the model makes a testable prediction for the dimensionless spatial curvature of Ωk0=-0.0056(ζb/0.5), where ζb˜1/2 is a QCD parameter. Requiring that a classical history exist, our model determines the probability of observing a given Λ. The observed CC value, which we successfully predict, is typical within our model even before the effects of anthropic selection are included. When anthropic selection effects are accounted for, we find that the observed coincidence between tΛ=Λ-1/2 and the age of the Universe, tU, is a typical occurrence in our model. In contrast to multiverse explanations of the CC problems, our solution is independent of the choice of a prior weighting of different Λ values and does not rely on anthropic selection effects. Our model includes no unnatural small parameters and does not require the introduction of new dynamical scalar fields or modifications to general relativity, and it can be tested by astronomical observations in the near future.

Modeling of monolayer charge-stabilized colloidal crystals with static hexagonal crystal lattice

NASA Astrophysics Data System (ADS)

Nagatkin, A. N.; Dyshlovenko, P. E.

2018-01-01

The mathematical model of monolayer colloidal crystals of charged hard spheres in liquid electrolyte is proposed. The particles in the monolayer are arranged into the two-dimensional hexagonal crystal lattice. The model enables finding elastic constants of the crystals from the stress-strain dependencies. The model is based on the nonlinear Poisson-Boltzmann differential equation. The Poisson-Boltzmann equation is solved numerically by the finite element method for any spatial configuration. The model has five geometrical and electrical parameters. The model is used to study the crystal with particles comparable in size with the Debye length of the electrolyte. The first- and second-order elastic constants are found for a broad range of densities. The model crystal turns out to be stable relative to small uniform stretching and shearing. It is also demonstrated that the Cauchy relation is not fulfilled in the crystal. This means that the pair effective interaction of any kind is not sufficient to proper model the elasticity of colloids within the one-component approach.

Surface-dependent chemical equilibrium constants and capacitances for bare and 3-cyanopropyldimethylchlorosilane coated silica nanochannels.

PubMed

Andersen, Mathias Bækbo; Frey, Jared; Pennathur, Sumita; Bruus, Henrik

2011-01-01

We present a combined theoretical and experimental analysis of the solid-liquid interface of fused-silica nanofabricated channels with and without a hydrophilic 3-cyanopropyldimethylchlorosilane (cyanosilane) coating. We develop a model that relaxes the assumption that the surface parameters C(1), C(2), and pK(+) are constant and independent of surface composition. Our theoretical model consists of three parts: (i) a chemical equilibrium model of the bare or coated wall, (ii) a chemical equilibrium model of the buffered bulk electrolyte, and (iii) a self-consistent Gouy-Chapman-Stern triple-layer model of the electrochemical double layer coupling these two equilibrium models. To validate our model, we used both pH-sensitive dye-based capillary filling experiments as well as electro-osmotic current-monitoring measurements. Using our model we predict the dependence of ζ potential, surface charge density, and capillary filling length ratio on ionic strength for different surface compositions, which can be difficult to achieve otherwise. Copyright © 2010 Elsevier Inc. All rights reserved.

Quantum corrections to quasi-periodic solution of Sine-Gordon model and periodic solution of phi4 model

NASA Astrophysics Data System (ADS)

Kwiatkowski, G.; Leble, S.

2014-03-01

Analytical form of quantum corrections to quasi-periodic solution of Sine-Gordon model and periodic solution of phi4 model is obtained through zeta function regularisation with account of all rest variables of a d-dimensional theory. Qualitative dependence of quantum corrections on parameters of the classical systems is also evaluated for a much broader class of potentials u(x) = b2f(bx) + C with b and C as arbitrary real constants.

Estimation of variance in Cox's regression model with shared gamma frailties.

PubMed

Andersen, P K; Klein, J P; Knudsen, K M; Tabanera y Palacios, R

1997-12-01

The Cox regression model with a shared frailty factor allows for unobserved heterogeneity or for statistical dependence between the observed survival times. Estimation in this model when the frailties are assumed to follow a gamma distribution is reviewed, and we address the problem of obtaining variance estimates for regression coefficients, frailty parameter, and cumulative baseline hazards using the observed nonparametric information matrix. A number of examples are given comparing this approach with fully parametric inference in models with piecewise constant baseline hazards.

A simple analytical model for signal amplification by reversible exchange (SABRE) process.

PubMed

Barskiy, Danila A; Pravdivtsev, Andrey N; Ivanov, Konstantin L; Kovtunov, Kirill V; Koptyug, Igor V

2016-01-07

We demonstrate an analytical model for the description of the signal amplification by reversible exchange (SABRE) process. The model relies on a combined analysis of chemical kinetics and the evolution of the nuclear spin system during the hyperpolarization process. The presented model for the first time provides rationale for deciding which system parameters (i.e. J-couplings, relaxation rates, reaction rate constants) have to be optimized in order to achieve higher signal enhancement for a substrate of interest in SABRE experiments.

Interactive spectral analyzer and comparator (ISAAC)

NASA Astrophysics Data System (ADS)

Latković, O.; Cséki, A.; Vince, I.

2003-10-01

We are developing an application for graphical comparison of observed and synthetic spectra (ISAAC). Synthetic spectrum calculation is performed by SPECTRUM, Stellar Spectral Synthesis Program by Richard O. Gray that we use with his kind permission. This program computes line profiles under LTE conditions in the given wavelength interval using a stellar (solar) atmosphere model, a spectral line data list (wavelength, energy levels, oscillator strengths, and damping constants), a file containing data for atoms and molecules, as well as a data file for hydrogen line profiles calculation. ISAAC offers a simple interface for viewing and changing any atomic parameter SPECTRUM uses for line profile calculation, enabling quick comparison of the new synthetic line profile with the observed one. In this way parameters like relative abundances, oscillator strengths and van der Waals damping constants can be improved, achieving a better agreement with the observed spectrum.

Reproducing tailing in breakthrough curves: Are statistical models equally representative and predictive?

NASA Astrophysics Data System (ADS)

Pedretti, Daniele; Bianchi, Marco

2018-03-01

Breakthrough curves (BTCs) observed during tracer tests in highly heterogeneous aquifers display strong tailing. Power laws are popular models for both the empirical fitting of these curves, and the prediction of transport using upscaling models based on best-fitted estimated parameters (e.g. the power law slope or exponent). The predictive capacity of power law based upscaling models can be however questioned due to the difficulties to link model parameters with the aquifers' physical properties. This work analyzes two aspects that can limit the use of power laws as effective predictive tools: (a) the implication of statistical subsampling, which often renders power laws undistinguishable from other heavily tailed distributions, such as the logarithmic (LOG); (b) the difficulties to reconcile fitting parameters obtained from models with different formulations, such as the presence of a late-time cutoff in the power law model. Two rigorous and systematic stochastic analyses, one based on benchmark distributions and the other on BTCs obtained from transport simulations, are considered. It is found that a power law model without cutoff (PL) results in best-fitted exponents (αPL) falling in the range of typical experimental values reported in the literature (1.5 < αPL < 4). The PL exponent tends to lower values as the tailing becomes heavier. Strong fluctuations occur when the number of samples is limited, due to the effects of subsampling. On the other hand, when the power law model embeds a cutoff (PLCO), the best-fitted exponent (αCO) is insensitive to the degree of tailing and to the effects of subsampling and tends to a constant αCO ≈ 1. In the PLCO model, the cutoff rate (λ) is the parameter that fully reproduces the persistence of the tailing and is shown to be inversely correlated to the LOG scale parameter (i.e. with the skewness of the distribution). The theoretical results are consistent with the fitting analysis of a tracer test performed during the MADE-5 experiment. It is shown that a simple mechanistic upscaling model based on the PLCO formulation is able to predict the ensemble of BTCs from the stochastic transport simulations without the need of any fitted parameters. The model embeds the constant αCO = 1 and relies on a stratified description of the transport mechanisms to estimate λ. The PL fails to reproduce the ensemble of BTCs at late time, while the LOG model provides consistent results as the PLCO model, however without a clear mechanistic link between physical properties and model parameters. It is concluded that, while all parametric models may work equally well (or equally wrong) for the empirical fitting of the experimental BTCs tails due to the effects of subsampling, for predictive purposes this is not true. A careful selection of the proper heavily tailed models and corresponding parameters is required to ensure physically-based transport predictions.

Periodic sequence of stabilized wave segments in an excitable medium

NASA Astrophysics Data System (ADS)

Zykov, V. S.; Bodenschatz, E.

2018-03-01

Numerical computations show that a stabilization of a periodic sequence of wave segments propagating through an excitable medium is possible only in a restricted domain within the parameter space. By application of a free-boundary approach, we demonstrate that at the boundary of this domain the parameter H introduced in our Rapid Communication is constant. We show also that the discovered parameter predetermines the propagation velocity and the shape of the wave segments. The predictions of the free-boundary approach are in good quantitative agreement with results from numerical reaction-diffusion simulations performed on the modified FitzHugh-Nagumo model.

Utilizing dimensional analysis with observed data to determine the significance of hydrodynamic solutions in coastal hydrology

USGS Publications Warehouse

Swain, Eric D.; Decker, Jeremy D.; Hughes, Joseph D.

2014-01-01

In this paper, the authors present an analysis of the magnitude of the temporal and spatial acceleration (inertial) terms in the surface-water flow equations and determine the conditions under which these inertial terms have sufficient magnitude to be required in the computations. Data from two South Florida field sites are examined and the relative magnitudes of temporal acceleration, spatial acceleration, and the gravity and friction terms are compared. Parameters are derived by using dimensionless numbers and applied to quantify the significance of the hydrodynamic effects. The time series of the ratio of the inertial and gravity terms from field sites are presented and compared with both a simplified indicator parameter and a more complex parameter called the Hydrodynamic Significance Number (HSN). Two test-case models were developed by using the SWIFT2D hydrodynamic simulator to examine flow behavior with and without the inertial terms and compute the HSN. The first model represented one of the previously-mentioned field sites during gate operations of a structure-managed coastal canal. The second model was a synthetic test case illustrating the drainage of water down a sloped surface from an initial stage while under constant flow. The analyses indicate that the times of substantial hydrodynamic effects are sporadic but significant. The simplified indicator parameter correlates much better with the hydrodynamic effect magnitude for a constant width channel such as Miami Canal than at the non-uniform North River. Higher HSN values indicate flow situations where the inertial terms are large and need to be taken into account.

An Open Singularity-Free Cosmological Model with Inflation

NASA Astrophysics Data System (ADS)

Karaca, Koray; Bayin, Selçuk

In the light of recent observations which point to an open universe (Ω0 < 1), we construct an open singularity-free cosmological model by reconsidering a model originally constructed for a closed universe. Our model starts from a nonsingular state called prematter, governed by an inflationary equation of state P = (γp - 1)ρ where γp (~= 10-3) is a small positive parameter representing the initial vacuum dominance of the universe. Unlike the closed models universe cannot be initially static hence, starts with an initial expansion rate represented by the initial value of the Hubble constant H(0). Therefore, our model is a two-parameter universe model (γp,H(0)). Comparing the predictions of this model for the present properties of the universe with the recent observational results, we argue that the model constructed in this work could be used as a realistic universe model.

New two-metric theory of gravity with prior geometry

NASA Technical Reports Server (NTRS)

Lightman, A. P.; Lee, D. L.

1973-01-01

A Lagrangian-based metric theory of gravity is developed with three adjustable constants and two tensor fields, one of which is a nondynamic 'flat space metric' eta. With a suitable cosmological model and a particular choice of the constants, the 'post-Newtonian limit' of the theory agrees, in the current epoch, with that of general relativity theory (GRT); consequently the theory is consistent with current gravitation experiments. Because of the role of eta, the gravitational 'constant' G is time-dependent and gravitational waves travel null geodesics of eta rather than the physical metric g. Gravitational waves possess six degrees of freedom. The general exact static spherically-symmetric solution is a four-parameter family. Future experimental tests of the theory are discussed.

An analytic cosmology solution of Poincaré gauge gravity

NASA Astrophysics Data System (ADS)

Lu, Jianbo; Chee, Guoying

2016-06-01

A cosmology of Poincaré gauge theory is developed. An analytic solution is obtained. The calculation results agree with observation data and can be compared with the ΛCDM model. The cosmological constant puzzle is the coincidence and fine tuning problem are solved naturally at the same time. The cosmological constant turns out to be the intrinsic torsion and curvature of the vacuum universe, and is derived from the theory naturally rather than added artificially. The dark energy originates from geometry, includes the cosmological constant but differs from it. The analytic expression of the state equations of the dark energy and the density parameters of the matter and the geometric dark energy are derived. The full equations of linear cosmological perturbations and the solutions are obtained.

Proportional Feedback Control of Energy Intake During Obesity Pharmacotherapy.

PubMed

Hall, Kevin D; Sanghvi, Arjun; Göbel, Britta

2017-12-01

Obesity pharmacotherapies result in an exponential time course for energy intake whereby large early decreases dissipate over time. This pattern of declining drug efficacy to decrease energy intake results in a weight loss plateau within approximately 1 year. This study aimed to elucidate the physiology underlying the exponential decay of drug effects on energy intake. Placebo-subtracted energy intake time courses were examined during long-term obesity pharmacotherapy trials for 14 different drugs or drug combinations within the theoretical framework of a proportional feedback control system regulating human body weight. Assuming each obesity drug had a relatively constant effect on average energy intake and did not affect other model parameters, our model correctly predicted that long-term placebo-subtracted energy intake was linearly related to early reductions in energy intake according to a prespecified equation with no free parameters. The simple model explained about 70% of the variance between drug studies with respect to the long-term effects on energy intake, although a significant proportional bias was evident. The exponential decay over time of obesity pharmacotherapies to suppress energy intake can be interpreted as a relatively constant effect of each drug superimposed on a physiological feedback control system regulating body weight. © 2017 The Obesity Society.

Model based estimation of sediment erosion in groyne fields along the River Elbe

NASA Astrophysics Data System (ADS)

Prohaska, Sandra; Jancke, Thomas; Westrich, Bernhard

2008-11-01

River water quality is still a vital environmental issue, even though ongoing emissions of contaminants are being reduced in several European rivers. The mobility of historically contaminated deposits is key issue in sediment management strategy and remediation planning. Resuspension of contaminated sediments impacts the water quality and thus, it is important for river engineering and ecological rehabilitation. The erodibility of the sediments and associated contaminants is difficult to predict due to complex time depended physical, chemical, and biological processes, as well as due to the lack of information. Therefore, in engineering practice the values for erosion parameters are usually assumed to be constant despite their high spatial and temporal variability, which leads to a large uncertainty of the erosion parameters. The goal of presented study is to compare the deterministic approach assuming constant critical erosion shear stress and an innovative approach which takes the critical erosion shear stress as a random variable. Furthermore, quantification of the effective value of the critical erosion shear stress, its applicability in numerical models, and erosion probability will be estimated. The results presented here are based on field measurements and numerical modelling of the River Elbe groyne fields.

Modelling of the acid-base properties of natural and synthetic adsorbent materials used for heavy metal removal from aqueous solutions.

PubMed

Pagnanelli, Francesca; Vegliò, Francesco; Toro, Luigi

2004-02-01

In this paper a comparison about kinetic behaviour, acid-base properties and copper removal capacities was carried out between two different adsorbent materials used for heavy metal removal from aqueous solutions: an aminodiacetic chelating resin as commercial product (Lewatit TP207) and a lyophilised bacterial biomass of Sphaerotilus natans. The acid-base properties of a S. natans cell suspension were well described by simplified mechanistic models without electrostatic corrections considering two kinds of weakly acidic active sites. In particular the introduction of two-peak distribution function for the proton affinity constants allows a better representation of the experimental data reproducing the site heterogeneity. A priori knowledge about resin functional groups (aminodiacetic groups) is the base for preliminary simulations of titration curve assuming a Donnan gel structure for the resin phase considered as a concentrated aqueous solution of aminodiacetic acid (ADA). Departures from experimental and simulated data can be interpreted by considering the heterogeneity of the functional groups and the effect of ionic concentration in the resin phase. Two-site continuous model describes adequately the experimental data. Moreover the values of apparent protonation constants (as adjustable parameters found by non-linear regression) are very near to the apparent constants evaluated by a Donnan model assuming the intrinsic constants in resin phase equal to the equilibrium constants in aqueous solution of ADA and considering the amphoteric nature of active sites for the evaluation of counter-ion concentration in the resin phase. Copper removal outlined the strong affinity of the active groups of the resin for this ion in solution compared to the S. natans biomass according to the complexation constants between aminodiacetic and mono-carboxylic groups and copper ions.

In-medium effects via nuclear stopping in asymmetric colliding nuclei

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

Kaur, Mandeep

2016-05-06

The nuclear stopping is studied using isospin-dependent quantum molecular dynamics (IQMD) model in asymmetric colliding nuclei by varying mass asymmetry. The calculations have been done at incident energies varying between 50 and 400 MeV/nucleon for different impact parameters. We investigate the relative role of constant scaled and density-dependent scaled cross-sections. Our study reveals that nuclear stopping depends on the mass asymmetry, incident energy and impact parameter, however, it is independent of the way of scaling the cross-section.

Microscopic theoretical study of frequency dependent dielectric constant of heavy fermion systems

NASA Astrophysics Data System (ADS)

Shadangi, Keshab Chandra; Rout, G. C.

2017-05-01

The dielectric polarization and the dielectric constant plays a vital role in the deciding the properties of the Heavy Fermion Systems. In the present communication we consider the periodic Anderson's Model which consists of conduction electron kinetic energy, localized f-electron kinetic energy and the hybridization between the conduction and localized electrons, besides the Coulomb correlation energy. We calculate dielectric polarization which involves two particle Green's functions which are calculated by using Zubarev's Green's function technique. Using the equations of motion of the fermion electron operators. Finally, the temperature and frequency dependent dielectric constant is calculated from the dielectric polarization function. The charge susceptibility and dielectric constant are computed numerically for different physical parameters like the position (Ef) of the f-electron level with respect to fermi level, the strength of the hybridization (V) between the conduction and localized f-electrons, Coulomb correlation potential temperature and optical phonon wave vector (q). The results will be discussed in a reference to the experimental observations of the dielectric constants.

A finite parallel zone model to interpret and extend Giddings' coupling theory for the eddy-dispersion in porous chromatographic media.

PubMed

Desmet, Gert

2013-11-01

The finite length parallel zone (FPZ)-model is proposed as an alternative model for the axial- or eddy-dispersion caused by the occurrence of local velocity biases or flow heterogeneities in porous media such as those used in liquid chromatography columns. The mathematical plate height expression evolving from the model shows that the A- and C-term band broadening effects that can originate from a given velocity bias should be coupled in an exponentially decaying way instead of harmonically as proposed in Giddings' coupling theory. In the low and high velocity limit both models converge, while a 12% difference can be observed in the (practically most relevant) intermediate range of reduced velocities. Explicit expressions for the A- and C-constants appearing in the exponential decay-based plate height expression have been derived for each of the different possible velocity bias levels (single through-pore and particle level, multi-particle level and trans-column level). These expressions allow to directly relate the band broadening originating from these different levels to the local fundamental transport parameters, hence offering the possibility to include a velocity-dependent and, if, needed retention factor-dependent transversal dispersion coefficient. Having developed the mathematics for the general case wherein a difference in retention equilibrium establishes between the two parallel zones, the effect of any possible local variations in packing density and/or retention capacity on the eddy-dispersion can be explicitly accounted for as well. It is furthermore also shown that, whereas the lumped transport parameter model used in the basic variant of the FPZ-model only provides a first approximation of the true decay constant, the model can be extended by introducing a constant correction factor to correctly account for the continuous transversal dispersion transport in the velocity bias zones. Copyright © 2013 Elsevier B.V. All rights reserved.

Modeling to predict pilot performance during CDTI-based in-trail following experiments

NASA Technical Reports Server (NTRS)

Sorensen, J. A.; Goka, T.

1984-01-01

A mathematical model was developed of the flight system with the pilot using a cockpit display of traffic information (CDTI) to establish and maintain in-trail spacing behind a lead aircraft during approach. Both in-trail and vertical dynamics were included. The nominal spacing was based on one of three criteria (Constant Time Predictor; Constant Time Delay; or Acceleration Cue). This model was used to simulate digitally the dynamics of a string of multiple following aircraft, including response to initial position errors. The simulation was used to predict the outcome of a series of in-trail following experiments, including pilot performance in maintaining correct longitudinal spacing and vertical position. The experiments were run in the NASA Ames Research Center multi-cab cockpit simulator facility. The experimental results were then used to evaluate the model and its prediction accuracy. Model parameters were adjusted, so that modeled performance matched experimental results. Lessons learned in this modeling and prediction study are summarized.

Error modeling for differential GPS. M.S. Thesis - MIT, 12 May 1995

NASA Technical Reports Server (NTRS)

Blerman, Gregory S.

1995-01-01

Differential Global Positioning System (DGPS) positioning is used to accurately locate a GPS receiver based upon the well-known position of a reference site. In utilizing this technique, several error sources contribute to position inaccuracy. This thesis investigates the error in DGPS operation and attempts to develop a statistical model for the behavior of this error. The model for DGPS error is developed using GPS data collected by Draper Laboratory. The Marquardt method for nonlinear curve-fitting is used to find the parameters of a first order Markov process that models the average errors from the collected data. The results show that a first order Markov process can be used to model the DGPS error as a function of baseline distance and time delay. The model's time correlation constant is 3847.1 seconds (1.07 hours) for the mean square error. The distance correlation constant is 122.8 kilometers. The total process variance for the DGPS model is 3.73 sq meters.

An experimental and modeling study of isothermal charge/discharge behavior of commercial Ni-MH cells

NASA Astrophysics Data System (ADS)

Pan, Y. H.; Srinivasan, V.; Wang, C. Y.

In this study, a previously developed nickel-metal hydride (Ni-MH) battery model is applied in conjunction with experimental characterization. Important geometric parameters, including the active surface area and micro-diffusion length for both electrodes, are measured and incorporated in the model. The kinetic parameters of the oxygen evolution reaction are also characterized using constant potential experiments. Two separate equilibrium equations for the Ni electrode, one for charge and the other for discharge, are determined to provide a better description of the electrode hysteresis effect, and their use results in better agreement of simulation results with experimental data on both charge and discharge. The Ni electrode kinetic parameters are re-calibrated for the battery studied. The Ni-MH cell model coupled with the updated electrochemical properties is then used to simulate a wide range of experimental discharge and charge curves with satisfactory agreement. The experimentally validated model is used to predict and compare various charge algorithms so as to provide guidelines for application-specific optimization.

Family of columns isospectral to gravity-loaded columns with tip force: A discrete approach

NASA Astrophysics Data System (ADS)

Ramachandran, Nirmal; Ganguli, Ranjan

2018-06-01

A discrete model is introduced to analyze transverse vibration of straight, clamped-free (CF) columns of variable cross-sectional geometry under the influence of gravity and a constant axial force at the tip. The discrete model is used to determine critical combinations of loading parameters - a gravity parameter and a tip force parameter - that cause onset of dynamic instability in the CF column. A methodology, based on matrix-factorization, is described to transform the discrete model into a family of models corresponding to weightless and unloaded clamped-free (WUCF) columns, each with a transverse vibration spectrum isospectral to the original model. Characteristics of models in this isospectral family are dependent on three transformation parameters. A procedure is discussed to convert the isospectral discrete model description into geometric description of realistic columns i.e. from the discrete model, we construct isospectral WUCF columns with rectangular cross-sections varying in width and depth. As part of numerical studies to demonstrate efficacy of techniques presented, frequency parameters of a uniform column and three types of tapered CF columns under different combinations of loading parameters are obtained from the discrete model. Critical combinations of these parameters for a typical tapered column are derived. These results match with published results. Example CF columns, under arbitrarily-chosen combinations of loading parameters are considered and for each combination, isospectral WUCF columns are constructed. Role of transformation parameters in determining characteristics of isospectral columns is discussed and optimum values are deduced. Natural frequencies of these WUCF columns computed using Finite Element Method (FEM) match well with those of the given gravity-loaded CF column with tip force, hence confirming isospectrality.

The reconstruction of tachyon inflationary potentials

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

Fei, Qin; Gong, Yungui; Lin, Jiong

We derive a lower bound on the field excursion for the tachyon inflation, which is determined by the amplitude of the scalar perturbation and the number of e -folds before the end of inflation. Using the relation between the observables like n {sub s} and r with the slow-roll parameters, we reconstruct three classes of tachyon potentials. The model parameters are determined from the observations before the potentials are reconstructed, and the observations prefer the concave potential. We also discuss the constraints from the reheating phase preceding the radiation domination for the three classes of models by assuming the equationmore » of state parameter w {sub re} during reheating is a constant. Depending on the model parameters and the value of w {sub re} , the constraints on N {sub re} and T {sub re} are different. As n {sub s} increases, the allowed reheating epoch becomes longer for w {sub re} =−1/3, 0 and 1/6 while the allowed reheating epoch becomes shorter for w {sub re} =2/3.« less

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

Simard, G.; et al.

We report constraints on cosmological parameters from the angular power spectrum of a cosmic microwave background (CMB) gravitational lensing potential map created using temperature data from 2500 degmore » $^2$ of South Pole Telescope (SPT) data supplemented with data from Planck in the same sky region, with the statistical power in the combined map primarily from the SPT data. We fit the corresponding lensing angular power spectrum to a model including cold dark matter and a cosmological constant ($$\\Lambda$$CDM), and to models with single-parameter extensions to $$\\Lambda$$CDM. We find constraints that are comparable to and consistent with constraints found using the full-sky Planck CMB lensing data. Specifically, we find $$\\sigma_8 \\Omega_{\\rm m}^{0.25}=0.598 \\pm 0.024$$ from the lensing data alone with relatively weak priors placed on the other $$\\Lambda$$CDM parameters. In combination with primary CMB data from Planck, we explore single-parameter extensions to the $$\\Lambda$$CDM model. We find $$\\Omega_k = -0.012^{+0.021}_{-0.023}$$ or $$M_{\

Thermodynamic Modeling and Optimization of the Copper Flash Converting Process Using the Equilibrium Constant Method

NASA Astrophysics Data System (ADS)

Li, Ming-zhou; Zhou, Jie-min; Tong, Chang-ren; Zhang, Wen-hai; Chen, Zhuo; Wang, Jin-liang

2018-05-01

Based on the principle of multiphase equilibrium, a mathematical model of the copper flash converting process was established by the equilibrium constant method, and a computational system was developed with the use of MetCal software platform. The mathematical model was validated by comparing simulated outputs, industrial data, and published data. To obtain high-quality blister copper, a low copper content in slag, and increased impurity removal rate, the model was then applied to investigate the effects of the operational parameters [oxygen/feed ratio (R OF), flux rate (R F), and converting temperature (T)] on the product weights, compositions, and the distribution behaviors of impurity elements. The optimized results showed that R OF, R F, and T should be controlled at approximately 156 Nm3/t, within 3.0 pct, and at approximately 1523 K (1250 °C), respectively.