Radiative transfer theory for active remote sensing of a layer of small ellipsoidal scatterers. [of vegetation

NASA Technical Reports Server (NTRS)

Tsang, L.; Kubacsi, M. C.; Kong, J. A.

1981-01-01

The radiative transfer theory is applied within the Rayleigh approximation to calculate the backscattering cross section of a layer of randomly positioned and oriented small ellipsoids. The orientation of the ellipsoids is characterized by a probability density function of the Eulerian angles of rotation. The radiative transfer equations are solved by an iterative approach to first order in albedo. In the half space limit the results are identical to those obtained via the approach of Foldy's and distorted Born approximation. Numerical results of the theory are illustrated using parameters encountered in active remote sensing of vegetation layers. A distinctive characteristic is the strong depolarization shown by vertically aligned leaves.

Distorted-wave methods for electron capture in ion-atom collisions

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

Burgdoerfer, J.; Taulbjerg, K.

1986-05-01

Distorted-wave methods for electron capture are discussed with emphasis on the surface term in the T matrix and on the properties of the associated integral equations. The surface term is generally nonvanishing if the distorted waves are sufficiently accurate to include parts of the considered physical process. Two examples are considered in detail. If distorted waves of the strong-potential Born-approximation (SPB) type are employed the surface term supplies the first-Born-approximation part of the T matrix. The surface term is shown to vanish in the continuum-distorted-wave (CDW) method. The integral kernel is in either case free of the dangerous disconnected termsmore » discussed by Greider and Dodd but the CDW theory is peculiar in the sense that its first-order approximation (CDW1) excludes a specific on-shell portion of the double-scattering term that is closely connected with the classical Thomas process. The latter is described by the second-order term in the CDW series. The distorted-wave Born approximation with SPB waves is shown to be free of divergences. In the limit of asymmetric collisions the DWB suggests a modification of the SPB approximation to avoid the divergence problem recently identified by Dewangan and Eichler.« less

Non-linear 3-D Born shear waveform tomography in Southeast Asia

NASA Astrophysics Data System (ADS)

Panning, Mark P.; Cao, Aimin; Kim, Ahyi; Romanowicz, Barbara A.

2012-07-01

Southeast (SE) Asia is a tectonically complex region surrounded by many active source regions, thus an ideal test bed for developments in seismic tomography. Much recent development in tomography has been based on 3-D sensitivity kernels based on the first-order Born approximation, but there are potential problems with this approach when applied to waveform data. In this study, we develop a radially anisotropic model of SE Asia using long-period multimode waveforms. We use a theoretical 'cascade' approach, starting with a large-scale Eurasian model developed using 2-D Non-linear Asymptotic Coupling Theory (NACT) sensitivity kernels, and then using a modified Born approximation (nBorn), shown to be more accurate at modelling waveforms, to invert a subset of the data for structure in a subregion (longitude 75°-150° and latitude 0°-45°). In this subregion, the model is parametrized at a spherical spline level 6 (˜200 km). The data set is also inverted using NACT and purely linear 3-D Born kernels. All three final models fit the data well, with just under 80 per cent variance reduction as calculated using the corresponding theory, but the nBorn model shows more detailed structure than the NACT model throughout and has much better resolution at depths greater than 250 km. Based on variance analysis, the purely linear Born kernels do not provide as good a fit to the data due to deviations from linearity for the waveform data set used in this modelling. The nBorn isotropic model shows a stronger fast velocity anomaly beneath the Tibetan Plateau in the depth range of 150-250 km, which disappears at greater depth, consistent with other studies. It also indicates moderate thinning of the high-velocity plate in the middle of Tibet, consistent with a model where Tibet is underplated by Indian lithosphere from the south and Eurasian lithosphere from the north, in contrast to a model with continuous underplating by Indian lithosphere across the entire plateau. The nBorn anisotropic model detects negative ξ anomalies suggestive of vertical deformation associated with subducted slabs and convergent zones at the Himalayan front and Tien Shan at depths near 150 km.

Bound and continuum energy distributions of nuclear fragments resulting from tunneling ionization of molecules

NASA Astrophysics Data System (ADS)

Svensmark, Jens; Tolstikhin, Oleg I.; Madsen, Lars Bojer

2018-03-01

We present the theory of tunneling ionization of molecules with both electronic and nuclear motion treated quantum mechanically. The theory provides partial rates for ionization into the different final states of the molecular ion, including both bound vibrational and dissociative channels. The exact results obtained for a one-dimensional model of H2 and D2 are compared with two approximate approaches, the weak-field asymptotic theory and the Born-Oppenheimer approximation. The validity ranges and compatibility of the approaches are identified formally and illustrated by the calculations. The results quantify that at typical field strengths considered in strong-field physics, it is several orders of magnitude more likely to ionize into bound vibrational ionic channels than into the dissociative channel.

Estimating the Gibbs energy of hydration from molecular dynamics trajectories obtained by integral equations of the theory of liquids in the RISM approximation

NASA Astrophysics Data System (ADS)

Tikhonov, D. A.; Sobolev, E. V.

2011-04-01

A method of integral equations of the theory of liquids in the reference interaction site model (RISM) approximation is used to estimate the Gibbs energy averaged over equilibrium trajectories computed by molecular mechanics. Peptide oxytocin is selected as the object of interest. The Gibbs energy is calculated using all chemical potential formulas introduced in the RISM approach for the excess chemical potential of solvation and is compared with estimates by the generalized Born model. Some formulas are shown to give the wrong sign of Gibbs energy changes when peptide passes from the gas phase into water environment; the other formulas give overestimated Gibbs energy changes with the right sign. Note that allowance for the repulsive correction in the approximate analytical expressions for the Gibbs energy derived by thermodynamic perturbation theory is not a remedy.

Time-dependent calculations of transfer ionization by fast proton-helium collision in one-dimensional kinematics

NASA Astrophysics Data System (ADS)

Serov, Vladislav V.; Kheifets, A. S.

2014-12-01

We analyze a transfer ionization (TI) reaction in the fast proton-helium collision H++He →H0+He2 ++ e- by solving a time-dependent Schrödinger equation (TDSE) under the classical projectile motion approximation in one-dimensional kinematics. In addition, we construct various time-independent analogs of our model using lowest-order perturbation theory in the form of the Born series. By comparing various aspects of the TDSE and the Born series calculations, we conclude that the recent discrepancies of experimental and theoretical data may be attributed to deficiency of the Born models used by other authors. We demonstrate that the correct Born series for TI should include the momentum-space overlap between the double-ionization amplitude and the wave function of the transferred electron.

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

PubMed

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

2018-02-28

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

Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions

PubMed Central

Babbush, Ryan; Parkhill, John; Aspuru-Guzik, Alán

2013-01-01

Feynman and Hibbs were the first to variationally determine an effective potential whose associated classical canonical ensemble approximates the exact quantum partition function. We examine the existence of a map between the local potential and an effective classical potential which matches the exact quantum equilibrium density and partition function. The usefulness of such a mapping rests in its ability to readily improve Born-Oppenheimer potentials for use with classical sampling. We show that such a map is unique and must exist. To explore the feasibility of using this result to improve classical molecular mechanics, we numerically produce a map from a library of randomly generated one-dimensional potential/effective potential pairs then evaluate its performance on independent test problems. We also apply the map to simulate liquid para-hydrogen, finding that the resulting radial pair distribution functions agree well with path integral Monte Carlo simulations. The surprising accessibility and transferability of the technique suggest a quantitative route to adapting Born-Oppenheimer potentials, with a motivation similar in spirit to the powerful ideas and approximations of density functional theory. PMID:24790954

Multiple outer-shell ionization effect in inner-shell x-ray production by light ions

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

Lapicki, G.; Mehta, R.; Duggan, J.L.

1986-11-01

L-shell x-ray production cross sections by 0.25--2.5-MeV /sub 2//sup 4/He/sup +/ ions in /sub 28/Ni, /sub 29/Cu, /sub 32/Ge, /sub 33/As, /sub 37/Rb, /sub 38/Sr, /sub 39/Y, /sub 40/Zr, and /sub 46/Pd are reported. The data are compared to the first Born approximation and the ECPSSR theory that accounts for the projectile energy loss (E) and Coulomb deflection (C) as well as the perturbed-stationary-state (PSS) and relativistic (R) effects in the treatment of the target L-shell electron. Surprisingly, the first Born approximation appears to converge to the data while the ECPSSR predictions underestimate them in the low-velocity limit. This ismore » explained as the result of improper use of single-hole fluorescence yields. A heuristic formula is proposed to account for multiple ionizations in terms of a classical probability for these phenomena and, after it is applied, the ECPSSR theory of L-shell ionization is found to be in good agreement with the data.« less

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Cross sections and rate coefficients for inner-shell excitation of Li-like ions with 6 < Z < 42

NASA Astrophysics Data System (ADS)

Safronova, U. I.; Safronova, M. S.; Kato, T.

1996-07-01

Excitation cross sections and rate coefficients by electron impact were calculated for the 1s22s-1s2s2p, 1s22s-1s2s2 and 1s22s-1s2p2 transitions of the Li-like ions (C IV, N V, O VI, Ne VIII, Mg X, Al XI, Si XII, S XIV, Ar XVI, Ca XVIII, Ti XX, Fe XXIV, Ni XXVI, Zn XXVIII, Ge XXX, Se XXXII, Kr XXXIV and Mo XXXX) in the Coulomb-Born approximation with exchange including relativistic effects and configuration interaction. Level energies, mixing coefficients and transition wavelengths and probabilities were also computed. Calculations performed by the 1/Z perturbation theory and Coulomb-Born approximation are compared with the R-matrix method and the distorted-wave approximation were Z is the nuclear charge. Formulae obtained for the angular factors of n-electron atomic system allow one to generalize this method to an arbitrary system of highly charged ions.

Exact and approximate many-body dynamics with stochastic one-body density matrix evolution

NASA Astrophysics Data System (ADS)

Lacroix, Denis

2005-06-01

We show that the dynamics of interacting fermions can be exactly replaced by a quantum jump theory in the many-body density matrix space. In this theory, jumps occur between densities formed of pairs of Slater determinants, Dab=|Φa><Φb|, where each state evolves according to the stochastic Schrödinger equation given by O. Juillet and Ph. Chomaz [Phys. Rev. Lett. 88, 142503 (2002)]. A stochastic Liouville-von Neumann equation is derived as well as the associated. Bogolyubov-Born-Green-Kirwood-Yvon hierarchy. Due to the specific form of the many-body density along the path, the presented theory is equivalent to a stochastic theory in one-body density matrix space, in which each density matrix evolves according to its own mean-field augmented by a one-body noise. Guided by the exact reformulation, a stochastic mean-field dynamics valid in the weak coupling approximation is proposed. This theory leads to an approximate treatment of two-body effects similar to the extended time-dependent Hartree-Fock scheme. In this stochastic mean-field dynamics, statistical mixing can be directly considered and jumps occur on a coarse-grained time scale. Accordingly, numerical effort is expected to be significantly reduced for applications.

Instability of quantum equilibrium in Bohm's dynamics

PubMed Central

Colin, Samuel; Valentini, Antony

2014-01-01

We consider Bohm's second-order dynamics for arbitrary initial conditions in phase space. In principle, Bohm's dynamics allows for ‘extended’ non-equilibrium, with initial momenta not equal to the gradient of phase of the wave function (as well as initial positions whose distribution departs from the Born rule). We show that extended non-equilibrium does not relax in general and is in fact unstable. This is in sharp contrast with de Broglie's first-order dynamics, for which non-standard momenta are not allowed and which shows an efficient relaxation to the Born rule for positions. On this basis, we argue that, while de Broglie's dynamics is a tenable physical theory, Bohm's dynamics is not. In a world governed by Bohm's dynamics, there would be no reason to expect to see an effective quantum theory today (even approximately), in contradiction with observation. PMID:25383020

Suburban migration and the birth outcome of Chicago-born white and African-American women: the merit of the healthy migrant theory?

PubMed

Collins, James W; Rankin, Kristin M; Janowiak, Christine M

2013-11-01

The healthy migrant theory posits that women who migrate before pregnancy are intrinsically healthier and therefore have better birth outcomes than those who don't move. Objective. To determine whether migration to the suburbs is associated with lower rates of preterm (<37 weeks) birth among Chicago-born White and African-American mothers. We performed stratified and multilevel logistic regression analyses on an Illinois transgenerational dataset of non-Latino White and African-American infants (1989-1991) and their mothers (1956-1976) with appended US census income information. Forty percent of Chicago-born White mothers (N = 45,135) migrated to Suburban Cook County and 30 % migrated to the more geographically distant collar counties. In contrast, 10 % of Chicago-born African-American mothers (N = 41,221) migrated to Suburban Cook and only two percent migrated to the collar counties. Chicago-born White and African-American migrant mothers to Suburban Cook County had lower preterm birth rates than their non-migrant counterparts; RR = 0.8 (0.8-0.9) and 0.8 (0.7-0.8), respectively. When neighborhood income was singularly taken into account, the protective association of suburban migration and preterm birth disappeared among Chicago-born Whites. In race-specific multilevel multivariate regression models which included neighborhood income, the adjusted odds ratio of preterm birth, low birth weight, and small for gestational-age for Chicago-born White and African-American migrant (compared to non-migrant) mothers approximated unity. Neighborhood income underlies the protective association of suburban migration and birth outcome among Chicago-born White and African-American mothers. These findings do not support the healthy migrant hypothesis of reproductive outcome.

Polarized optical scattering by inhomogeneities and surface roughness in an anisotropic thin film

DOE PAGES

Germer, Thomas A.; Sharma, Katelynn A.; Brown, Thomas G.; ...

2017-10-18

We extend the theory for scattering by oblique columnar structure thin films to include the induced form birefringence and the propagation of radiation in those films. We generalize the 4 × 4 matrix theory to include arbitrary sources in the layer, which are necessary to determine the Green function for the inhomogeneous wave equation. We further extend first-order vector perturbation theory for scattering by roughness in the smooth surface limit, when the layer is anisotropic. Scattering by an inhomogeneous medium is approximated by a distorted Born approximation, where effective medium theory is used to determine the effective properties of themore » medium and strong fluctuation theory is used to determine the inhomogeneous sources. In this manner, we develop a model for scattering by inhomogeneous films, with anisotropic correlation functions. Here, the results are compared to Mueller matrix bidirectional scattering distribution function measurements for a glancing-angle deposition (GLAD) film. While the results are applied to the GLAD film example, the development of the theory is general enough that it can guide simulations for scattering in other anisotropic thin films.« less

Theoretical and experimental quantification of doubly and singly differential cross sections for electron-induced ionization of isolated tetrahydrofuran molecules

DOE PAGES

Champion, Christophe; Quinto, Michele A.; Bug, Marion U.; ...

2014-07-29

Electron-induced ionization of the commonly used surrogate of the DNA sugar-phosphate backbone, namely, the tetrahydrofuran molecule, is here theoretically described within the 1 st Born approximation by means of quantum-mechanical approach. Comparisons between theory and recent experiments are reported in terms of doubly and singly differential cross sections.

Born distorted-wave approximation applied to the H+ + He collisions at intermediate and high energies

NASA Astrophysics Data System (ADS)

Rahmanian, M.; Fathi, R.; Shojaei, F.

2017-11-01

The single-charge transfer process in collision of protons with helium atoms in their ground states is investigated. The model utilizes the second-order three-body Born distorted-wave approximation (BDW-3B) with correct Coulomb boundary conditions to calculate the differential and total cross sections at intermediate and high energies. The role of the passive electrons and electron-electron correlations are studied by comparing our results and the BDW-4B calculations with the complete perturbation potential. The present results are also compared with other theories, and the Thomas scattering mechanism is investigated. The obtained results are also compared with the recent experimental measurements. For the prior differential cross sections, the comparisons show better agreement with the experiments at smaller scattering angles. The agreement between the total cross sections and the BDW-4B results as well as the experimental data is good at higher impact energies.

High-frequency Born synthetic seismograms based on coupled normal modes

USGS Publications Warehouse

Pollitz, Fred F.

2011-01-01

High-frequency and full waveform synthetic seismograms on a 3-D laterally heterogeneous earth model are simulated using the theory of coupled normal modes. The set of coupled integral equations that describe the 3-D response are simplified into a set of uncoupled integral equations by using the Born approximation to calculate scattered wavefields and the pure-path approximation to modulate the phase of incident and scattered wavefields. This depends upon a decomposition of the aspherical structure into smooth and rough components. The uncoupled integral equations are discretized and solved in the frequency domain, and time domain results are obtained by inverse Fourier transform. Examples show the utility of the normal mode approach to synthesize the seismic wavefields resulting from interaction with a combination of rough and smooth structural heterogeneities. This approach is applied to an ∼4 Hz shallow crustal wave propagation around the site of the San Andreas Fault Observatory at Depth (SAFOD).

Vibrational and rotational transitions in low-energy electron-diatomic-molecule collisions. I - Close-coupling theory in the moving body-fixed frame. II - Hybrid theory and close-coupling theory: An /l subscript z-prime/-conserving close-coupling approximation

NASA Technical Reports Server (NTRS)

Choi, B. H.; Poe, R. T.

1977-01-01

A detailed vibrational-rotational (V-R) close-coupling formulation of electron-diatomic-molecule scattering is developed in which the target molecular axis is chosen to be the z-axis and the resulting coupled differential equation is solved in the moving body-fixed frame throughout the entire interaction region. The coupled differential equation and asymptotic boundary conditions in the body-fixed frame are given for each parity, and procedures are outlined for evaluating V-R transition cross sections on the basis of the body-fixed transition and reactance matrix elements. Conditions are discussed for obtaining identical results from the space-fixed and body-fixed formulations in the case where a finite truncated basis set is used. The hybrid theory of Chandra and Temkin (1976) is then reformulated, relevant expressions and formulas for the simultaneous V-R transitions of the hybrid theory are obtained in the same forms as those of the V-R close-coupling theory, and distorted-wave Born-approximation expressions for the cross sections of the hybrid theory are presented. A close-coupling approximation that conserves the internuclear axis component of the incident electronic angular momentum (l subscript z-prime) is derived from the V-R close-coupling formulation in the moving body-fixed frame.

Dynamic Structure Factor: An Introduction

NASA Astrophysics Data System (ADS)

Sturm, K.

1993-02-01

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

Inelastic cross sections for low-energy electrons in liquid water: exchange and correlation effects.

PubMed

Emfietzoglou, Dimitris; Kyriakou, Ioanna; Garcia-Molina, Rafael; Abril, Isabel; Nikjoo, Hooshang

2013-11-01

Low-energy electrons play a prominent role in radiation therapy and biology as they are the largest contributor to the absorbed dose. However, no tractable theory exists to describe the interaction of low-energy electrons with condensed media. This article presents a new approach to include exchange and correlation (XC) effects in inelastic electron scattering at low energies (below ∼10 keV) in the context of the dielectric theory. Specifically, an optical-data model of the dielectric response function of liquid water is developed that goes beyond the random phase approximation (RPA) by accounting for XC effects using the concept of the many-body local-field correction (LFC). It is shown that the experimental energy-loss-function of liquid water can be reproduced by including into the RPA dispersion relations XC effects (up to second order) calculated in the time-dependent local-density approximation with the addition of phonon-induced broadening in N. D. Mermin's relaxation-time approximation. Additional XC effects related to the incident and/or struck electrons are included by means of the vertex correction calculated by a modified Hubbard formula for the exchange-only LFC. Within the first Born approximation, the present XC corrections cause a significantly larger reduction (∼10-50%) to the inelastic cross section compared to the commonly used Mott and Ochkur approximations, while also yielding much better agreement with the recent experimental data for amorphous ice. The current work offers a manageable, yet rigorous, approach for including non-Born effects in the calculation of inelastic cross sections for low-energy electrons in liquid water, which due to its generality, can be easily extended to other condensed media.

Ab initio design of laser pulses to control molecular motion

NASA Astrophysics Data System (ADS)

Balint-Kurti, Gabriel; Ren, Qinghua; Manby, Frederick; Artamonov, Maxim; Ho, Tak-San; Rabitz, Herschel; Zou, Shiyang; Singh, Harjinder

2007-03-01

Our recent attempts to design laser pulses entirely theoretically, in a quantitative and accurate manner, so as to fully understand the underlying mechanisms active in the control process will be outlined. We have developed a new Born-Oppenheimer like separation called the electric-nuclear Born-Oppenheimer (ENBO) approximation. In this approximation variations of both the nuclear geometry and of the external electric field are assumed to be slow compared with the speed at which the electronic degrees of freedom respond to these changes. This assumption permits the generation of a potential energy surface that depends not only on the relative geometry of the nuclei, but also on the electric field strength and on the orientation of the molecule with respect to the electric field. The range of validity of the ENBO approximation is discussed. Optimal control theory is used along with the ENBO approximation to design laser pulses for exciting vibrational and rotational motion in H2 and CO molecules. Progress on other applications, including controlling photodissociation processes, isotope separation, stabilization of molecular Bose-Einstein condensates as well as applications to biological molecules also be presented. *Support acknowledged from EPSRC.

Born approximation in linear-time invariant system

NASA Astrophysics Data System (ADS)

Gumjudpai, Burin

2017-09-01

An alternative way of finding the LTI’s solution with the Born approximation, is investigated. We use Born approximation in the LTI and in the transformed LTI in form of Helmholtz equation. General solution are considered as infinite series or Feynman graph. Slow-roll approximation are explored. Transforming the LTI system into Helmholtz equation, approximated general solution can be found for any given forms of force with its initial value.

Self-consistent-field perturbation theory for the Schröautdinger equation

NASA Astrophysics Data System (ADS)

Goodson, David Z.

1997-06-01

A method is developed for using large-order perturbation theory to solve the systems of coupled differential equations that result from the variational solution of the Schröautdinger equation with wave functions of product form. This is a noniterative, computationally efficient way to solve self-consistent-field (SCF) equations. Possible applications include electronic structure calculations using products of functions of collective coordinates that include electron correlation, vibrational SCF calculations for coupled anharmonic oscillators with selective coupling of normal modes, and ab initio calculations of molecular vibration spectra without the Born-Oppenheimer approximation.

Diagonal Born-Oppenheimer correction for coupled-cluster wave-functions

NASA Astrophysics Data System (ADS)

Shamasundar, K. R.

2018-06-01

We examine how geometry-dependent normalisation freedom of electronic wave-functions affects extraction of a meaningful diagonal Born-Oppenheimer correction (DBOC) to the ground-state Born-Oppenheimer potential energy surface (PES). By viewing this freedom as a kind of gauge-freedom, it is shown that DBOC and the resulting associated mass-dependent adiabatic PES are gauge-invariant quantities. A sum-over-states (SOS) formula for DBOC which explicitly exhibits this invariance is derived. A biorthogonal formulation suitable for DBOC computations using standard unnormalised coupled-cluster (CC) wave-functions is presented. This is shown to lead to a biorthogonal version of SOS formula with similar properties. On this basis, different computational schemes for evaluating DBOC using approximate CC wave-functions are derived. One of this agrees with the formula used in the current literature. The connection to adiabatic-to-diabatic transformations in non-adiabatic dynamics is explored and complications arising from biorthogonal nature of CC theory are identified.

Theory of dissociative tunneling ionization

NASA Astrophysics Data System (ADS)

Svensmark, Jens; Tolstikhin, Oleg I.; Madsen, Lars Bojer

2016-05-01

We present a theoretical study of the dissociative tunneling ionization process. Analytic expressions for the nuclear kinetic energy distribution of the ionization rates are derived. A particularly simple expression for the spectrum is found by using the Born-Oppenheimer (BO) approximation in conjunction with the reflection principle. These spectra are compared to exact non-BO ab initio spectra obtained through model calculations with a quantum mechanical treatment of both the electronic and nuclear degrees of freedom. In the regime where the BO approximation is applicable, imaging of the BO nuclear wave function is demonstrated to be possible through reverse use of the reflection principle, when accounting appropriately for the electronic ionization rate. A qualitative difference between the exact and BO wave functions in the asymptotic region of large electronic distances is shown. Additionally, the behavior of the wave function across the turning line is seen to be reminiscent of light refraction. For weak fields, where the BO approximation does not apply, the weak-field asymptotic theory describes the spectrum accurately.

Correction of the near threshold behavior of electron collisional excitation cross-sections in the plane-wave Born approximation

NASA Astrophysics Data System (ADS)

Kilcrease, D. P.; Brookes, S.

2013-12-01

The modeling of NLTE plasmas requires the solution of population rate equations to determine the populations of the various atomic levels relevant to a particular problem. The equations require many cross sections for excitation, de-excitation, ionization and recombination. A simple and computational fast way to calculate electron collisional excitation cross-sections for ions is by using the plane-wave Born approximation. This is essentially a high-energy approximation and the cross section suffers from the unphysical problem of going to zero near threshold. Various remedies for this problem have been employed with varying degrees of success. We present a correction procedure for the Born cross-sections that employs the Elwert-Sommerfeld factor to correct for the use of plane waves instead of Coulomb waves in an attempt to produce a cross-section similar to that from using the more time consuming Coulomb Born approximation. We compare this new approximation with other, often employed correction procedures. We also look at some further modifications to our Born Elwert procedure and its combination with Y.K. Kim's correction of the Coulomb Born approximation for singly charged ions that more accurately approximate convergent close coupling calculations.

High-frequency Born synthetic seismograms based on coupled normal modes

USGS Publications Warehouse

Pollitz, F.

2011-01-01

High-frequency and full waveform synthetic seismograms on a 3-D laterally heterogeneous earth model are simulated using the theory of coupled normal modes. The set of coupled integral equations that describe the 3-D response are simplified into a set of uncoupled integral equations by using the Born approximation to calculate scattered wavefields and the pure-path approximation to modulate the phase of incident and scattered wavefields. This depends upon a decomposition of the aspherical structure into smooth and rough components. The uncoupled integral equations are discretized and solved in the frequency domain, and time domain results are obtained by inverse Fourier transform. Examples show the utility of the normal mode approach to synthesize the seismic wavefields resulting from interaction with a combination of rough and smooth structural heterogeneities. This approach is applied to an ~4 Hz shallow crustal wave propagation around the site of the San Andreas Fault Observatory at Depth (SAFOD). ?? The Author Geophysical Journal International ?? 2011 RAS.

Prevalence of direct-reaction mechanism in a deeply inelastic reaction, /sup 197/Au(/sup 19/F,/sup 12/B)

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

Ishihara, M.; Shimoda, T.; Froehlich, H.

1979-07-09

Continuum cross sections and spin polarizations of /sup 12/B produced in the reaction /sup 197/Au(/sup 19/F,/sup 12/B) induced by 186-MeV/sup 19/F were measured. The observed data were reproduced very well in terms of a distorted-wave Born-approximation theory, indicating that this reaction transferring as many as seven nucleons proceeds as a direct process.

Towards the quantization of Eddington-inspired-Born-Infeld theory

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

Bouhmadi-López, Mariam; Chen, Che-Yu, E-mail: mbl@ubi.pt, E-mail: b97202056@gmail.com

2016-11-01

The quantum effects close to the classical big rip singularity within the Eddington-inspired-Born-Infeld theory (EiBI) are investigated through quantum geometrodynamics. It is the first time that this approach is applied to a modified theory constructed upon Palatini formalism. The Wheeler-DeWitt (WDW) equation is obtained and solved based on an alternative action proposed in ref. [1], under two different factor ordering choices. This action is dynamically equivalent to the original EiBI action while it is free of square root of the spacetime curvature. We consider a homogeneous, isotropic and spatially flat universe, which is assumed to be dominated by a phantommore » perfect fluid whose equation of state is a constant. We obtain exact solutions of the WDW equation based on some specific conditions. In more general cases, we propose a qualitative argument with the help of a Wentzel-Kramers-Brillouin (WKB) approximation to get further solutions. Besides, we also construct an effective WDW equation by simply promoting the classical Friedmann equations. We find that for all the approaches considered, the DeWitt condition hinting singularity avoidance is satisfied. Therefore the big rip singularity is expected to be avoided through the quantum approach within the EiBI theory.« less

Correction of the near threshold behavior of electron collisional excitation cross-sections in the plane-wave Born approximation

DOE PAGES

Kilcrease, D. P.; Brookes, S.

2013-08-19

The modeling of NLTE plasmas requires the solution of population rate equations to determine the populations of the various atomic levels relevant to a particular problem. The equations require many cross sections for excitation, de-excitation, ionization and recombination. Additionally, a simple and computational fast way to calculate electron collisional excitation cross-sections for ions is by using the plane-wave Born approximation. This is essentially a high-energy approximation and the cross section suffers from the unphysical problem of going to zero near threshold. Various remedies for this problem have been employed with varying degrees of success. We present a correction procedure formore » the Born cross-sections that employs the Elwert–Sommerfeld factor to correct for the use of plane waves instead of Coulomb waves in an attempt to produce a cross-section similar to that from using the more time consuming Coulomb Born approximation. We compare this new approximation with other, often employed correction procedures. Furthermore, we also look at some further modifications to our Born Elwert procedure and its combination with Y.K. Kim's correction of the Coulomb Born approximation for singly charged ions that more accurately approximate convergent close coupling calculations.« less

Polarized optical scattering by inhomogeneities and surface roughness in an anisotropic thin film.

PubMed

Germer, Thomas A; Sharma, Katelynn A; Brown, Thomas G; Oliver, James B

2017-11-01

We extend the theory of Kassam et al. [J. Opt. Soc. Am. A12, 2009 (1995)JOAOD60740-323210.1364/JOSAA.12.002009] for scattering by oblique columnar structure thin films to include the induced form birefringence and the propagation of radiation in those films. We generalize the 4×4 matrix theory of Berreman [J. Opt. Soc. Am.62, 502 (1972)JOSAAH0030-394110.1364/JOSA.62.000502] to include arbitrary sources in the layer, which are necessary to determine the Green function for the inhomogeneous wave equation. We further extend first-order vector perturbation theory for scattering by roughness in the smooth surface limit, when the layer is anisotropic. Scattering by an inhomogeneous medium is approximated by a distorted Born approximation, where effective medium theory is used to determine the effective properties of the medium, and strong fluctuation theory is used to determine the inhomogeneous sources. In this manner, we develop a model for scattering by inhomogeneous films, with anisotropic correlation functions. The results are compared with Mueller matrix bidirectional scattering distribution function measurements for a glancing-angle deposition (GLAD) film. While the results are applied to the GLAD film example, the development of the theory is general enough that it can guide simulations for scattering in other anisotropic thin films.

M-shell x-ray production cross sections for 19 elements in the range Z=54-92 by H/sup +/, He/sup +/ and He/sup + +/ ions from 300 keV to 40 MeV. [Xe, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Yb, Hf, Ta, W, Pt, Au, Hg, Pb, Bi, and U

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

Mehta, R.; Duggan, J.L.; Kocur, P.M.

1983-04-01

In this report, the measurements done over the last three decades at various laboratories are surveyed. The elements studied were Xe, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Yb, Hf, Ta, W, Pt, Au, Hg, Pb, Bi, and U. The projectile energies investigated range from 300 keV to 40 MeV for the protons and 250 keV to 2.5 MeV for He/sup +/ ions. Also reported are the M-shell x-ray production cross sections of some rare-earth elements recently measured at NTSU. For these measurements the energy of incident /sup 1/H/sup +/ and /sup 4/He/sup +/ ions ranged from 0.25 tomore » 2.5 MeV. The experimental data are compared to the M-shell ionization cross section predictions of first Born approximation, i.e. the PWBA for direct ionization plus the OBK of Nikolaev for electron capture. Comparison is also made with the theory by Brandt and Lapicki that goes beyond the first Born approximation, i.e. the ECPSSR approach which accounts for the Energy loss, Coulomb deflection and Relativistic effects in the Perturbed Stationary State theory.« less

Performance of different theories for the angular distribution of bremsstrahlung produced by keV electrons incident upon a target

NASA Astrophysics Data System (ADS)

Omar, Artur; Andreo, Pedro; Poludniowski, Gavin

2018-07-01

Different theories of the intrinsic bremsstrahlung angular distribution (i.e., the shape function) have been evaluated using Monte Carlo calculations for various target materials and incident electron energies between 20 keV and 300 keV. The shape functions considered were the plane-wave first Born approximation cross sections (i) 2BS [high-energy result, screened nucleus], (ii) 2BN [general result, bare nucleus], (iii) KM [2BS modified to emulate 2BN], and (iv) SIM [leading term of 2BN]; (v) expression based on partial-waves expansion, KQP; and (vi) a uniform spherical distribution, UNI [a common approximation in certain analytical models]. The shape function was found to have an important impact on the bremsstrahlung emerging from thin foil targets in which the incident electrons undergo few elastic scatterings before exiting the target material. For thick transmission and reflection targets the type of shape function had less importance, as the intrinsic bremsstrahlung angular distribution was masked by the diffuse directional distribution of multiple scattered electrons. Predictions made using the 2BN and KQP theories were generally in good agreement, suggesting that the effect of screening and the constraints of the Born approximation on the intrinsic angular distribution may be acceptable. The KM and SIM shape functions deviated notably from KQP for low electron energies (< 50 keV), while 2BS and UNI performed poorly over most of the energy range considered; the 2BS shape function was found to be too forward-focused in emission, while UNI was not forward-focused enough. The results obtained emphasize the importance of the intrinsic bremsstrahlung angular distribution for theoretical predictions of x-ray emission, which is relevant in various applied disciplines, including x-ray crystallography, electron-probe microanalysis, security and industrial inspection, medical imaging, as well as low- and medium (orthovoltage) energy radiotherapy.

Heisenberg-Langevin versus quantum master equation

NASA Astrophysics Data System (ADS)

Boyanovsky, Daniel; Jasnow, David

2017-12-01

The quantum master equation is an important tool in the study of quantum open systems. It is often derived under a set of approximations, chief among them the Born (factorization) and Markov (neglect of memory effects) approximations. In this article we study the paradigmatic model of quantum Brownian motion of a harmonic oscillator coupled to a bath of oscillators with a Drude-Ohmic spectral density. We obtain analytically the exact solution of the Heisenberg-Langevin equations, with which we study correlation functions in the asymptotic stationary state. We compare the exact correlation functions to those obtained in the asymptotic long time limit with the quantum master equation in the Born approximation with and without the Markov approximation. In the latter case we implement a systematic derivative expansion that yields the exact asymptotic limit under the factorization approximation only. We find discrepancies that could be significant when the bandwidth of the bath Λ is much larger than the typical scales of the system. We study the exact interaction energy as a proxy for the correlations missed by the Born approximation and find that its dependence on Λ is similar to the discrepancy between the exact solution and that of the quantum master equation in the Born approximation. We quantify the regime of validity of the quantum master equation in the Born approximation with or without the Markov approximation in terms of the system's relaxation rate γ , its unrenormalized natural frequency Ω and Λ : γ /Ω ≪1 and also γ Λ /Ω2≪1 . The reliability of the Born approximation is discussed within the context of recent experimental settings and more general environments.

On Born approximation in black hole scattering

NASA Astrophysics Data System (ADS)

Batic, D.; Kelkar, N. G.; Nowakowski, M.

2011-12-01

A massless field propagating on spherically symmetric black hole metrics such as the Schwarzschild, Reissner-Nordström and Reissner-Nordström-de Sitter backgrounds is considered. In particular, explicit formulae in terms of transcendental functions for the scattering of massless scalar particles off black holes are derived within a Born approximation. It is shown that the conditions on the existence of the Born integral forbid a straightforward extraction of the quasi normal modes using the Born approximation for the scattering amplitude. Such a method has been used in literature. We suggest a novel, well defined method, to extract the large imaginary part of quasinormal modes via the Coulomb-like phase shift. Furthermore, we compare the numerically evaluated exact scattering amplitude with the Born one to find that the approximation is not very useful for the scattering of massless scalar, electromagnetic as well as gravitational waves from black holes.

Investigation of Extensions to the Distorted Born Approximation in Strong Fluctuation Theory

DTIC Science & Technology

1988-10-01

9316I * where D = 3/4[bop+b# J+ l/4b;) D = 1/4[ bpp +bo | (35)n12 b -bo( I D 13 =l/ 2 [Cppzz +C4zzI n Here -1 0~ o , bus(z,z)= (271) u I dl )acs (zl) am...that FXW = 1- 2X + 32. + 1 2(X) = 2 - 23 + + ... (-5 F (X) = 2 3 3 42 3 ’ + VX +.. D5 F3 (X) = 2/X + 3 gn X + ... Using (D-4) and (D-5) as guides for...showed that the rational approximations to Fir F2, F3 have maximum errors of .06%, .03%, and .06%, respectively. The integrals in (C-5) are completely

Nonequilibrium Green's functions and atom-surface dynamics: Simple views from a simple model system

NASA Astrophysics Data System (ADS)

Boström, E.; Hopjan, M.; Kartsev, A.; Verdozzi, C.; Almbladh, C.-O.

2016-03-01

We employ Non-equilibrium Green's functions (NEGF) to describe the real-time dynamics of an adsorbate-surface model system exposed to ultrafast laser pulses. For a finite number of electronic orbitals, the system is solved exactly and within different levels of approximation. Specifically i) the full exact quantum mechanical solution for electron and nuclear degrees of freedom is used to benchmark ii) the Ehrenfest approximation (EA) for the nuclei, with the electron dynamics still treated exactly. Then, using the EA, electronic correlations are treated with NEGF within iii) 2nd Born and with iv) a recently introduced hybrid scheme, which mixes 2nd Born self-energies with non-perturbative, local exchange- correlation potentials of Density Functional Theory (DFT). Finally, the effect of a semi-infinite substrate is considered: we observe that a macroscopic number of de-excitation channels can hinder desorption. While very preliminary in character and based on a simple and rather specific model system, our results clearly illustrate the large potential of NEGF to investigate atomic desorption, and more generally, the non equilibrium dynamics of material surfaces subject to ultrafast laser fields.

/sup 13/C(/sup 6/Li,t)/sup 16/O reaction in the 20--32 MeV incident energy range

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

Cunsolo, A.; Foti, A.; Imme, G.

1980-03-01

The reaction /sup 13/C(/sup 6/Li,t)/sup 16/O has been studied in the 20 --32 MeV incident energy range. Angular distributions have been measured at E/sup 6/Li/=28 MeV; the data have been analyzed in terms of Hauser-Feshbach and exact finite range distorted-wave Born-approximation theories. The extracted relative /sup 3/He spectroscopic strengths show a satisfactory independence from the optical model parameters.

Electronic structure calculation by nonlinear optimization: Application to metals

NASA Astrophysics Data System (ADS)

Benedek, R.; Min, B. I.; Woodward, C.; Garner, J.

1988-04-01

There is considerable interest in the development of novel algorithms for the calculation of electronic structure (e.g., at the level of the local-density approximation of density-functional theory). In this paper we consider a first-order equation-of-motion method. Two methods of solution are described, one proposed by Williams and Soler, and the other base on a Born-Dyson series expansion. The extension of the approach to metallic systems is outlined and preliminary numerical calculations for Zintl-phase NaTl are presented.

Tetraquark resonances computed with static lattice QCD potentials and scattering theory

NASA Astrophysics Data System (ADS)

Bicudo, Pedro; Cardoso, Marco; Peters, Antje; Pflaumer, Martin; Wagner, Marc

2018-03-01

We study tetraquark resonances with lattice QCD potentials computed for two static quarks and two dynamical quarks, the Born-Oppenheimer approximation and the emergent wave method of scattering theory. As a proof of concept we focus on systems with isospin I = 0, but consider different relative angular momenta l of the heavy b quarks. We compute the phase shifts and search for S and T matrix poles in the second Riemann sheet. We predict a new tetraquark resonance for l = 1, decaying into two B mesons, with quantum numbers I(JP) = 0(1-), mass m = 10576-4+4 MeV and decay width Γ = 112-103+90 MeV.

Track-structure simulations for charged particles.

PubMed

Dingfelder, Michael

2012-11-01

Monte Carlo track-structure simulations provide a detailed and accurate picture of radiation transport of charged particles through condensed matter of biological interest. Liquid water serves as a surrogate for soft tissue and is used in most Monte Carlo track-structure codes. Basic theories of radiation transport and track-structure simulations are discussed and differences compared to condensed history codes highlighted. Interaction cross sections for electrons, protons, alpha particles, and light and heavy ions are required input data for track-structure simulations. Different calculation methods, including the plane-wave Born approximation, the dielectric theory, and semi-empirical approaches are presented using liquid water as a target. Low-energy electron transport and light ion transport are discussed as areas of special interest.

Single charge exchange between hydrogen-like projectiles and hydrogen atom: the post version of the BDW-4B approximation

NASA Astrophysics Data System (ADS)

Azizan, Sh; Shojaei, F.; Fathi, R.

2016-04-01

The post version of the four-body Born distorted wave method (BDW-4B) is applied to calculate the total cross section for single electron exchange in the collision of hydrogen-like projectiles with hydrogen atom. The post form of transition amplitude is obtained in terms of two-dimensional real integrals which can be computed numerically. This second-order theory which satisfies the correct boundary conditions is used for the collision of {{H}}, {{H}}{{{e}}}+, {{L}}{{{i}}}2+, {{{B}}}4+, {{{C}}}5+ with hydrogen atoms at intermediate and high impact energies. The validity of our results is assessed in comparison with available experimental data and other theories.

Theory of diatomic molecules in an external electromagnetic field from first quantum mechanical principles.

PubMed

Sindelka, Milan; Moiseyev, Nimrod

2006-04-27

We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to a variety of specific applications, such as alignment or orientation of molecules by lasers, trapping of ultracold molecules in optical traps, molecular optics and interferometry, rovibrational spectroscopy of molecules in the presence of intense laser light, or generation of high order harmonics from molecules. Starting from the first quantum mechanical principles, we derive an appropriate molecular Hamiltonian suitable for description of the center of mass, rotational, vibrational, and electronic molecular motions driven by the field within the electric dipole approximation. Consequently, the concept of the Born-Oppenheimer separation between the electronic and the nuclear degrees of freedom in the presence of an electromagnetic field is introduced. Special cases of the dc/ac-field limits are then discussed separately. Finally, we consider a perturbative regime of a weak dc/ac field, and obtain simple analytic formulas for the associated Born-Oppenheimer translational/rotational/vibrational molecular Hamiltonian.

Validation of Born Traveltime Kernels

NASA Astrophysics Data System (ADS)

Baig, A. M.; Dahlen, F. A.; Hung, S.

2001-12-01

Most inversions for Earth structure using seismic traveltimes rely on linear ray theory to translate observed traveltime anomalies into seismic velocity anomalies distributed throughout the mantle. However, ray theory is not an appropriate tool to use when velocity anomalies have scale lengths less than the width of the Fresnel zone. In the presence of these structures, we need to turn to a scattering theory in order to adequately describe all of the features observed in the waveform. By coupling the Born approximation to ray theory, the first order dependence of heterogeneity on the cross-correlated traveltimes (described by the Fréchet derivative or, more colourfully, the banana-doughnut kernel) may be determined. To determine for what range of parameters these banana-doughnut kernels outperform linear ray theory, we generate several random media specified by their statistical properties, namely the RMS slowness perturbation and the scale length of the heterogeneity. Acoustic waves are numerically generated from a point source using a 3-D pseudo-spectral wave propagation code. These waves are then recorded at a variety of propagation distances from the source introducing a third parameter to the problem: the number of wavelengths traversed by the wave. When all of the heterogeneity has scale lengths larger than the width of the Fresnel zone, ray theory does as good a job at predicting the cross-correlated traveltime as the banana-doughnut kernels do. Below this limit, wavefront healing becomes a significant effect and ray theory ceases to be effective even though the kernels remain relatively accurate provided the heterogeneity is weak. The study of wave propagation in random media is of a more general interest and we will also show our measurements of the velocity shift and the variance of traveltime compare to various theoretical predictions in a given regime.

Microwave scattering and emission from a half-space anisotropic random medium

NASA Astrophysics Data System (ADS)

Mudaliar, Saba; Lee, Jay Kyoon

1990-12-01

This paper is a sequel to an earlier paper (Lee and Mudaliar, 1988) where the backscattering coefficients of a half-space anisotropic random medium were obtained. Here the bistatic scattering coefficients are calculated by solving the modified radiative transfer equations under a first-order approximation. The effects of multiple scattering on the results are observed. Emissivities are calculated and compared with those obtained using the Born approximation (single scattering). Several interesting properties of the model are brought to notice using numerical examples. Finally, as an application, the theory is used to interpret the passive remote sensing data of multiyear sea ice in the microwave frequency range. A quite close agreement between theoretical prediction and the measured data is found.

Early Recollections of First-Borns.

ERIC Educational Resources Information Center

Fakouri, M. Ebrahim; Hafner, James L.

1984-01-01

Compared the early recollections of 50 first-borns and 98 later-borns. The first-borns mentioned significantly more nonfamily members, illness/injury, hospital/doctor's office. Later-borns mentioned significantly more siblings than did first-borns. Findings were discussed in the context of Adler's personality theory. (JAC)

Agreement of Experiment and Theory on the Single Ionization of Helium by Fast Proton Impact.

PubMed

Gassert, H; Chuluunbaatar, O; Waitz, M; Trinter, F; Kim, H-K; Bauer, T; Laucke, A; Müller, Ch; Voigtsberger, J; Weller, M; Rist, J; Pitzer, M; Zeller, S; Jahnke, T; Schmidt, L Ph H; Williams, J B; Zaytsev, S A; Bulychev, A A; Kouzakov, K A; Schmidt-Böcking, H; Dörner, R; Popov, Yu V; Schöffler, M S

2016-02-19

Even though the study of ion-atom collisions is a mature field of atomic physics, large discrepancies between experiment and theoretical calculations are still common. Here we present experimental results with high momentum resolution on the single ionization of helium induced by 1-MeV protons, and we compare these to theoretical calculations. The overall agreement is strikingly good, and even the first Born approximation yields good agreement between theory and experiment. This has been expected for several decades, but so far has not been accomplished. The influence of projectile coherence effects on the measured data is briefly discussed in terms of an ongoing dispute on the existence of nodal structures in the electron angular emission distributions.

Theory of inhomogeneous quantum systems. III. Variational wave functions for Fermi fluids

NASA Astrophysics Data System (ADS)

Krotscheck, E.

1985-04-01

We develop a general variational theory for inhomogeneous Fermi systems such as the electron gas in a metal surface, the surface of liquid 3He, or simple models of heavy nuclei. The ground-state wave function is expressed in terms of two-body correlations, a one-body attenuation factor, and a model-system Slater determinant. Massive partial summations of cluster expansions are performed by means of Born-Green-Yvon and hypernetted-chain techniques. An optimal single-particle basis is generated by a generalized Hartree-Fock equation in which the two-body correlations screen the bare interparticle interaction. The optimization of the pair correlations leads to a state-averaged random-phase-approximation equation and a strictly microscopic determination of the particle-hole interaction.

Experimental and theoretical double differential cross sections for electron impact ionization of methane

NASA Astrophysics Data System (ADS)

Yavuz, Murat; Ozer, Zehra Nur; Ulu, Melike; Champion, Christophe; Dogan, Mevlut

2016-04-01

Experimental and theoretical double differential cross sections (DDCSs) for electron-induced ionization of methane (CH4) are here reported for primary energies ranging from 50 eV to 350 eV and ejection angles between 25° and 130°. Experimental DDCSs are compared with theoretical predictions performed within the first Born approximation Coulomb wave. In this model, the initial molecular state is described by using single center wave functions, the incident (scattered) electron being described by a plane wave, while a Coulomb wave function is used for modeling the secondary ejected electron. A fairly good agreement may be observed between theory and experiment with nevertheless an expected systematic overestimation of the theory at low-ejection energies (<50 eV).

Is quantum theory a form of statistical mechanics?

NASA Astrophysics Data System (ADS)

Adler, S. L.

2007-05-01

We give a review of the basic themes of my recent book: Adler S L 2004 Quantum Theory as an Emergent Phenomenon (Cambridge: Cambridge University Press). We first give motivations for considering the possibility that quantum mechanics is not exact, but is instead an accurate asymptotic approximation to a deeper level theory. For this deeper level, we propose a non-commutative generalization of classical mechanics, that we call "trace dynamics", and we give a brief survey of how it works, considering for simplicity only the bosonic case. We then discuss the statistical mechanics of trace dynamics and give our argument that with suitable approximations, the Ward identities for trace dynamics imply that ensemble averages in the canonical ensemble correspond to Wightman functions in quantum field theory. Thus, quantum theory emerges as the statistical thermodynamics of trace dynamics. Finally, we argue that Brownian motion corrections to this thermodynamics lead to stochastic corrections to the Schrödinger equation, of the type that have been much studied in the "continuous spontaneous localization" model of objective state vector reduction. In appendices to the talk, we give details of the existence of a conserved operator in trace dynamics that encodes the structure of the canonical algebra, of the derivation of the Ward identities, and of the proof that the stochastically-modified Schrödinger equation leads to state vector reduction with Born rule probabilities.

Collisional excitation of the highly excited hydrogen atoms in the dipole form of the semiclassical impact parameter and Born approximations

NASA Technical Reports Server (NTRS)

Omidvar, K.

1971-01-01

Expressions for the excitation cross section of the highly excited states of the hydrogenlike atoms by fast charged particles have been derived in the dipole approximation of the semiclassical impact parameter and the Born approximations, making use of a formula for the asymptotic expansion of the oscillator strength of the hydrogenlike atoms given by Menzel. When only the leading term in the asymptotic expansion is retained, the expression for the cross section becomes identical to the expression obtained by the method of the classical collision and correspondence principle given by Percival and Richards. Comparisons are made between the Bethe coefficients obtained here and the Bethe coefficients of the Born approximation for transitions where the Born calculation is available. Satisfactory agreement is obtained only for n yields n + 1 transitions, with n the principal quantum number of the excited state.

Electric transition dipole moment in pre-Born-Oppenheimer molecular structure theory.

PubMed

Simmen, Benjamin; Mátyus, Edit; Reiher, Markus

2014-10-21

This paper presents the calculation of the electric transition dipole moment in a pre-Born-Oppenheimer framework. Electrons and nuclei are treated equally in terms of the parametrization of the non-relativistic total wave function, which is written as a linear combination of basis functions constructed from explicitly correlated Gaussian functions and the global vector representation. The integrals of the electric transition dipole moment are derived corresponding to these basis functions in both the length and the velocity representation. The calculations are performed in laboratory-fixed Cartesian coordinates without relying on coordinates which separate the center of mass from the translationally invariant degrees of freedom. The effect of the overall motion is eliminated through translationally invariant integral expressions. The electric transition dipole moment is calculated between two rovibronic levels of the H2 molecule assignable to the lowest rovibrational states of the X (1)Σ(g)(+) and B (1)Σ(u)(+) electronic states in the clamped-nuclei framework. This is the first evaluation of this quantity in a full quantum mechanical treatment without relying on the Born-Oppenheimer approximation.

Generation of electron vortex states in ionization by intense and short laser pulses

NASA Astrophysics Data System (ADS)

Vélez, F. Cajiao; Krajewska, K.; Kamiński, J. Z.

2018-04-01

The generation of electron vortex states in ionization by intense and short laser pulses is analyzed under the scope of the lowest-order Born approximation. For near-infrared laser fields and nonrelativistic intensities of the order of 1016 W /cm2 , we show that one has to modify the nonrelativistic treatment of ionization by accounting for recoil and relativistic mass corrections. By using the corrected quasirelativistic theory, the requirements for the observation of electron vortex states with non-negligible probability and large topological charge are determined.

Remote sensing of Earth terrain

NASA Technical Reports Server (NTRS)

Kong, Jin AU

1987-01-01

Earth terrain covers were modeled as random media characterized by different dielectric constants and correlation functions. In order to model sea ice with brine inclusions and vegetation with row structures, the random medium is assumed to be anisotropic. A three layer model is used to simulate a vegetation field or a snow covered ice field with the top layer being snow or leaves, the middle layer being ice or trunks, and the bottom layer being sea water or ground. The strong fluctuation theory with the distorted Born approximation is applied to the solution of the radar backscattering coefficients.

On the Mass of Atoms in Molecules: Beyond the Born-Oppenheimer Approximation

NASA Astrophysics Data System (ADS)

Scherrer, Arne; Agostini, Federica; Sebastiani, Daniel; Gross, E. K. U.; Vuilleumier, Rodolphe

2017-07-01

Describing the dynamics of nuclei in molecules requires a potential energy surface, which is traditionally provided by the Born-Oppenheimer or adiabatic approximation. However, we also need to assign masses to the nuclei. There, the Born-Oppenheimer picture does not account for the inertia of the electrons, and only bare nuclear masses are considered. Nowadays, experimental accuracy challenges the theoretical predictions of rotational and vibrational spectra and requires the participation of electrons in the internal motion of the molecule. More than 80 years after the original work of Born and Oppenheimer, this issue has still not been solved, in general. Here, we present a theoretical and numerical framework to address this problem in a general and rigorous way. Starting from the exact factorization of the electron-nuclear wave function, we include electronic effects beyond the Born-Oppenheimer regime in a perturbative way via position-dependent corrections to the bare nuclear masses. This maintains an adiabaticlike point of view: The nuclear degrees of freedom feel the presence of the electrons via a single potential energy surface, whereas the inertia of electrons is accounted for and the total mass of the system is recovered. This constitutes a general framework for describing the mass acquired by slow degrees of freedom due to the inertia of light, bounded particles; thus, it is applicable not only in electron-nuclear systems but in light-heavy nuclei or ions as well. We illustrate this idea with a model of proton transfer, where the light particle is the proton and the heavy particles are the oxygen atoms to which the proton is bounded. Inclusion of the light-particle inertia allows us to gain orders of magnitude in accuracy. The electron-nuclear perspective is adopted, instead, to calculate position-dependent mass corrections using density functional theory for a few polyatomic molecules at their equilibrium geometry. These data can serve as input for the computation of high-precision molecular spectra.

Inelastic transport theory from first principles: Methodology and application to nanoscale devices

NASA Astrophysics Data System (ADS)

Frederiksen, Thomas; Paulsson, Magnus; Brandbyge, Mads; Jauho, Antti-Pekka

2007-05-01

We describe a first-principles method for calculating electronic structure, vibrational modes and frequencies, electron-phonon couplings, and inelastic electron transport properties of an atomic-scale device bridging two metallic contacts under nonequilibrium conditions. The method extends the density-functional codes SIESTA and TRANSIESTA that use atomic basis sets. The inelastic conductance characteristics are calculated using the nonequilibrium Green’s function formalism, and the electron-phonon interaction is addressed with perturbation theory up to the level of the self-consistent Born approximation. While these calculations often are computationally demanding, we show how they can be approximated by a simple and efficient lowest order expansion. Our method also addresses effects of energy dissipation and local heating of the junction via detailed calculations of the power flow. We demonstrate the developed procedures by considering inelastic transport through atomic gold wires of various lengths, thereby extending the results presented in Frederiksen [Phys. Rev. Lett. 93, 256601 (2004)]. To illustrate that the method applies more generally to molecular devices, we also calculate the inelastic current through different hydrocarbon molecules between gold electrodes. Both for the wires and the molecules our theory is in quantitative agreement with experiments, and characterizes the system-specific mode selectivity and local heating.

The Acculturation Experiences of Foreign-Born Students of Color in Physics

ERIC Educational Resources Information Center

Fries-Britt, Sharon; George Mwangi, Chrystal A.; Peralta, Alicia M.

2014-01-01

This study focuses on 15 foreign-born students majoring in physics who are also racial/ethnic minorities. We address the research question: What are the acculturation experiences of foreign-born Students of Color majoring in physics? Berry's (2003) theory of acculturation and Bandura's (1994) theory of self-efficacy were substantive…

Solitons and black holes in non-Abelian Einstein-Born-Infeld theory

NASA Astrophysics Data System (ADS)

Dyadichev, V. V.; Gal'tsov, D. V.

2000-08-01

Recently it was shown that the Born-Infeld modification of the quadratic Yang-Mills action gives rise to classical particle-like solutions in the flat space which have a striking similarity with the Bartnik-McKinnon solutions obtained within the gravity coupled Yang-Mills theory. We show that both families of solutions are continuously related within the framework of the Einstein-Born-Infeld theory via interpolating sequences of parameters. We also investigate an internal structure of the associated black holes and find that the Born-Infeld non-linearity changes drastically the black hole interior typical for the usual quadratic Yang-Mills theory. In the latter case a generic solution exhibits violent metric oscillations near the singularity. In the Born-Infeld case the generic interior solution is smooth, the metric tends to the standard Schwarzschild type singularity, and we did not observe internal horizons. Smoothing of the `violent' EYM singularity may be interpreted as a result of non-gravitational quantum effects.

Pseudostate methods and differential cross sections for antiproton ionization of atomic hydrogen and helium

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

McGovern, M.; Walters, H. R. J.; Assafrao, D.

2010-03-15

A relaxed form of a recent impact parameter coupled pseudostate approximation of McGovern et al. [Phys. Rev. A 79, 042707 (2009)] for calculating differential ionization cross sections is proposed. This greatly eases the computational burden in cases where a range of ejected electron energies has to be considered. The relaxed approximation is tested against exact first Born calculations for antiproton impact on H and nonperturbatively for the highly nonperturbative system of Au{sup 53+} incident upon He. The approximation performs well in these tests. It is shown how, with a little further approximation, the relaxed theory leads to a widely usedmore » prescription for the total ionization cross section. Results for differential ionization of H and He by antiprotons are presented. These reveal the growing dominance of the interaction between the antiproton and the target nucleus at low impact energies and show the changing importance of the role of the postcollisional interaction between the antiproton and the ejected electron.« less

Topics in electron capture by fast ions

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

Hsin, S.H.

1987-01-01

The post-collision interaction (PCI) model was applied, together with the eikonal approximation, to study the (n = 2,3) capture cross sections in p + H(ls) collisions. The results indeed improve the previous eikonal calculations for l = 0 cases, and agree quite well with present experimental data. Calculations using the strong-potential Born (SPB) approximation, with the Sil and McGuire technique, for capture into the np, nd levels are also presented. While these cross sections are smaller than cross sections for capture into the ns levels at high velocities, nevertheless the Thomas peak is clearly evident in both the absolute valuemore » m = 2, absolute value m = 1 and m = 0 magnetic substates in p + H(ls) collisions. Also calculated were corrections to the SPB using the Distorted-Wave Born formalism of Taulbjerg and Briggs. In the sense of a plane-wave Born expansion, all terms of the third Born approximation and all single switching fourth Born terms are included, but a peaking approximation is needed to reduce the calculation to tractable form. Effects of the higher terms are most visible in the valley between the Thomas peak and the forward peak. The Thomas peak is visible in the correction term, even though it includes no second Born contributions.« less

Theory of the stopping power of fast multicharged ions

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

Yudin, G.L.

1991-12-01

The processes of Coulomb excitation and ionization of atoms by a fast charged particle moving along a classical trajectory are studied. The target electrons are described by the Dirac equation, while the field of the incident particle is described by the Lienard-Wiechert potential. The theory is formulated in the form most convenient for investigation of various characteristics of semiclassical atomic collisions. The theory of sudden perturbations, which is valid at high enough velocities for a high projectile charge, is employed to obtain probabilities and cross sections of the Coulomb excitation and ionization of atomic hydrogen by fast multiply charged ions.more » Based on the semiclassical sudden Born approximation, the ionization cross section and the average electronic energy loss of a fast ion in a single collision with an atom are investigated over a wide specific energy range from 500 keV/amu to 50 MeV/amu.« less

An integrated model to simulate the scattering of ultrasounds by inclusions in steels.

PubMed

Darmon, Michel; Calmon, Pierre; Bèle, Bertrand

2004-04-01

We present a study performed to model and predict the ultrasonic response of alumina inclusions in steels. The Born and the extended quasistatic approximations have been applied and modified to improve their accuracy in the framework of this application. The modified Born approximation, called "doubly distorted wave (D(2)W) Born approximation" allowing to deal with various inclusion shapes, has been selected to be implemented in the CIVA software. The model reliability has been evaluated by comparison with Ying and Truell's exact analytical solution. In parallel, measurements have been carried out upon both natural and artificial alumina inclusions.

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

Afonso, V.I.; Olmo, Gonzalo J.; Rubiera-Garcia, D., E-mail: viafonso@df.ufcg.edu.br, E-mail: gonzalo.olmo@uv.es, E-mail: drgarcia@fc.ul.pt

The existence of static, spherically symmetric, self-gravitating scalar field solutions in the context of Born-Infeld gravity is explored. Upon a combination of analytical approximations and numerical methods, the equations for a free scalar field (without a potential term) are solved, verifying that the solutions recover the predictions of General Relativity far from the center but finding important new effects in the central regions. We find two classes of objects depending on the ratio between the Schwarzschild radius and a length scale associated to the Born-Infeld theory: massive solutions have a wormhole structure, with their throat at r ≈ 2 Mmore » , while for the lighter configurations the topology is Euclidean. The total energy density of these solutions exhibits a solitonic profile with a maximum peaked away from the center, and located at the throat whenever a wormhole exists. The geodesic structure and curvature invariants are analyzed for the various configurations considered.« less

"Know More Hepatitis:" CDC's National Education Campaign to Increase Hepatitis C Testing Among People Born Between 1945 and 1965.

PubMed

Jorgensen, Cynthia; Carnes, C Amanda; Downs, Alycia

2016-01-01

In 2012, CDC issued recommendations calling for those born between 1945 and 1965, or baby boomers, to get tested for the hepatitis C virus. To help implement this recommendation, CDC developed "Know More Hepatitis," a multimedia national education campaign. Guided by behavioral science theories and formative research, the campaign used multiple strategies to reach baby boomers and health-care providers with messages encouraging baby boomers to get tested for hepatitis C. With a limited campaign budget, the "Know More Hepatitis" campaign relied mostly on donated time and space from broadcast and print outlets. Donated placements totaled approximately $14.7 million, which reflected a more than 12-to-1 return on the campaign investment. This effort was supplemented with a small, paid digital advertising campaign. Combining audience impressions from both paid and donated campaign efforts resulted in more than 1.2 billion audience impressions.

Validity of the Born approximation for beyond Gaussian weak lensing observables

DOE PAGES

Petri, Andrea; Haiman, Zoltan; May, Morgan

2017-06-06

Accurate forward modeling of weak lensing (WL) observables from cosmological parameters is necessary for upcoming galaxy surveys. Because WL probes structures in the nonlinear regime, analytical forward modeling is very challenging, if not impossible. Numerical simulations of WL features rely on ray tracing through the outputs of N-body simulations, which requires knowledge of the gravitational potential and accurate solvers for light ray trajectories. A less accurate procedure, based on the Born approximation, only requires knowledge of the density field, and can be implemented more efficiently and at a lower computational cost. In this work, we use simulations to show thatmore » deviations of the Born-approximated convergence power spectrum, skewness and kurtosis from their fully ray-traced counterparts are consistent with the smallest nontrivial O(Φ 3) post-Born corrections (so-called geodesic and lens-lens terms). Our results imply a cancellation among the larger O(Φ 4) (and higher order) terms, consistent with previous analytic work. We also find that cosmological parameter bias induced by the Born-approximated power spectrum is negligible even for a LSST-like survey, once galaxy shape noise is considered. When considering higher order statistics such as the κ skewness and kurtosis, however, we find significant bias of up to 2.5σ. Using the LensTools software suite, we show that the Born approximation saves a factor of 4 in computing time with respect to the full ray tracing in reconstructing the convergence.« less

Validity of the Born approximation for beyond Gaussian weak lensing observables

NASA Astrophysics Data System (ADS)

Petri, Andrea; Haiman, Zoltán; May, Morgan

2017-06-01

Accurate forward modeling of weak lensing (WL) observables from cosmological parameters is necessary for upcoming galaxy surveys. Because WL probes structures in the nonlinear regime, analytical forward modeling is very challenging, if not impossible. Numerical simulations of WL features rely on ray tracing through the outputs of N -body simulations, which requires knowledge of the gravitational potential and accurate solvers for light ray trajectories. A less accurate procedure, based on the Born approximation, only requires knowledge of the density field, and can be implemented more efficiently and at a lower computational cost. In this work, we use simulations to show that deviations of the Born-approximated convergence power spectrum, skewness and kurtosis from their fully ray-traced counterparts are consistent with the smallest nontrivial O (Φ3) post-Born corrections (so-called geodesic and lens-lens terms). Our results imply a cancellation among the larger O (Φ4) (and higher order) terms, consistent with previous analytic work. We also find that cosmological parameter bias induced by the Born-approximated power spectrum is negligible even for a LSST-like survey, once galaxy shape noise is considered. When considering higher order statistics such as the κ skewness and kurtosis, however, we find significant bias of up to 2.5 σ . Using the LensTools software suite, we show that the Born approximation saves a factor of 4 in computing time with respect to the full ray tracing in reconstructing the convergence.

Extended Lagrangian Excited State Molecular Dynamics.

PubMed

Bjorgaard, J A; Sheppard, D; Tretiak, S; Niklasson, A M N

2018-02-13

An extended Lagrangian framework for excited state molecular dynamics (XL-ESMD) using time-dependent self-consistent field theory is proposed. The formulation is a generalization of the extended Lagrangian formulations for ground state Born-Oppenheimer molecular dynamics [Phys. Rev. Lett. 2008 100, 123004]. The theory is implemented, demonstrated, and evaluated using a time-dependent semiempirical model, though it should be generally applicable to ab initio theory. The simulations show enhanced energy stability and a significantly reduced computational cost associated with the iterative solutions of both the ground state and the electronically excited states. Relaxed convergence criteria can therefore be used both for the self-consistent ground state optimization and for the iterative subspace diagonalization of the random phase approximation matrix used to calculate the excited state transitions. The XL-ESMD approach is expected to enable numerically efficient excited state molecular dynamics for such methods as time-dependent Hartree-Fock (TD-HF), Configuration Interactions Singles (CIS), and time-dependent density functional theory (TD-DFT).

Technique for evaluation of the strong potential Born approximation for electron capture

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

Sil, N.C.; McGuire, J.H.

1985-04-01

A technique is presented for evaluating differential cross sections in the strong potential Born (SPB) approximation. Our final expression is expressed as a finite sum of one-dimensional integrals, expressible as a finite sum of derivatives of hypergeometric functions.

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

PubMed

Tapavicza, Enrico; Furche, Filipp; Sundholm, Dage

2016-10-11

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

Variationally consistent approximation scheme for charge transfer

NASA Technical Reports Server (NTRS)

Halpern, A. M.

1978-01-01

The author has developed a technique for testing various charge-transfer approximation schemes for consistency with the requirements of the Kohn variational principle for the amplitude to guarantee that the amplitude is correct to second order in the scattering wave functions. Applied to Born-type approximations for charge transfer it allows the selection of particular groups of first-, second-, and higher-Born-type terms that obey the consistency requirement, and hence yield more reliable approximation to the amplitude.

Generalized Born-Oppenheimer treatment of Jahn-Teller systems in Hilbert spaces of arbitrary dimension: theory and application to a three-state model potential.

PubMed

Varandas, A J C; Sarkar, B

2011-05-14

Generalized Born-Oppenheimer equations including the geometrical phase effect are derived for three- and four-fold electronic manifolds in Jahn-Teller systems near the degeneracy seam. The method is readily extendable to N-fold systems of arbitrary dimension. An application is reported for a model threefold system, and the results are compared with Born-Oppenheimer (geometrical phase ignored), extended Born-Oppenheimer, and coupled three-state calculations. The theory shows unprecedented simplicity while depicting all features of more elaborated ones.

Electronic wave function and binding effects in M-shell ionization of gold by protons

NASA Astrophysics Data System (ADS)

Pajek, M.; Banaś, D.; Jabłoński, Ł.; Mukoyama, T.

2018-02-01

The measured M-X-ray production cross sections for protons, which are used in the particle induced X-ray emission (PIXE) technique, are systematically underestimated for low impact energies by the ECPSSR and ECUSAR theories. These theories, which are based on the plane wave Born approximation (PWBA) and use the screened hydrogenic wave functions, include corrections for the projectile Coulomb deflection and electron relativistic and binding effects. In the present paper, in order to interpret the observed disagreement at low impact energies, the systematic calculations of the M-shell ionization cross sections for gold were performed using the semiclassical (SCA) and the binary encounter (BEA) approximations in order to identify a role of the electronic wave function and electron binding effects. In these calculations the different wave functions, from nonrelativistic hydrogenic to selfconsistent Dirac-Hartree-Fock, were considered and the binding effect was treated within extreme separated- (SA) and united-atoms (UA) limits. The results are discussed in details and the observed discrepancies are attributed to inadequate description of the electron binding effect at the lowest impact energies for which the molecular approach is required.

Lovelock gravities from Born-Infeld gravity theory

NASA Astrophysics Data System (ADS)

Concha, P. K.; Merino, N.; Rodríguez, E. K.

2017-02-01

We present a Born-Infeld gravity theory based on generalizations of Maxwell symmetries denoted as Cm. We analyze different configuration limits allowing to recover diverse Lovelock gravity actions in six dimensions. Further, the generalization to higher even dimensions is also considered.

Breakup effects on alpha spectroscopic factors of 16O

NASA Astrophysics Data System (ADS)

Adhikari, S.; Basu, C.; Sugathan, P.; Jhinghan, A.; Behera, B. R.; Saneesh, N.; Kaur, G.; Thakur, M.; Mahajan, R.; Dubey, R.; Mitra, A. K.

2017-01-01

The triton angular distribution for the 12C(7Li,t)16O* reaction is measured at 20 MeV, populating discrete states of 16O. Continuum discretized coupled reaction channel calculations are used to to extract the alpha spectroscopic properties of 16O states instead of the distorted wave born approximation theory to include the effects of breakup on the transfer process. The alpha reduced width, spectroscopic factors and the asymptotic normalization constant (ANC) of 16O states are extracted. The error in the spectroscopic factor is about 35% and in that of the ANC about 27%.

Level structure of sup 52 Cr from the sup 51 V( sup 3 He, d ) reaction

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

Basher, M.A.; Siddique, H.R.; Husain, A.

1992-04-01

The {sup 51}V({sup 3}He,{ital d}){sup 52}Cr reaction has been studied at 15 MeV using the tandem Van de Graaff accelerator and the multichannel magnetic spectrograph of the Nuclear Physics Laboratory, Oxford. Angular distributions have been measured for levels up to {ital E}{sub {ital x}}=8.6 MeV over the laboratory angular range {theta}=3.75{degree}--71.25{degree}. Data are analyzed in terms of the distorted wave Born approximation theory of the direct reaction. The {ital l} transfers and the spectroscopic factors are obtained.

Calculation of Protein Heat Capacity from Replica-Exchange Molecular Dynamics Simulations with Different Implicit Solvent Models

DTIC Science & Technology

2008-10-30

rigorous Poisson-based methods generally apply a Lee-Richards mo- lecular surface.9 This surface is considered the de facto description for continuum...definition and calculation of the Born radii. To evaluate the Born radii, two approximations are invoked. The first is the Coulomb field approximation (CFA...energy term, and depending on the particular GB formulation, higher-order non- Coulomb correction terms may be added to the Born radii to account for the

Mathematical analysis of the boundary-integral based electrostatics estimation approximation for molecular solvation: exact results for spherical inclusions.

PubMed

Bardhan, Jaydeep P; Knepley, Matthew G

2011-09-28

We analyze the mathematically rigorous BIBEE (boundary-integral based electrostatics estimation) approximation of the mixed-dielectric continuum model of molecular electrostatics, using the analytically solvable case of a spherical solute containing an arbitrary charge distribution. Our analysis, which builds on Kirkwood's solution using spherical harmonics, clarifies important aspects of the approximation and its relationship to generalized Born models. First, our results suggest a new perspective for analyzing fast electrostatic models: the separation of variables between material properties (the dielectric constants) and geometry (the solute dielectric boundary and charge distribution). Second, we find that the eigenfunctions of the reaction-potential operator are exactly preserved in the BIBEE model for the sphere, which supports the use of this approximation for analyzing charge-charge interactions in molecular binding. Third, a comparison of BIBEE to the recent GBε theory suggests a modified BIBEE model capable of predicting electrostatic solvation free energies to within 4% of a full numerical Poisson calculation. This modified model leads to a projection-framework understanding of BIBEE and suggests opportunities for future improvements. © 2011 American Institute of Physics

Microwave imaging by three-dimensional Born linearization of electromagnetic scattering

NASA Astrophysics Data System (ADS)

Caorsi, S.; Gragnani, G. L.; Pastorino, M.

1990-11-01

An approach to microwave imaging is proposed that uses a three-dimensional vectorial form of the Born approximation to linearize the equation of electromagnetic scattering. The inverse scattering problem is numerically solved for three-dimensional geometries by means of the moment method. A pseudoinversion algorithm is adopted to overcome ill conditioning. Results show that the method is well suited for qualitative imaging purposes, while its capability for exactly reconstructing the complex dielectric permittivity is affected by the limitations inherent in the Born approximation and in ill conditioning.

Approximate solutions of acoustic 3D integral equation and their application to seismic modeling and full-waveform inversion

NASA Astrophysics Data System (ADS)

Malovichko, M.; Khokhlov, N.; Yavich, N.; Zhdanov, M.

2017-10-01

Over the recent decades, a number of fast approximate solutions of Lippmann-Schwinger equation, which are more accurate than classic Born and Rytov approximations, were proposed in the field of electromagnetic modeling. Those developments could be naturally extended to acoustic and elastic fields; however, until recently, they were almost unknown in seismology. This paper presents several solutions of this kind applied to acoustic modeling for both lossy and lossless media. We evaluated the numerical merits of those methods and provide an estimation of their numerical complexity. In our numerical realization we use the matrix-free implementation of the corresponding integral operator. We study the accuracy of those approximate solutions and demonstrate, that the quasi-analytical approximation is more accurate, than the Born approximation. Further, we apply the quasi-analytical approximation to the solution of the inverse problem. It is demonstrated that, this approach improves the estimation of the data gradient, comparing to the Born approximation. The developed inversion algorithm is based on the conjugate-gradient type optimization. Numerical model study demonstrates that the quasi-analytical solution significantly reduces computation time of the seismic full-waveform inversion. We also show how the quasi-analytical approximation can be extended to the case of elastic wavefield.

Matter-wave diffraction approaching limits predicted by Feynman path integrals for multipath interference

NASA Astrophysics Data System (ADS)

Barnea, A. Ronny; Cheshnovsky, Ori; Even, Uzi

2018-02-01

Interference experiments have been paramount in our understanding of quantum mechanics and are frequently the basis of testing the superposition principle in the framework of quantum theory. In recent years, several studies have challenged the nature of wave-function interference from the perspective of Born's rule—namely, the manifestation of so-called high-order interference terms in a superposition generated by diffraction of the wave functions. Here we present an experimental test of multipath interference in the diffraction of metastable helium atoms, with large-number counting statistics, comparable to photon-based experiments. We use a variation of the original triple-slit experiment and accurate single-event counting techniques to provide a new experimental bound of 2.9 ×10-5 on the statistical deviation from the commonly approximated null third-order interference term in Born's rule for matter waves. Our value is on the order of the maximal contribution predicted for multipath trajectories by Feynman path integrals.

Low-energy Scattering of Positronium by Atoms

NASA Technical Reports Server (NTRS)

Ray, Hasi

2007-01-01

The survey reports theoretical studies involving positronium (Ps) - atom scattering. Investigations carried out in last few decades have been briefly reviewed in this article. A brief description of close-coupling approximation (CCA), the first-Born approximation (FBA) and the Born-Oppenheimer approximation (BOA) for Ps-Atom systems are made. The CCA codes of Ray et a1 [1-6] are reinvestigated using very fine mesh-points to search for resonances. The article advocates the need for an extended basis set & a systematic study using CCAs.

First Generation U.S.-Born Africans and the Expanded Nigrescence Theory: The Stretching of a Theory for a "Different" African American Experience at a Predominantly White Institution of Higher Education

ERIC Educational Resources Information Center

De Walt, Patrick S.

2009-01-01

This dissertation explores the applicability of a "stretched" Expanded Nigrescence theory (Cross and Vandiver 2001; NT-E) to the racial identities/attitudes of six First Generation U.S.-Born Africans (FGAs) at a predominantly White institution (PWI). This instrumental case study blended ethnographic techniques and surveys to tell the stories of…

bb̅ud̅ four-quark systems in the Born-Oppenheimer approximation: prospects and challenges

NASA Astrophysics Data System (ADS)

Peters, Antje; Bicudo, Pedro; Wagner, Marc

2018-03-01

We summarize previous work on b̅b̅ud four-quark systems in the Born-Oppenheimer approximation and discuss first steps towards an extension to the theoretically more challenging bb̅ud̅ system. Strategies to identify a possibly existing bb̅ud̅ bound state are discussed and first numerical results are presented.

Ab Initio Prediction of the Structural, Electronic, Elastic, and Thermoelectric Properties of Half-Heusler Ternary Compounds TiIrX (X = As and Sb)

NASA Astrophysics Data System (ADS)

Chibani, S.; Arbouche, O.; Zemouli, M.; Amara, K.; Benallou, Y.; Azzaz, Y.; Belgoumène, B.; Bentayeb, A.; Ameri, M.

2018-01-01

The structural, electronic, elastic, and thermoelectric properties of TiIrX (X = As and Sb) half-Heusler compounds with 18 valence electrons were studied using density functional theory. The generalized gradient approximation of Perdew-Burke and Ernzerhof used for calculation of the structural parameters and elastic properties of TiIrAs and TiIrSb denotes that the computed lattice constants were in excellent agreement with the available experimental data and previous theoretical works. Furthermore, the calculated elastic constants for both compounds satisfy the Born criteria indicating their mechanical stabilities. The modified Becke-Johnson potential (TB-mBJ) was used to provide a better description of the electronic structures, which indicate that both compounds are narrow-gap semiconductors. Additionally, the investigations of thermoelectric performance were carried out using the results of ab initio band-structure calculations and the semi-classical Boltzmann theory within the constant relaxation time approximations. The predicted values of the figure of merit ZT e are close to unity at room temperature. This reveals that TiIrAs and TiIrSb compounds are excellent candidates for practical applications in the thermoelectric devices.

Polarized light scattering as a probe for changes in chromosome structure

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

Shapiro, Daniel Benjamin

1993-10-01

Measurements and calculations of polarized light scattering are applied to chromosomes. Calculations of the Mueller matrix, which completely describes how the polarization state of light is altered upon scattering, are developed for helical structures related to that of chromosomes. Measurements of the Mueller matrix are presented for octopus sperm heads, and dinoflagellates. Comparisons of theory and experiment are made. A working theory of polarized light scattering from helices is developed. The use of the first Born approximation vs the coupled dipole approximation are investigated. A comparison of continuous, calculated in this work, and discrete models is also discussed. By comparingmore » light scattering measurements with theoretical predictions the average orientation of DNA in an octopus sperm head is determined. Calculations are made for the Mueller matrix of DNA plectonemic helices at UV, visible and X-ray wavelengths. Finally evidence is presented that the chromosomes of dinoflagellates are responsible for observed differential scattering of circularly-polarized light. This differential scattering is found to vary in a manner that is possibly correlated to the cell cycle of the dinoflagellates. It is concluded that by properly choosing the wavelength probe polarized light scattering can provide a useful tool to study chromosome structure.« less

Theory of electron capture from a hydrogen-like ion by a bare ion with extensions to inner-shell capture

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

Alston, S.G.

1982-01-01

A complete systematic derivation is given of a new approximation for the calculation of the cross section for electron capture from a hydrogen-like ion of large nuclear charge Z/sub T/e by a bare ion of charge Z/sub p/e moving with speed v. The amplitude in the wave treatment is obtained through consistent expansion in the small parameters Z/sub p//Z/sub T/ and Z/sub p/e/sup 2//hv; however, the ratio Z/sub T/e/sup 2//hv is not assumed small. Electron-target nucleus interactions are included to all orders and electron-projectile interactions were included consistently to first order so that the theory is called the strong potentialmore » Born (SPB). Following a careful analysis of the approach to the energy shell, an off-shell factor is seen to arise which does not appear in the impulse approximation (IA). The effects of this factor on the capture amplitude are explored. It is shown that, in comparison with the IA, the correct weighting of the target spectrum of intermediate states in the SPB significantly alters the 1s ..-->.. ns cross section and at the same time makes peaking approximations to the amplitude more realistic, even for intermediate velocity Z/sub p/e/sup 2//h<« less

Postural complexity influences development in infants born preterm with brain injury: relating perception-action theory to 3 cases.

PubMed

Dusing, Stacey C; Izzo, Theresa; Thacker, Leroy R; Galloway, James Cole

2014-10-01

Perception-action theory suggests a cyclical relationship between movement and perceptual information. In this case series, changes in postural complexity were used to quantify an infant's action and perception during the development of early motor behaviors. Three infants born preterm with periventricular white matter injury were included. Longitudinal changes in postural complexity (approximate entropy of the center of pressure), head control, reaching, and global development, measured with the Test of Infant Motor Performance and the Bayley Scales of Infant and Toddler Development, were assessed every 0.5 to 3 months during the first year of life. All 3 infants demonstrated altered postural complexity and developmental delays. However, the timing of the altered postural complexity and the type of delays varied among the infants. For infant 1, reduced postural complexity or limited action while learning to control her head in the midline position may have contributed to her motor delay. However, her ability to adapt her postural complexity eventually may have supported her ability to learn from her environment, as reflected in her relative cognitive strength. For infant 2, limited early postural complexity may have negatively affected his learning through action, resulting in cognitive delay. For infant 3, an increase in postural complexity above typical levels was associated with declining neurological status. Postural complexity is proposed as a measure of perception and action in the postural control system during the development of early behaviors. An optimal, intermediate level of postural complexity supports the use of a variety of postural control strategies and enhances the perception-action cycle. Either excessive or reduced postural complexity may contribute to developmental delays in infants born preterm with white matter injury. © 2014 American Physical Therapy Association.

Understanding periviable birth: A microeconomic alternative to the dysregulation narrative.

PubMed

Catalano, Ralph; Bruckner, Tim; Avalos, Lyndsay A; Stewart, Holly; Karasek, Deborah; Kariv, Shachar; Gemmill, Alison; Saxton, Katherine; Casey, Joan

2017-12-12

Periviable infants (i.e., those born in the 20th through 26th weeks of gestation) suffer much morbidity and approximately half die in the first year of life. Attempts to explain and predict these births disproportionately invoke a "dysregulation" narrative. Research inspired by this narrative has not led to efficacious interventions. The clinical community has, therefore, urged novel approaches to the problem. We aim to provoke debate by offering the theory, inferred from microeconomics, that risk tolerant women carry, without cognitive involvement, high risk fetuses farther into pregnancy than do other women. These extended high-risk pregnancies historically ended in stillbirth but modern obstetric practices now convert a fraction to periviable births. We argue that this theory deserves testing because it suggests inexpensive and noninvasive screening for pregnancies that might benefit from the costly and invasive interventions clinical research will likely devise. Copyright © 2017. Published by Elsevier Ltd.

Spin-Flavor van der Waals Forces and NN interaction

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

Alvaro Calle Cordon, Enrique Ruiz Arriola

A major goal in Nuclear Physics is the derivation of the Nucleon-Nucleon (NN) interaction from Quantum Chromodynamics (QCD). In QCD the fundamental degrees of freedom are colored quarks and gluons which are confined to form colorless strongly interacting hadrons. Because of this the resulting nuclear forces at sufficiently large distances correspond to spin-flavor excitations, very much like the dipole excitations generating the van der Waals (vdW) forces acting between atoms. We study the Nucleon-Nucleon interaction in the Born-Oppenheimer approximation at second order in perturbation theory including the Delta resonance as an intermediate state. The potential resembles strongly chiral potentials computedmore » either via soliton models or chiral perturbation theory and has a van der Waals like singularity at short distances which is handled by means of renormalization techniques. Results for the deuteron are discussed.« less

Calculation and analysis of cross-sections for p+184W reactions up to 200 MeV

NASA Astrophysics Data System (ADS)

Sun, Jian-Ping; Zhang, Zheng-Jun; Han, Yin-Lu

2015-08-01

A set of optimal proton optical potential parameters for p+ 184W reactions are obtained at incident proton energy up to 250 MeV. Based on these parameters, the reaction cross-sections, elastic scattering angular distributions, energy spectra and double differential cross sections of proton-induced reactions on 184W are calculated and analyzed by using theoretical models which integrate the optical model, distorted Born wave approximation theory, intra-nuclear cascade model, exciton model, Hauser-Feshbach theory and evaporation model. The calculated results are compared with existing experimental data and good agreement is achieved. Supported by National Basic Research Program of China, Technology Research of Accelerator Driven Sub-critical System for Nuclear Waste Transmutation (2007CB209903) and Strategic Priority Research Program of Chinese Academy of Sciences, Thorium Molten Salt Reactor Nuclear Energy System (XDA02010100)

Convergence of the strong-potential-Born approximation in Z/sub less-than//Z/sub greater-than/

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

McGuire, J.H.; Sil, N.C.

1986-01-01

Convergence of the strong-potential Born (SPB) approximation as a function of the charges of the projectile and target is studied numerically. Time-reversal invariance (or detailed balance) is satisfied at sufficiently high velocities even when the charges are asymmetric. This demonstarates that the SPB approximation converges to the correct result even when the charge of the ''weak'' potential, which is kept to first order, is larger than the charge of the ''strong'' potential, which is retained to all orders. Consequently, the SPB approximation is valid for systems of arbitrary charge symmetry (including symmetric systems) at sufficiently high velocities.

πN scattering and γN → Nπ photoproduction within the unitary improved Born approximation

NASA Astrophysics Data System (ADS)

Mariano, A.

2007-07-01

Following the programme of describing consistently several processes where the isobar Δ(1232 MeV) nucleon resonance appears as an intermediate state, in this work we propose to unitarize our old improved Born approximation already used to describe successfully π+p elastic and radiative scattering, to treat pion photoproduction. First we add the effect of final state interactions and make a new determination of the mass, width and the coupling constant to the pion-nucleon state of the Δ resonance. Then extending the model for pion photoproduction and using the resonance parameters determined previously, we are able to define effective form factors (at k2γ = 0) for the γN → Δ vertex with values GM = 2.97 ± 0.08 and GE = 0.055 ± 0.010, by fitting the data for the M3/21+ and E3/21+ multipoles. These values are fully consistent with recent chiral effective field theory calculations, and using them we can predict satisfactorily the data for other multipoles and the photoproduction cross section. Finally, we intend a model-independent determination of the bare form factors making a dynamical dressing of the vertex, getting G0M = 1.69 ± 0.02, G0E = 0.028 ± 0.008 and R0EM = -1.67 ± 0.45%, which are compared with different quark models.

Microwave beam broadening due to turbulent plasma density fluctuations within the limit of the Born approximation and beyond

NASA Astrophysics Data System (ADS)

Köhn, A.; Guidi, L.; Holzhauer, E.; Maj, O.; Poli, E.; Snicker, A.; Weber, H.

2018-07-01

Plasma turbulence, and edge density fluctuations in particular, can under certain conditions broaden the cross-section of injected microwave beams significantly. This can be a severe problem for applications relying on well-localized deposition of the microwave power, like the control of MHD instabilities. Here we investigate this broadening mechanism as a function of fluctuation level, background density and propagation length in a fusion-relevant scenario using two numerical codes, the full-wave code IPF-FDMC and the novel wave kinetic equation solver WKBeam. The latter treats the effects of fluctuations using a statistical approach, based on an iterative solution of the scattering problem (Born approximation). The full-wave simulations are used to benchmark this approach. The Born approximation is shown to be valid over a large parameter range, including ITER-relevant scenarios.

Light-by-Light Scattering Constraint on Born-Infeld Theory

NASA Astrophysics Data System (ADS)

Ellis, John; Mavromatos, Nick E.; You, Tevong

2017-06-01

The recent measurement by ATLAS of light-by-light scattering in LHC Pb-Pb collisions is the first direct evidence for this basic process. We find that it excludes a range of the mass scale of a nonlinear Born-Infeld extension of QED that is ≲100 GeV , a much stronger constraint than those derived previously. In the case of a Born-Infeld extension of the standard model in which the U(1 ) Y hypercharge gauge symmetry is realized nonlinearly, the limit on the corresponding mass reach is ˜90 GeV , which, in turn, imposes a lower limit of ≳11 TeV on the magnetic monopole mass in such a U(1 ) Y Born-Infeld theory.

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

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

Xiao, Tiejun; Song, Xueyu

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

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

DOE PAGES

Xiao, Tiejun; Song, Xueyu

2017-12-06

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

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

NASA Astrophysics Data System (ADS)

Xiao, Tiejun; Song, Xueyu

2017-12-01

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

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

PubMed

Xiao, Tiejun; Song, Xueyu

2017-12-07

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

On gravitational waves in Born-Infeld inspired non-singular cosmologies

NASA Astrophysics Data System (ADS)

Beltrán Jiménez, Jose; Heisenberg, Lavinia; Olmo, Gonzalo J.; Rubiera-Garcia, Diego

2017-10-01

We study the evolution of gravitational waves for non-singular cosmological solutions within the framework of Born-Infeld inspired gravity theories, with special emphasis on the Eddington-inspired Born-Infeld theory. We review the existence of two types of non-singular cosmologies, namely bouncing and asymptotically Minkowski solutions, from a perspective that makes their features more apparent. We study in detail the propagation of gravitational waves near these non-singular solutions and carefully discuss the origin and severity of the instabilities and strong coupling problems that appear. We also investigate the role of the adiabatic sound speed of the matter sector in the regularisation of the gravitational waves evolution. We extend our analysis to more general Born-Infeld inspired theories where analogous solutions are found. As a general conclusion, we obtain that the bouncing solutions are generally more prone to instabilities, while the asymptotically Minkowski solutions can be rendered stable, making them appealing models for the early universe.

On gravitational waves in Born-Infeld inspired non-singular cosmologies

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

Jiménez, Jose Beltrán; Heisenberg, Lavinia; Olmo, Gonzalo J.

We study the evolution of gravitational waves for non-singular cosmological solutions within the framework of Born-Infeld inspired gravity theories, with special emphasis on the Eddington-inspired Born-Infeld theory. We review the existence of two types of non-singular cosmologies, namely bouncing and asymptotically Minkowski solutions, from a perspective that makes their features more apparent. We study in detail the propagation of gravitational waves near these non-singular solutions and carefully discuss the origin and severity of the instabilities and strong coupling problems that appear. We also investigate the role of the adiabatic sound speed of the matter sector in the regularisation of themore » gravitational waves evolution. We extend our analysis to more general Born-Infeld inspired theories where analogous solutions are found. As a general conclusion, we obtain that the bouncing solutions are generally more prone to instabilities, while the asymptotically Minkowski solutions can be rendered stable, making them appealing models for the early universe.« less

Non-Born-Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) + CO(X 1Σ+) → CO2(tilde X{}^1Σ _g^ +)

NASA Astrophysics Data System (ADS)

Jasper, Ahren W.; Dawes, Richard

2013-10-01

The lowest-energy singlet (1 1A') and two lowest-energy triplet (1 3A' and 1 3A″) electronic states of CO2 are characterized using dynamically weighted multireference configuration interaction (dw-MRCI+Q) electronic structure theory calculations extrapolated to the complete basis set (CBS) limit. Global analytic representations of the dw-MRCI+Q/CBS singlet and triplet surfaces and of their CASSCF/aug-cc-pVQZ spin-orbit coupling surfaces are obtained via the interpolated moving least squares (IMLS) semiautomated surface fitting method. The spin-forbidden kinetics of the title reaction is calculated using the coupled IMLS surfaces and coherent switches with decay of mixing non-Born-Oppenheimer molecular dynamics. The calculated spin-forbidden association rate coefficient (corresponding to the high pressure limit of the rate coefficient) is 7-35 times larger at 1000-5000 K than the rate coefficient used in many detailed chemical models of combustion. A dynamical analysis of the multistate trajectories is presented. The trajectory calculations reveal direct (nonstatistical) and indirect (statistical) spin-forbidden reaction mechanisms and may be used to test the suitability of transition-state-theory-like statistical methods for spin-forbidden kinetics. Specifically, we consider the appropriateness of the "double passage" approximation, of assuming statistical distributions of seam crossings, and of applications of the unified statistical model for spin-forbidden reactions.

Variational treatment of electron-polyatomic-molecule scattering calculations using adaptive overset grids

NASA Astrophysics Data System (ADS)

Greenman, Loren; Lucchese, Robert R.; McCurdy, C. William

2017-11-01

The complex Kohn variational method for electron-polyatomic-molecule scattering is formulated using an overset-grid representation of the scattering wave function. The overset grid consists of a central grid and multiple dense atom-centered subgrids that allow the simultaneous spherical expansions of the wave function about multiple centers. Scattering boundary conditions are enforced by using a basis formed by the repeated application of the free-particle Green's function and potential Ĝ0+V ̂ on the overset grid in a Born-Arnoldi solution of the working equations. The theory is shown to be equivalent to a specific Padé approximant to the T matrix and has rapid convergence properties, in both the number of numerical basis functions employed and the number of partial waves employed in the spherical expansions. The method is demonstrated in calculations on methane and CF4 in the static-exchange approximation and compared in detail with calculations performed with the numerical Schwinger variational approach based on single-center expansions. An efficient procedure for operating with the free-particle Green's function and exchange operators (to which no approximation is made) is also described.

Heavy enzymes--experimental and computational insights in enzyme dynamics.

PubMed

Swiderek, Katarzyna; Ruiz-Pernía, J Javier; Moliner, Vicent; Tuñón, Iñaki

2014-08-01

The role of protein motions in the chemical step of enzyme-catalyzed reactions is the subject of an open debate in the scientific literature. The systematic use of isotopically substituted enzymes has been revealed as a useful tool to quantify the role of these motions. According to the Born-Oppenheimer approximation, changing the mass of the protein does not change the forces acting on the system but alters the frequencies of the protein motions, which in turn can affect the rate constant. Experimental and theoretical studies carried out in this field are presented in this article and discussed in the framework of Transition State Theory. Copyright © 2014 Elsevier Ltd. All rights reserved.

A numerical analysis of the Born approximation for image formation modeling of differential interference contrast microscopy for human embryos

NASA Astrophysics Data System (ADS)

Trattner, Sigal; Feigin, Micha; Greenspan, Hayit; Sochen, Nir

2008-03-01

The differential interference contrast (DIC) microscope is commonly used for the visualization of live biological specimens. It enables the view of the transparent specimens while preserving their viability, being a non-invasive modality. Fertility clinics often use the DIC microscope for evaluation of human embryos quality. Towards quantification and reconstruction of the visualized specimens, an image formation model for DIC imaging is sought and the interaction of light waves with biological matter is examined. In many image formation models the light-matter interaction is expressed via the first Born approximation. The validity region of this approximation is defined in a theoretical bound which limits its use to very small specimens with low dielectric contrast. In this work the Born approximation is investigated via the Helmholtz equation, which describes the interaction between the specimen and light. A solution on the lens field is derived using the Gaussian Legendre quadrature formulation. This numerical scheme is considered both accurate and efficient and has shortened significantly the computation time as compared to integration methods that required a great amount of sampling for satisfying the Whittaker - Shannon sampling theorem. By comparing the numerical results with the theoretical values it is shown that the theoretical bound is not directly relevant to microscopic imaging and is far too limiting. The numerical exhaustive experiments show that the Born approximation is inappropriate for modeling the visualization of thick human embryos.

School-Aged Children Born Preterm: Review of Functioning across Multiple Domains and Guidelines for Assessment

ERIC Educational Resources Information Center

Dempsey, Allison G.; Keller-Margulis, Milena; Mire, Sarah; Abrahamson, Catherine; Dutt, Sonia; Llorens, Ashlie; Payan, Anita

2015-01-01

Children born preterm are at risk for developmental deficits across multiple functional domains. As the rate of survival for preterm infants increases due to medical advancements, a greater understanding is needed for how to meet the needs of this growing population in schools. Because approximately 50-70% of children born preterm require…

Ross, macdonald, and a theory for the dynamics and control of mosquito-transmitted pathogens.

PubMed

Smith, David L; Battle, Katherine E; Hay, Simon I; Barker, Christopher M; Scott, Thomas W; McKenzie, F Ellis

2012-01-01

Ronald Ross and George Macdonald are credited with developing a mathematical model of mosquito-borne pathogen transmission. A systematic historical review suggests that several mathematicians and scientists contributed to development of the Ross-Macdonald model over a period of 70 years. Ross developed two different mathematical models, Macdonald a third, and various "Ross-Macdonald" mathematical models exist. Ross-Macdonald models are best defined by a consensus set of assumptions. The mathematical model is just one part of a theory for the dynamics and control of mosquito-transmitted pathogens that also includes epidemiological and entomological concepts and metrics for measuring transmission. All the basic elements of the theory had fallen into place by the end of the Global Malaria Eradication Programme (GMEP, 1955-1969) with the concept of vectorial capacity, methods for measuring key components of transmission by mosquitoes, and a quantitative theory of vector control. The Ross-Macdonald theory has since played a central role in development of research on mosquito-borne pathogen transmission and the development of strategies for mosquito-borne disease prevention.

Ross, Macdonald, and a Theory for the Dynamics and Control of Mosquito-Transmitted Pathogens

PubMed Central

Smith, David L.; Battle, Katherine E.; Hay, Simon I.; Barker, Christopher M.; Scott, Thomas W.; McKenzie, F. Ellis

2012-01-01

Ronald Ross and George Macdonald are credited with developing a mathematical model of mosquito-borne pathogen transmission. A systematic historical review suggests that several mathematicians and scientists contributed to development of the Ross-Macdonald model over a period of 70 years. Ross developed two different mathematical models, Macdonald a third, and various “Ross-Macdonald” mathematical models exist. Ross-Macdonald models are best defined by a consensus set of assumptions. The mathematical model is just one part of a theory for the dynamics and control of mosquito-transmitted pathogens that also includes epidemiological and entomological concepts and metrics for measuring transmission. All the basic elements of the theory had fallen into place by the end of the Global Malaria Eradication Programme (GMEP, 1955–1969) with the concept of vectorial capacity, methods for measuring key components of transmission by mosquitoes, and a quantitative theory of vector control. The Ross-Macdonald theory has since played a central role in development of research on mosquito-borne pathogen transmission and the development of strategies for mosquito-borne disease prevention. PMID:22496640

Power centroid radar and its rise from the universal cybernetics duality

NASA Astrophysics Data System (ADS)

Feria, Erlan H.

2014-05-01

Power centroid radar (PC-Radar) is a fast and powerful adaptive radar scheme that naturally surfaced from the recent discovery of the time-dual for information theory which has been named "latency theory." Latency theory itself was born from the universal cybernetics duality (UC-Duality), first identified in the late 1970s, that has also delivered a time dual for thermodynamics that has been named "lingerdynamics" and anchors an emerging lifespan theory for biological systems. In this paper the rise of PC-Radar from the UC-Duality is described. The development of PC-Radar, US patented, started with Defense Advanced Research Projects Agency (DARPA) funded research on knowledge-aided (KA) adaptive radar of the last decade. The outstanding signal to interference plus noise ratio (SINR) performance of PC-Radar under severely taxing environmental disturbances will be established. More specifically, it will be seen that the SINR performance of PC-Radar, either KA or knowledgeunaided (KU), approximates that of an optimum KA radar scheme. The explanation for this remarkable result is that PC-Radar inherently arises from the UC-Duality, which advances a "first principles" duality guidance theory for the derivation of synergistic storage-space/computational-time compression solutions. Real-world synthetic aperture radar (SAR) images will be used as prior-knowledge to illustrate these results.

Progress on ultrasonic flaw sizing in turbine-engine rotor components: bore and web geometries

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

Rose, J.H.; Gray, T.A.; Thompson, R.B.

1983-01-01

The application of generic flaw-sizing techniques to specific components generally involves difficulties associated with geometrical complexity and simplifications arising from a knowledge of the expected flaw distribution. This paper is concerned with the case of ultrasonic flaw sizing in turbine-engine rotor components. The sizing of flat penny-shaped cracks in the web geometry discussed and new crack-sizing algorithms based on the Born and Kirchhoff approximations are introduced. Additionally, we propose a simple method for finding the size of a flat, penny-shaped crack given only the magnitude of the scattering amplitude. The bore geometry is discussed with primary emphasis on the cylindricalmore » focusing of the incident beam. Important questions which are addressed include the effects of diffraction and the position of the flaw with respect to the focal line. The appropriate deconvolution procedures to account for these effects are introduced. Generic features of the theory are compared with experiment. Finally, the effects of focused transducers on the Born inversion algorithm are discussed.« less

Geonic black holes and remnants in Eddington-inspired Born-Infeld gravity.

PubMed

Olmo, Gonzalo J; Rubiera-Garcia, D; Sanchis-Alepuz, Helios

We show that electrically charged solutions within the Eddington-inspired Born-Infeld theory of gravity replace the central singularity by a wormhole supported by the electric field. As a result, the total energy associated with the electric field is finite and similar to that found in the Born-Infeld electromagnetic theory. When a certain charge-to-mass ratio is satisfied, in the lowest part of the mass and charge spectrum the event horizon disappears, yielding stable remnants. We argue that quantum effects in the matter sector can lower the mass of these remnants from the Planck scale down to the TeV scale.

Recovery of singularities from a backscattering Born approximation for a biharmonic operator in 3D

NASA Astrophysics Data System (ADS)

Tyni, Teemu

2018-04-01

We consider a backscattering Born approximation for a perturbed biharmonic operator in three space dimensions. Previous results on this approach for biharmonic operator use the fact that the coefficients are real-valued to obtain the reconstruction of singularities in the coefficients. In this text we drop the assumption about real-valued coefficients and also establish the recovery of singularities for complex coefficients. The proof uses mapping properties of the Radon transform.

Quantum theory of electromagnetic fields in a cosmological quantum spacetime

NASA Astrophysics Data System (ADS)

Lewandowski, Jerzy; Nouri-Zonoz, Mohammad; Parvizi, Ali; Tavakoli, Yaser

2017-11-01

The theory of quantum fields propagating on an isotropic cosmological quantum spacetime is reexamined by generalizing the scalar test field to an electromagnetic (EM) vector field. For any given polarization of the EM field on the classical background, the Hamiltonian can be written in the form of the Hamiltonian of a set of decoupled harmonic oscillators, each corresponding to a single mode of the field. In transition from the classical to quantum spacetime background, following the technical procedure given by Ashtekar et al. [Phys. Rev. D 79, 064030 (2009), 10.1103/PhysRevD.79.064030], a quantum theory of the test EM field on an effective (dressed) spacetime emerges. The nature of this emerging dressed geometry is independent of the chosen polarization, but it may depend on the energy of the corresponding field mode. Specifically, when the backreaction of the field on the quantum geometry is negligible (i.e., a test field approximation is assumed), all field modes probe the same effective background independent of the mode's energy. However, when the backreaction of the field modes on the quantum geometry is significant, by employing a Born-Oppenheimer approximation, it is shown that a rainbow (i.e., a mode-dependent) metric emerges. The emergence of this mode-dependent background in the Planck regime may have a significant effect on the creation of quantum particles. The production amount on the dressed background is computed and is compared with the familiar results on the classical geometry.

Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory.

PubMed

Bardhan, Jaydeep P

2008-10-14

The importance of molecular electrostatic interactions in aqueous solution has motivated extensive research into physical models and numerical methods for their estimation. The computational costs associated with simulations that include many explicit water molecules have driven the development of implicit-solvent models, with generalized-Born (GB) models among the most popular of these. In this paper, we analyze a boundary-integral equation interpretation for the Coulomb-field approximation (CFA), which plays a central role in most GB models. This interpretation offers new insights into the nature of the CFA, which traditionally has been assessed using only a single point charge in the solute. The boundary-integral interpretation of the CFA allows the use of multiple point charges, or even continuous charge distributions, leading naturally to methods that eliminate the interpolation inaccuracies associated with the Still equation. This approach, which we call boundary-integral-based electrostatic estimation by the CFA (BIBEE/CFA), is most accurate when the molecular charge distribution generates a smooth normal displacement field at the solute-solvent boundary, and CFA-based GB methods perform similarly. Conversely, both methods are least accurate for charge distributions that give rise to rapidly varying or highly localized normal displacement fields. Supporting this analysis are comparisons of the reaction-potential matrices calculated using GB methods and boundary-element-method (BEM) simulations. An approximation similar to BIBEE/CFA exhibits complementary behavior, with superior accuracy for charge distributions that generate rapidly varying normal fields and poorer accuracy for distributions that produce smooth fields. This approximation, BIBEE by preconditioning (BIBEE/P), essentially generates initial guesses for preconditioned Krylov-subspace iterative BEMs. Thus, iterative refinement of the BIBEE/P results recovers the BEM solution; excellent agreement is obtained in only a few iterations. The boundary-integral-equation framework may also provide a means to derive rigorous results explaining how the empirical correction terms in many modern GB models significantly improve accuracy despite their simple analytical forms.

A survey of solutions in a gravitational Born-Infeld theory

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

Chern, Jann-Long, E-mail: chern@math.ncu.edu.tw; Yang, Sze-Guang, E-mail: sgyang@math.ncu.edu.tw

2014-03-15

An elliptic equation that arises from a cosmic string model with the action of the Born-Infeld nonlinear electromagnetism, is considered. We classify and establish the uniqueness of radially symmetric solutions.

Born-Infeld corrections to Coulombian interactions.

PubMed

Ferraro, Rafael; Lipchak, María Evangelina

2008-04-01

Two-dimensional Born-Infeld electrostatic fields behaving as the superposition of two pointlike charges in the linearized (Maxwellian) limit are investigated by means of a nonholomorphic mapping of the complex plane. The changes in the Coulombian interaction between two charges in Born-Infeld theory are computed. Remarkably, the force between equal charges goes to zero as they approach each other.

Exploring the limits of the self-consistent Born approximation for inelastic electronic transport

NASA Astrophysics Data System (ADS)

Lee, William; Jean, Nicola; Sanvito, Stefano

2009-02-01

The nonequilibrium Green’s function formalism is today the standard computational method for describing elastic transport in molecular devices. This can be extended to include inelastic scattering by the so-called self-consistent Born approximation (SCBA), where the interaction of the electrons with the vibrations of the molecule is assumed to be weak and it is treated perturbatively. The validity of such assumption and therefore of the SCBA is difficult to establish with certainty. In this work we explore the limitations of the SCBA by using a simple tight-binding model with the electron-phonon coupling strength α chosen as a free parameter. As model devices we consider Au monatomic chains and a H2 molecule sandwiched between Pt electrodes. In both cases, our self-consistent calculations demonstrate a breakdown of the SCBA for large α and we identify a weak and a strong-coupling regime. For weak coupling our SCBA results compare closely with those obtained with exact scattering theory. However in the strong-coupling regime large deviations are found. In particular we demonstrate that there is a critical coupling strength, characteristic of the materials system, beyond which multiple self-consistent solutions can be found depending on the initial conditions in the simulation. These are entirely due to the large contribution of the Hartree self-energy and completely disappear when this is neglected. We attribute this feature to the breakdown of the perturbative expansion leading to the SCBA.

Vibrationally resolved photoelectron spectra of lower diamondoids: A time-dependent approach

NASA Astrophysics Data System (ADS)

Xiong, Tao; Włodarczyk, Radosław; Gallandi, Lukas; Körzdörfer, Thomas; Saalfrank, Peter

2018-01-01

Vibrationally resolved lowest-energy bands of the photoelectron spectra (PES) of adamantane, diamantane, and urotropine were simulated by a time-dependent correlation function approach within the harmonic approximation. Geometries and normal modes for neutral and cationic molecules were obtained from B3LYP hybrid density functional theory (DFT). It is shown that the simulated spectra reproduce the experimentally observed vibrational finestructure (or its absence) quite well. Origins of the finestructure are discussed and related to recurrences of autocorrelation functions and dominant vibrations. Remaining quantitative and qualitative errors of the DFT-derived PES spectra refer to (i) an overall redshift by ˜0.5 eV and (ii) the absence of satellites in the high-energy region of the spectra. The former error is shown to be due to the neglect of many-body corrections to ordinary Kohn-Sham methods, while the latter has been argued to be due to electron-nuclear couplings beyond the Born-Oppenheimer approximation [Gali et al., Nat. Commun. 7, 11327 (2016)].

Semiclassical approximation of the Wheeler-DeWitt equation: arbitrary orders and the question of unitarity

NASA Astrophysics Data System (ADS)

Kiefer, Claus; Wichmann, David

2018-06-01

We extend the Born-Oppenheimer type of approximation scheme for the Wheeler-DeWitt equation of canonical quantum gravity to arbitrary orders in the inverse Planck mass squared. We discuss in detail the origin of unitarity violation in this scheme and show that unitarity can be restored by an appropriate modification which requires back reaction from matter onto the gravitational sector. In our analysis, we heavily rely on the gauge aspects of the standard Born-Oppenheimer scheme in molecular physics.

Perspectives on the dental school learning environment: putting theory X and theory Y into action in dental education.

PubMed

Connor, Joseph P; Troendle, Karen

2008-12-01

Theory X and Theory Y are terms coined by Douglas McGregor to express the belief that managers' behaviors are shaped by their assumptions about the motivation of their subordinates. The theories were applied to dental education in a Perspectives article published in the August 2007 issue of the Journal of Dental Education. This article explains how those seemingly contradictory theories can be reconciled using the concept of the "emotional bank account" introduced by Stephen Covey in The 7 Habits of Highly Effective People. Understanding the underlying concept of an emotional bank account helps dental educators to bridge the generation gap between instructors, born during the baby boom period of 1946-63, and dental students, born after 1980, who are referred to as "Generation Y" or "millennials."

A Hydrodynamic Theory for Spatially Inhomogeneous Semiconductor Lasers: Microscopic Approach

NASA Technical Reports Server (NTRS)

Li, Jianzhong; Ning, C. Z.; Biegel, Bryan A. (Technical Monitor)

2001-01-01

Starting from the microscopic semiconductor Bloch equations (SBEs) including the Boltzmann transport terms in the distribution function equations for electrons and holes, we derived a closed set of diffusion equations for carrier densities and temperatures with self-consistent coupling to Maxwell's equation and to an effective optical polarization equation. The coherent many-body effects are included within the screened Hartree-Fock approximation, while scatterings are treated within the second Born approximation including both the in- and out-scatterings. Microscopic expressions for electron-hole (e-h) and carrier-LO (c-LO) phonon scatterings are directly used to derive the momentum and energy relaxation rates. These rates expressed as functions of temperatures and densities lead to microscopic expressions for self- and mutual-diffusion coefficients in the coupled density-temperature diffusion equations. Approximations for reducing the general two-component description of the electron-hole plasma (EHP) to a single-component one are discussed. In particular, we show that a special single-component reduction is possible when e-h scattering dominates over c-LO phonon scattering. The ambipolar diffusion approximation is also discussed and we show that the ambipolar diffusion coefficients are independent of e-h scattering, even though the diffusion coefficients of individual components depend sensitively on the e-h scattering rates. Our discussions lead to new perspectives into the roles played in the single-component reduction by the electron-hole correlation in momentum space induced by scatterings and the electron-hole correlation in real space via internal static electrical field. Finally, the theory is completed by coupling the diffusion equations to the lattice temperature equation and to the effective optical polarization which in turn couples to the laser field.

How will millennials impact freight flows in Texas? Final report.

DOT National Transportation Integrated Search

2017-01-01

Millennials (born between 1983 and 2000) represent approximately 25 percent of the population in the United States and already outnumber baby boomers (born between 1946 and 1964) in the current population (15,16,17). As young adults, millennials are ...

Global multiresolution models of surface wave propagation: comparing equivalently regularized Born and ray theoretical solutions

NASA Astrophysics Data System (ADS)

Boschi, Lapo

2006-10-01

I invert a large set of teleseismic phase-anomaly observations, to derive tomographic maps of fundamental-mode surface wave phase velocity, first via ray theory, then accounting for finite-frequency effects through scattering theory, in the far-field approximation and neglecting mode coupling. I make use of a multiple-resolution pixel parametrization which, in the assumption of sufficient data coverage, should be adequate to represent strongly oscillatory Fréchet kernels. The parametrization is finer over North America, a region particularly well covered by the data. For each surface-wave mode where phase-anomaly observations are available, I derive a wide spectrum of plausible, differently damped solutions; I then conduct a trade-off analysis, and select as optimal solution model the one associated with the point of maximum curvature on the trade-off curve. I repeat this exercise in both theoretical frameworks, to find that selected scattering and ray theoretical phase-velocity maps are coincident in pattern, and differ only slightly in amplitude.

Electron scattering on molecules: search for semi-empirical indications

NASA Astrophysics Data System (ADS)

Fedus, Kamil; Karwasz, Grzegorz P.

2017-06-01

Reliable cross-sections for electron-molecule collisions are urgently needed for numerical modeling of various processes important from technological point of view. Unfortunately, a significant progress in theory and experiment over the last decade is not usually accompanied by the convergence of cross-sections measured at different laboratories and calculated with different methods. Moreover the most advanced contemporary theories involve such large basis sets and complicated equations that they are not easily applied to each specific molecule for which data are needed. For these reasons the search for semi-empirical indications in angular and energy dependencies of scattering cross-section becomes important. In this paper we make a brief review of the applicability of the Born-dipole approximation for elastic, rotational, vibrational and ionization processes that can occur during electron-molecule collisions. We take into account the most recent experimental findings as the reference points. Contribution to the Topical Issue "Atomic and Molecular Data and Their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, and Grzegorz Karwasz.

131 iodine gamma dose determination in the thyroid gland using two geometrical shapes: a comparative study

NASA Astrophysics Data System (ADS)

Betka, A.; Bentabet, A.; Azbouche, A.; Fenineche, N.; Adjiri, A.; Dib, A.

2015-05-01

In order to study the internal gamma dose, we used a Monte Carlo code ‘Penelope’ simulation with two geometrical models (cylindrical and spherical). The deposited energy was determined via the loss of energy calculated from the quantum theory for inelastic collisions based on the first-order (plane-wave) Born approximation for charged particles with individual atoms and molecules. Our results show that the cylindrical geometry is more suitable for carrying out such a study. Moreover, we developed an analytical expression for the 131 iodine gamma dose (the energy deposited per photon absorbed dose). This latter could be considered as an important tool for evaluating the gamma dose without going through stochastic models.

Gate-controlled current and inelastic electron tunneling spectrum of benzene: a self-consistent study.

PubMed

Liang, Y Y; Chen, H; Mizuseki, H; Kawazoe, Y

2011-04-14

We use density functional theory based nonequilibrium Green's function to self-consistently study the current through the 1,4-benzenedithiol (BDT). The elastic and inelastic tunneling properties through this Au-BDT-Au molecular junction are simulated, respectively. For the elastic tunneling case, it is found that the current through the tilted molecule can be modulated effectively by the external gate field, which is perpendicular to the phenyl ring. The gate voltage amplification comes from the modulation of the interaction between the electrodes and the molecules in the junctions. For the inelastic case, the electron tunneling scattered by the molecular vibrational modes is considered within the self-consistent Born approximation scheme, and the inelastic electron tunneling spectrum is calculated.

Final Scientific/Technical Report: Breakthrough Design and Implementation of Many-Body Theories for Electron Correlation

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

So Hirata

2012-01-03

This report discusses the following highlights of the project: (1) grid-based Hartree-Fock equation solver; (2) explicitly correlated coupled-cluster and perturbation methods; (3) anharmonic vibrational frequencies and vibrationally averaged NMR and structural parameters of FHF; (4) anharmonic vibrational frequencies and vibrationally averaged structures of hydrocarbon combustion species; (5) anharmonic vibrational analysis of the guanine-cytosine base pair; (6) the nature of the Born-Oppenheimer approximation; (7) Polymers and solids Brillouin-zone downsampling - the modulo MP2 method; (8) explicitly correlated MP2 for extended systems; (9) fast correlated method for molecular crystals - solid formic acid; and (10) fast correlated method for molecular crystals -more » solid hydrogen fluoride.« less

The Born-Infeld vortices induced from a generalized Higgs mechanism.

PubMed

Han, Xiaosen

2016-04-01

We construct self-dual Born-Infeld vortices induced from a generalized Higgs mechanism. Two specific models of the theory are of focused interest where the Higgs potential is either of a | ϕ | 4 - or | ϕ | 6 -type. For the | ϕ | 4 -model, we obtain a sharp existence and uniqueness theorem for doubly periodic and planar vortices. For doubly periodic solutions, a necessary and sufficient condition for the existence is explicitly derived in terms of the vortex number, the Born-Infeld parameter, and the size of the periodic lattice domain. For the | ϕ | 6 -model, we show that both topological and non-topological vortices are present. This new phenomenon distinguishes the model from the classical Born-Infeld-Higgs theory studied earlier in the literature. A series of results regarding doubly periodic, topological, and non-topological vortices in the | ϕ | 6 -model are also established.

The improvement of a simple theoretical model for the prediction of the sound insulation of double leaf walls.

PubMed

Davy, John L

2010-02-01

This paper presents a revised theory for predicting the sound insulation of double leaf cavity walls that removes an approximation, which is usually made when deriving the sound insulation of a double leaf cavity wall above the critical frequencies of the wall leaves due to the airborne transmission across the wall cavity. This revised theory is also used as a correction below the critical frequencies of the wall leaves instead of a correction due to Sewell [(1970). J. Sound Vib. 12, 21-32]. It is found necessary to include the "stud" borne transmission of the window frames when modeling wide air gap double glazed windows. A minimum value of stud transmission is introduced for use with resilient connections such as steel studs. Empirical equations are derived for predicting the effective sound absorption coefficient of wall cavities without sound absorbing material. The theory is compared with experimental results for double glazed windows and gypsum plasterboard cavity walls with and without sound absorbing material in their cavities. The overall mean, standard deviation, maximum, and minimum of the differences between experiment and theory are -0.6 dB, 3.1 dB, 10.9 dB at 1250 Hz, and -14.9 dB at 160 Hz, respectively.

Eddington's theory of gravity and its progeny.

PubMed

Bañados, Máximo; Ferreira, Pedro G

2010-07-02

We resurrect Eddington's proposal for the gravitational action in the presence of a cosmological constant and extend it to include matter fields. We show that the Newton-Poisson equation is modified in the presence of sources and that charged black holes show great similarities with those arising in Born-Infeld electrodynamics coupled to gravity. When we consider homogeneous and isotropic space-times, we find that there is a minimum length (and maximum density) at early times, clearly pointing to an alternative theory of the big bang. We thus argue that the modern formulation of Eddington's theory, Born-Infeld gravity, presents us with a novel, nonsingular description of the Universe.

Divergence of the total cross section for three body rearrangement collisions with coulomb interactions

NASA Technical Reports Server (NTRS)

Omidvar, K.

1972-01-01

Three charged particles 1, 2, 3 collide according to the reaction 1+(2+3) yields (1+3)+2, where (2+3) and (1+3) are hydrogenlike bound states. It is shown when (1+3) is in a highly excited state n, due to the repulsive potential, the cross section in the first Born approximation behaves as 1/n which makes the total cross section to diverge like ln n. The total cross sections in the higher orders of the Born approximation are similarly divergent logarithmically.

Bounding the electrostatic free energies associated with linear continuum models of molecular solvation.

PubMed

Bardhan, Jaydeep P; Knepley, Matthew G; Anitescu, Mihai

2009-03-14

The importance of electrostatic interactions in molecular biology has driven extensive research toward the development of accurate and efficient theoretical and computational models. Linear continuum electrostatic theory has been surprisingly successful, but the computational costs associated with solving the associated partial differential equations (PDEs) preclude the theory's use in most dynamical simulations. Modern generalized-Born models for electrostatics can reproduce PDE-based calculations to within a few percent and are extremely computationally efficient but do not always faithfully reproduce interactions between chemical groups. Recent work has shown that a boundary-integral-equation formulation of the PDE problem leads naturally to a new approach called boundary-integral-based electrostatics estimation (BIBEE) to approximate electrostatic interactions. In the present paper, we prove that the BIBEE method can be used to rigorously bound the actual continuum-theory electrostatic free energy. The bounds are validated using a set of more than 600 proteins. Detailed numerical results are presented for structures of the peptide met-enkephalin taken from a molecular-dynamics simulation. These bounds, in combination with our demonstration that the BIBEE methods accurately reproduce pairwise interactions, suggest a new approach toward building a highly accurate yet computationally tractable electrostatic model.

Bounding the electrostatic free energies associated with linear continuum models of molecular solvation

NASA Astrophysics Data System (ADS)

Bardhan, Jaydeep P.; Knepley, Matthew G.; Anitescu, Mihai

2009-03-01

The importance of electrostatic interactions in molecular biology has driven extensive research toward the development of accurate and efficient theoretical and computational models. Linear continuum electrostatic theory has been surprisingly successful, but the computational costs associated with solving the associated partial differential equations (PDEs) preclude the theory's use in most dynamical simulations. Modern generalized-Born models for electrostatics can reproduce PDE-based calculations to within a few percent and are extremely computationally efficient but do not always faithfully reproduce interactions between chemical groups. Recent work has shown that a boundary-integral-equation formulation of the PDE problem leads naturally to a new approach called boundary-integral-based electrostatics estimation (BIBEE) to approximate electrostatic interactions. In the present paper, we prove that the BIBEE method can be used to rigorously bound the actual continuum-theory electrostatic free energy. The bounds are validated using a set of more than 600 proteins. Detailed numerical results are presented for structures of the peptide met-enkephalin taken from a molecular-dynamics simulation. These bounds, in combination with our demonstration that the BIBEE methods accurately reproduce pairwise interactions, suggest a new approach toward building a highly accurate yet computationally tractable electrostatic model.

Higher order alchemical derivatives from coupled perturbed self-consistent field theory.

PubMed

Lesiuk, Michał; Balawender, Robert; Zachara, Janusz

2012-01-21

We present an analytical approach to treat higher order derivatives of Hartree-Fock (HF) and Kohn-Sham (KS) density functional theory energy in the Born-Oppenheimer approximation with respect to the nuclear charge distribution (so-called alchemical derivatives). Modified coupled perturbed self-consistent field theory is used to calculate molecular systems response to the applied perturbation. Working equations for the second and the third derivatives of HF/KS energy are derived. Similarly, analytical forms of the first and second derivatives of orbital energies are reported. The second derivative of Kohn-Sham energy and up to the third derivative of Hartree-Fock energy with respect to the nuclear charge distribution were calculated. Some issues of practical calculations, in particular the dependence of the basis set and Becke weighting functions on the perturbation, are considered. For selected series of isoelectronic molecules values of available alchemical derivatives were computed and Taylor series expansion was used to predict energies of the "surrounding" molecules. Predicted values of energies are in unexpectedly good agreement with the ones computed using HF/KS methods. Presented method allows one to predict orbital energies with the error less than 1% or even smaller for valence orbitals. © 2012 American Institute of Physics

Density functional calculations of multiphonon capture cross sections at defects in semiconductors

NASA Astrophysics Data System (ADS)

Barmparis, Georgios D.; Puzyrev, Yevgeniy S.; Zhang, X.-G.; Pantelides, Sokrates T.

2014-03-01

The theory of electron capture cross sections by multiphonon processes in semiconductors has a long and controversial history. Here we present a comprehensive theory and describe its implementation for realistic calculations. The Born-Oppenheimer and the Frank-Condon approximations are employed. The transition probability of an incoming electron is written as a product of an instantaneous electronic transition in the initial defect configuration and the line shape function (LSF) that describes the multiphonon processes that lead to lattice relaxation. The electronic matrix elements are calculated using the Projector Augmented Wave (PAW) method which yields the true wave functions while still employing a plane-wave basis. The LSF is calculated by employing a Monte Carlo method and the real phonon modes of the defect, calculated using density functional theory in the PAW scheme. Initial results of the capture cross section for a prototype system, namely a triply hydrogenated vacancy in Si are presented. The results are relevant for modeling device degradation by hot electron effects. This work is supported in part by the Samsung Advanced Institute of Technology (SAIT)'s Global Research Outreach (GRO) Program and by the LDRD program at ORNL.

Surface singularities in Eddington-inspired Born-Infeld gravity.

PubMed

Pani, Paolo; Sotiriou, Thomas P

2012-12-21

Eddington-inspired Born-Infeld gravity was recently proposed as an alternative to general relativity that offers a resolution of spacetime singularities. The theory differs from Einstein's gravity only inside matter due to nondynamical degrees of freedom, and it is compatible with all current observations. We show that the theory is reminiscent of Palatini f(R) gravity and that it shares the same pathologies, such as curvature singularities at the surface of polytropic stars and unacceptable Newtonian limit. This casts serious doubt on its viability.

Stability of thin shell wormholes with a modified Chaplygin gas in Einstein-Hoffman-Born-Infeld theory

NASA Astrophysics Data System (ADS)

Eid, A.

2017-11-01

In the framework of Darmois-Israel formalism, the dynamics of motion equations of spherically symmetric thin shell wormholes that are supported by a modified Chaplygin gas in Einstein-Hoffman-Born-Infeld theory are constructed. The stability analysis of a thin shell wormhole is also discussed using a linearized radial perturbation around static solutions at the wormhole throat. The existence of stable static solutions depends on the value of some parameters of dynamical shell.

Waveform inversion of mantle Love waves: The born seismogram approach

NASA Technical Reports Server (NTRS)

Tanimoto, T.

1983-01-01

Normal mode theory, extended to the slightly laterally heterogeneous Earth by the first-order Born approximation, is applied to the waveform inversion of mantle Love waves (200-500 sec) for the Earth's lateral heterogeneity at l=2 and a spherically symmetric anelasticity (Q sub mu) structure. The data are from the Global Digital Seismograph Network (GDSN). The l=2 pattern is very similar to the results of other studies that used either different methods, such as phase velocity measurements and multiplet location measurements, or a different data set, such as mantle Rayleigh waves from different instruments. The results are carefully analyzed for variance reduction and are most naturally explained by heterogeneity in the upper 420 km. Because of the poor resolution of the data set for the deep interior, however, a fairly large heterogeneity in the transition zones, of the order of up to 3.5% in shear wave velocity, is allowed. It is noteworthy that Love waves of this period range can not constrain the structure below 420 km and thus any model presented by similar studies below this depth are likely to be constrained by Rayleigh waves (spheroidal modes) only.

Waveform inversion of mantle Love waves - The Born seismogram approach

NASA Technical Reports Server (NTRS)

Tanimoto, T.

1984-01-01

Normal mode theory, extended to the slightly laterally heterogeneous earth by the first-order Born approximation, is applied to the waveform inversion of mantle Love waves (200-500 sec) for the earth's lateral heterogeneity at l = 2 and a spherically symmetric anelasticity (Q sub mu) structure. The data are from the Global Digital Seismograph Network (GDSN). The l = 2 pattern is very similar to the results of other studies that used either different methods, such as phase velocity measurements and multiplet location measurements, or a different data set, such as mantle Rayleigh waves from different instruments. The results are carefully analyzed for variance reduction and are most naturally explained by heterogeneity in the upper 420 km. Because of the poor resolution of the data set for the deep interior, however, a fairly large heterogeneity in the transition zones, of the order of up to 3.5 percent in shear wave velocity, is allowed. It is noteworthy that Love waves of this period range can not constrain the structure below 420 km and thus any model presented by similar studies below this depth are likely to be constrained by Rayleigh waves (spheroidal modes) only.

Application of the Boundary Element Method to Elastic Wave Scattering Problems in Ultrasonic Nondestructive Evaluation.

NASA Astrophysics Data System (ADS)

Schafbuch, Paul Jay

The boundary element method (BEM) is used to numerically simulate the interaction of ultrasonic waves with material defects such as voids, inclusions, and open cracks. The time harmonic formulation is in 3D and therefore allows flaws of arbitrary shape to be modeled. The BEM makes such problems feasible because the underlying boundary integral equation only requires a surface (2D) integration and difficulties associated with the seemingly infinite extent of the host domain are not encountered. The computer code utilized in this work is built upon recent advances in elastodynamic boundary element theory such as a scheme for self adjusting integration order and singular integration regularization. Incident fields may be taken as compressional or shear plane waves or predicted by an approximate Gauss -Hermite beam model. The code is highly optimized for voids and has been coupled with computer aided engineering packages for automated flaw shape definition and mesh generation. Subsequent graphical display of intermediate results supports model refinement and physical interpretation. Final results are typically cast in a nondestructive evaluation (NDE) context as either scattering amplitudes or flaw signals (via a measurement model based on a reciprocity integral). The near field is also predicted which allows for improved physical insight into the scattering process and the evaluation of certain modeling approximations. The accuracy of the BEM approach is first examined by comparing its predictions to those of other models for single, isolated scatterers. The comparisons are with the predictions of analytical solutions for spherical defects and with MOOT and T-matrix calculations for axisymmetric flaws. Experimental comparisons are also made for volumetric shapes with different characteristic dimensions in all three directions, since no other numerical approach has yet produced results of this type. Theoretical findings regarding the fictitious eigenfrequency difficulty are substantiated through the analytical solution of a fundamental elastodynamics problem and corresponding BEM studies. Given the confidence in the BEM technique engendered by these comparisons, it is then used to investigate the modeling of "open", cracklike defects amenable to a volumetric formulation. The limits of applicability of approximate theories (e.g., quasistatic, Kirchhoff, and geometric theory of diffraction) are explored for elliptical cracks, from this basis. The problem of two interacting scatterers is then considered. Results from a fully implicit approach and from a more efficient hybrid scheme are compared with generalized Born and farfield approximate interaction theories.

Application of the boundary element method to elastic wave scattering problems in ultrasonic nondestructive evaluation

NASA Astrophysics Data System (ADS)

Schafbuch, Paul Jay

1991-02-01

The boundary element method (BEM) is used to numerically simulate the interaction of ultrasonic waves with material defects such as voids, inclusions, and open cracks. The time harmonic formulation is in 3D and therefore allows flaws of arbitrary shape to be modeled. The BEM makes such problems feasible because the underlying boundary integral equation only requires a surface (2D) integration and difficulties associated with the seemingly infinite extent of the host domain are not encountered. The computer code utilized in this work is built upon recent advances in elastodynamic boundary element theory such as a scheme for self adjusting integration order and singular integration regularization. Incident fields may be taken as compressional or shear plane waves or predicted by an approximate Gauss-Hermite beam model. The code is highly optimized for voids and has been coupled with computer aided engineering packages for automated flaw shape definition and mesh generation. Subsequent graphical display of intermediate results supports model refinement and physical interpretation. Final results are typically cast in a nondestructive evaluation (NDE) context as either scattering amplitudes or flaw signals (via a measurement model based on a reciprocity integral). The near field is also predicted which allows for improved physical insight into the scattering process and the evaluation of certain modeling approximations. The accuracy of the BEM approach is first examined by comparing its predictions to those of other models for single, isolated scatters. The comparisons are with the predictions of analytical solutions for spherical defects and with MOOT and T-matrix calculations for axisymmetric flaws. Experimental comparisons are also made for volumetric shapes with different characteristic dimensions in all three directions, since no other numerical approach has yet produced results of this type. Theoretical findings regarding the fictitious eigenfrequency difficulty are substantiated through the analytical solution of a fundamental elastodynamics problem and corresponding BEM studies. Given the confidence in the BEM technique engendered by these comparisons, it is then used to investigate the modeling of 'open', cracklike defects amenable to a volumetric formulation. The limits of applicability of approximate theories (e.g., quasistatic, Kirchhoff, and geometric theory of diffraction) are explored for elliptical cracks, from this basis. The problem of two interacting scatterers is then considered. Results from a fully implicit approach and from a more efficient hybrid scheme are compared with generalized Born and farfield approximate interaction theories.

A rational explanation of wave-particle duality of light

NASA Astrophysics Data System (ADS)

Rashkovskiy, S. A.

2013-10-01

The wave-particle duality is a fundamental property of the nature. At the same time, it is one of the greatest mysteries of modern physics. This gave rise to a whole direction in quantum physics - the interpretation of quantum mechanics. The Wiener experiments demonstrating the wave-particle duality of light are discussed. It is shown that almost all interpretations of quantum mechanics allow explaining the double-slit experiments, but are powerless to explain the Wiener experiments. The reason of the paradox, associated with the wave-particle duality is analyzed. The quantum theory consists of two independent parts: (i) the dynamic equations describing the behavior of a quantum object (for example, the Schrodinger or Maxwell equations), and (ii) the Born's rule, the relation between the wave function and the probability of finding the particle at a given point. It is shown that precisely the Born's rule results in paradox in explaining the wave-particle duality. In order to eliminate this paradox, we propose a new rational interpretation of the wave-particle duality and associated new rule, connecting the corpuscular and wave properties of quantum objects. It is shown that this new rational interpretation of the wave-particle duality allows using the classic images of particle and wave in explaining the quantum mechanical and optical phenomena, does not result in paradox in explaining the doubleslit experiments and Wiener experiments, and does not contradict to the modern quantum mechanical concepts. It is shown that the Born's rule follows immediately from proposed new rules as an approximation.

Tales of the Once-Born and the Twice-Born in the Divided City: The Necessity of Literacy in a Print Culture.

ERIC Educational Resources Information Center

Bhola, H. S.

This paper is based on the premise that the myth of the "Twice-Born" perpetuated by the high-caste Hindus of ancient India; the metaphors of re-birth, freedom, and light used by new literatures coming out of adult literacy classes; and current socio-biological theories of human evolution all speak to the truly transformational character…

A Model with Ellipsoidal Scatterers for Polarimetric Remote Sensing of Anisotropic Layered Media

NASA Technical Reports Server (NTRS)

Nghiem, S. V.; Kwok, R.; Kong, J. A.; Shin, R. T.

1993-01-01

This paper presents a model with ellipsoidal scatterers for applications to polarimetric remote sensing of anisotropic layered media at microwave frequencies. The physical configuration includes an isotropic layer covering an anisotropic layer above a homogeneous half space. The isotropic layer consists of randomly oriented spheroids. The anisotropic layer contains ellipsoidal scatterers with a preferential vertical alignment and random azimuthal orientations. Effective permittivities of the scattering media are calculated with the strong fluctuation theory extended to account for the nonspherical shapes and the scatterer orientation distributions. On the basis of the analytic wave theory, dyadic Green's functions for layered media are used to derive polarimetric backscattering coefficients under the distorted Born approximation. The ellipsoidal shape of the scatterers gives rise to nonzero cross-polarized returns from the untilted anisotropic medium in the first-order approximation. Effects of rough interfaces are estimated by an incoherent addition method. Theoretical results and experimental data are matched at 9 GHz for thick first-year sea ice with a bare surface and with a snow cover at Point Barrow, Alaska. The model is then used to study the sensitivity of polarimetric backscattering coefficients with respect to correlation lengths representing the geometry of brine inclusions. Polarimetric signatures of bare and snow-covered sea ice are also simulated based on the model to investigate effects of different scattering mechanisms.

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

Scherrer, Arne; UMR 8640 ENS-CNRS-UPMC, Département de Chimie, 24 rue Lhomond, École Normale Supérieure, 75005 Paris; UPMC Université Paris 06, 4, Place Jussieu, 75005 Paris

The nuclear velocity perturbation theory (NVPT) for vibrational circular dichroism (VCD) is derived from the exact factorization of the electron-nuclear wave function. This new formalism offers an exact starting point to include correction terms to the Born-Oppenheimer (BO) form of the molecular wave function, similar to the complete-adiabatic approximation. The corrections depend on a small parameter that, in a classical treatment of the nuclei, is identified as the nuclear velocity. Apart from proposing a rigorous basis for the NVPT, we show that the rotational strengths, related to the intensity of the VCD signal, contain a new contribution beyond-BO that canmore » be evaluated with the NVPT and that only arises when the exact factorization approach is employed. Numerical results are presented for chiral and non-chiral systems to test the validity of the approach.« less

Dynamic conductivity and plasmon profile of aluminum in the ultra-fast-matter regime

NASA Astrophysics Data System (ADS)

Dharma-wardana, M. W. C.

2016-06-01

We use an explicitly isochoric two-temperature theory to analyze recent x-ray laser scattering data for aluminum in the ultra-fast-matter (UFM) regime up to 6 eV. The observed surprisingly low conductivities are explained by including strong electron-ion scattering effects using the phase shifts calculated via the neutral-pseudo-atom model. The difference between the static conductivity for UFM-Al and equilibrium aluminum in the warm-dense matter state is clearly brought out by comparisons with available density-fucntional+molecular-dynamics simulations. Thus the applicability of the Mermin model to UFM is questioned. The static and dynamic conductivity, collision frequency, and the plasmon line shape, evaluated within the simplest Born approximation for UFM aluminum, are in good agreement with experiment.

Next Generation Extended Lagrangian Quantum-based Molecular Dynamics

NASA Astrophysics Data System (ADS)

Negre, Christian

2017-06-01

A new framework for extended Lagrangian first-principles molecular dynamics simulations is presented, which overcomes shortcomings of regular, direct Born-Oppenheimer molecular dynamics, while maintaining important advantages of the unified extended Lagrangian formulation of density functional theory pioneered by Car and Parrinello three decades ago. The new framework allows, for the first time, energy conserving, linear-scaling Born-Oppenheimer molecular dynamics simulations, which is necessary to study larger and more realistic systems over longer simulation times than previously possible. Expensive, self-consinstent-field optimizations are avoided and normal integration time steps of regular, direct Born-Oppenheimer molecular dynamics can be used. Linear scaling electronic structure theory is presented using a graph-based approach that is ideal for parallel calculations on hybrid computer platforms. For the first time, quantum based Born-Oppenheimer molecular dynamics simulation is becoming a practically feasible approach in simulations of +100,000 atoms-representing a competitive alternative to classical polarizable force field methods. In collaboration with: Anders Niklasson, Los Alamos National Laboratory.

A systematic review of mathematical models of mosquito-borne pathogen transmission: 1970–2010

PubMed Central

Reiner, Robert C.; Perkins, T. Alex; Barker, Christopher M.; Niu, Tianchan; Chaves, Luis Fernando; Ellis, Alicia M.; George, Dylan B.; Le Menach, Arnaud; Pulliam, Juliet R. C.; Bisanzio, Donal; Buckee, Caroline; Chiyaka, Christinah; Cummings, Derek A. T.; Garcia, Andres J.; Gatton, Michelle L.; Gething, Peter W.; Hartley, David M.; Johnston, Geoffrey; Klein, Eili Y.; Michael, Edwin; Lindsay, Steven W.; Lloyd, Alun L.; Pigott, David M.; Reisen, William K.; Ruktanonchai, Nick; Singh, Brajendra K.; Tatem, Andrew J.; Kitron, Uriel; Hay, Simon I.; Scott, Thomas W.; Smith, David L.

2013-01-01

Mathematical models of mosquito-borne pathogen transmission originated in the early twentieth century to provide insights into how to most effectively combat malaria. The foundations of the Ross–Macdonald theory were established by 1970. Since then, there has been a growing interest in reducing the public health burden of mosquito-borne pathogens and an expanding use of models to guide their control. To assess how theory has changed to confront evolving public health challenges, we compiled a bibliography of 325 publications from 1970 through 2010 that included at least one mathematical model of mosquito-borne pathogen transmission and then used a 79-part questionnaire to classify each of 388 associated models according to its biological assumptions. As a composite measure to interpret the multidimensional results of our survey, we assigned a numerical value to each model that measured its similarity to 15 core assumptions of the Ross–Macdonald model. Although the analysis illustrated a growing acknowledgement of geographical, ecological and epidemiological complexities in modelling transmission, most models during the past 40 years closely resemble the Ross–Macdonald model. Modern theory would benefit from an expansion around the concepts of heterogeneous mosquito biting, poorly mixed mosquito-host encounters, spatial heterogeneity and temporal variation in the transmission process. PMID:23407571

Shock wave polarizations and optical metrics in the Born and the Born–Infeld electrodynamics

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

Minz, Christoph, E-mail: christoph.minz@alumni.tu-berlin.de; Borzeszkowski, Horst-Heino von, E-mail: borzeszk@mailbox.tu-berlin.de; Chrobok, Thoralf, E-mail: tchrobok@mailbox.tu-berlin.de

We analyze the behavior of shock waves in nonlinear theories of electrodynamics. For this, by use of generalized Hadamard step functions of increasing order, the electromagnetic potential is developed in a series expansion near the shock wave front. This brings about a corresponding expansion of the respective electromagnetic field equations which allows for deriving relations that determine the jump coefficients in the expansion series of the potential. We compute the components of a suitable gauge-normalized version of the jump coefficients given for a prescribed tetrad compatible with the shock front foliation. The solution of the first-order jump relations shows that,more » in contrast to linear Maxwell’s electrodynamics, in general the propagation of shock waves in nonlinear theories is governed by optical metrics and polarization conditions describing the propagation of two differently polarized waves (leading to a possible appearance of birefringence). In detail, shock waves are analyzed in the Born and Born–Infeld theories verifying that the Born–Infeld model exhibits no birefringence and the Born model does. The obtained results are compared to those ones found in literature. New results for the polarization of the two different waves are derived for Born-type electrodynamics.« less

Next generation extended Lagrangian first principles molecular dynamics

NASA Astrophysics Data System (ADS)

Niklasson, Anders M. N.

2017-08-01

Extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] is formulated for general Hohenberg-Kohn density-functional theory and compared with the extended Lagrangian framework of first principles molecular dynamics by Car and Parrinello [Phys. Rev. Lett. 55, 2471 (1985)]. It is shown how extended Lagrangian Born-Oppenheimer molecular dynamics overcomes several shortcomings of regular, direct Born-Oppenheimer molecular dynamics, while improving or maintaining important features of Car-Parrinello simulations. The accuracy of the electronic degrees of freedom in extended Lagrangian Born-Oppenheimer molecular dynamics, with respect to the exact Born-Oppenheimer solution, is of second-order in the size of the integration time step and of fourth order in the potential energy surface. Improved stability over recent formulations of extended Lagrangian Born-Oppenheimer molecular dynamics is achieved by generalizing the theory to finite temperature ensembles, using fractional occupation numbers in the calculation of the inner-product kernel of the extended harmonic oscillator that appears as a preconditioner in the electronic equations of motion. Material systems that normally exhibit slow self-consistent field convergence can be simulated using integration time steps of the same order as in direct Born-Oppenheimer molecular dynamics, but without the requirement of an iterative, non-linear electronic ground-state optimization prior to the force evaluations and without a systematic drift in the total energy. In combination with proposed low-rank and on the fly updates of the kernel, this formulation provides an efficient and general framework for quantum-based Born-Oppenheimer molecular dynamics simulations.

Next generation extended Lagrangian first principles molecular dynamics.

PubMed

Niklasson, Anders M N

2017-08-07

Extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] is formulated for general Hohenberg-Kohn density-functional theory and compared with the extended Lagrangian framework of first principles molecular dynamics by Car and Parrinello [Phys. Rev. Lett. 55, 2471 (1985)]. It is shown how extended Lagrangian Born-Oppenheimer molecular dynamics overcomes several shortcomings of regular, direct Born-Oppenheimer molecular dynamics, while improving or maintaining important features of Car-Parrinello simulations. The accuracy of the electronic degrees of freedom in extended Lagrangian Born-Oppenheimer molecular dynamics, with respect to the exact Born-Oppenheimer solution, is of second-order in the size of the integration time step and of fourth order in the potential energy surface. Improved stability over recent formulations of extended Lagrangian Born-Oppenheimer molecular dynamics is achieved by generalizing the theory to finite temperature ensembles, using fractional occupation numbers in the calculation of the inner-product kernel of the extended harmonic oscillator that appears as a preconditioner in the electronic equations of motion. Material systems that normally exhibit slow self-consistent field convergence can be simulated using integration time steps of the same order as in direct Born-Oppenheimer molecular dynamics, but without the requirement of an iterative, non-linear electronic ground-state optimization prior to the force evaluations and without a systematic drift in the total energy. In combination with proposed low-rank and on the fly updates of the kernel, this formulation provides an efficient and general framework for quantum-based Born-Oppenheimer molecular dynamics simulations.

Determination of the charge of relativistic heavy nuclei from emulsion tracks

NASA Technical Reports Server (NTRS)

Morgan, S. H., Jr.; Eby, P. B.

1971-01-01

The number of delta rays with energies between 50 and 150 keV that are produced by heavy nuclei in emulsions is calculated. The Z(2) dependence predicted by the first Born approximation is corrected by a direct calculation of the Mott exact phase-shift scattering cross section. Comparisons are made with corrections predicted by the second Born approximation. When the phase-shift results are applied to the problem of charge identification, corrections of up to 4 units of charge for 1.457-GeV/nucleon nuclei with charge Z = 75 are found.

Measurements of the scattering of sound by a line vortex

NASA Technical Reports Server (NTRS)

Horne, W. C.

1983-01-01

This paper presents measurements of the phase and magnitude of the scattered field arising from the incidence of a monochromatic plane sound field as a steady vortex. The amplitude of the scattered field was found to vary linearly with the vortex strength, and with the incident wave amplitude and frequency as predicted by solutions based on the Born approximation. The scattered field was observed to be nonsingular in the incidence direction, and this was similar to predictions by the Parabolic Equation Method (PEM) rather than the Born approximation, which predicts singular behavior in the incidence direction.

Initial results from the Caltech/DSRI balloon-borne isotope experiment

NASA Technical Reports Server (NTRS)

Schindler, S. M.; Buffington, A.; Christian, E. C.; Grove, J. E.; Lau, K. H.; Stone, E. C.; Rasmussen, I. L.; Laursen, S.

1985-01-01

The Caltech/DSRI balloon-borne High Energy Isotope Spectrometer Telescope (HEIST) was flown successfully from Palestine, Texas on 14 May 1984. The experiment was designed to measure cosmic ray isotopic abundances from neon through iron, with incident particle energies from approximately 1.5 to 2.2 GeV/nucleon, depending on the element. During approximately 38 hours at float altitude, 10 to the 5th events were recorded with Z or = 6 and incident energies 1.5 GeV/nucleon. We present results from the ongoing data analysis associated with both the pre-flight Bevalac calibration and the flight data.

Resonant nuclear scattering of synchrotron radiation: Detector development and specular scattering from a thin layer of {sup 57}Fe

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

Baron, A.Q.R.

1995-04-01

This thesis explores resonant nudear scattering of synchrotron radiation. An introductory chapter describes some useful concepts, such as speedup and coherent enhancement, in the context of some basic physical principles. Methods of producing highly monochromatic synchrotron beams usmg either electronic or nuclear scattering are also discussed. The body of the thesis concentrates on detector development and specular scattering from iynthetic layered materials. A detector employing n-dcrochannel plate electron multipliers is shown to have good ({approximately}50%) effidency for detecting 14.4 key x-rays incident at small ({approximately}0.5 degree) grazing angles onto Au or CsI photocathodes. However, being complicated to use, it wasmore » replaced with a large area (>=lan2) avalanche photodiode (APD) detector. The APD`s are simpler to use and have comparable (30--70%) efficiencies at 14.4 key, subnanosecond time resolution, large dynan-dc range (usable at rates up to {approximately}10{sup 8} photons/second) and low (<{approximately}0.01 cts/sec) background rates. Maxwell`s equations are used to derive the specular x-ray reflectivity of layered materials with resonant transitions and complex polarization dependencies. The effects of interfadal roughness are treated with some care, and the distorted wave Born approximation (DWBA) used to describe electronic scattering is generalized to the nuclear case. The implications of the theory are discussed in the context of grazing incidence measurements with emphasis on the kinematic and dynamical aspects of the scattering.« less

Laboratory simulation of rocket-borne D-region blunt probe flows

NASA Technical Reports Server (NTRS)

Kaplan, L. B.

1977-01-01

The flow of weakly ionized plasmas that is similar to the flow that occurs over rocket-borne blunt probes as they pass through the lower ionosphere has been simulated in a scaled laboratory environment, and electron collection D region blunt probe theories have been evaluated.

Quantum control of the normal modes of benzene with ultrafast laser pulses

NASA Astrophysics Data System (ADS)

Sauer, Petra; Dou, Yusheng; Torralva, Ben; Allen, Roland

2005-03-01

Remarkable innovations in laser technology have made it possible to create laser pulses with ultrashort durations (below 100 femtoseconds) and ultrahigh intensities (above 1 terawatt per cm^2). To understand the behavior of complex molecules and materials in this new regime of physics, chemistry, biology, and materials science requires innovative techniques which complement experiment and standard theory, and which can treat situations in which conventional approximations like the Born- Oppenheimer approximation, the Franck-Condon principle, and Fermi's golden rule are no longer valid. In this talk we describe a method that we are developing, semiclassical electron-radiation-ion dyanmics (SERID), which can be used to perform simulations of the coupled dynamics of electrons and nuclei in an intense radiation field. We have employed this technique in studying the normal modes of benzene, and the possibility of controlling these modes by optimizing the laser pulses that are applied to the molecule. Animations will be shown of particular normal modes, including the breathing and beating modes, illustrating their symmetries and other properties, and of the photodissociation of benzene when the laser pulse exceeds a threshold intensity.

Born-Infeld Gravity Revisited

NASA Astrophysics Data System (ADS)

Setare, M. R.; Sahraee, M.

2013-12-01

In this paper, we investigate the behavior of linearized gravitational excitation in the Born-Infeld gravity in AdS3 space. We obtain the linearized equation of motion and show that this higher-order gravity propagate two gravitons, massless and massive, on the AdS3 background. In contrast to the R2 models, such as TMG or NMG, Born-Infeld gravity does not have a critical point for any regular choice of parameters. So the logarithmic solution is not a solution of this model, due to this one cannot find a logarithmic conformal field theory as a dual model for Born-Infeld gravity.

First Encounter: A Child Is Born, a Self Is Born.

ERIC Educational Resources Information Center

Roeper, Annemarie

1995-01-01

This article considers the very early development of a self in the infant and young child, using theories of Sigmund Freud. The vital role of relationships, especially the mother-child relationship, for the developing self is stressed. Stages of learning trust and inner controls are also addressed. (DB)

Evolving Identities among Russian-Born Buriat Mongolian Children in a Chinese Bilingual School

ERIC Educational Resources Information Center

Sartor, Valerie

2016-01-01

This article addresses identity issues among a specific group of Indigenous youth, young Buriat Mongolian students, born in Russia, who struggled to understand their sense of cultural identity while living and studying in Chinese Inner Mongolia. This qualitative research project employed ethnographic methodology. Sociocultural theory, specifically…

Generalized Born Models of Macromolecular Solvation Effects

NASA Astrophysics Data System (ADS)

Bashford, Donald; Case, David A.

2000-10-01

It would often be useful in computer simulations to use a simple description of solvation effects, instead of explicitly representing the individual solvent molecules. Continuum dielectric models often work well in describing the thermodynamic aspects of aqueous solvation, and approximations to such models that avoid the need to solve the Poisson equation are attractive because of their computational efficiency. Here we give an overview of one such approximation, the generalized Born model, which is simple and fast enough to be used for molecular dynamics simulations of proteins and nucleic acids. We discuss its strengths and weaknesses, both for its fidelity to the underlying continuum model and for its ability to replace explicit consideration of solvent molecules in macromolecular simulations. We focus particularly on versions of the generalized Born model that have a pair-wise analytical form, and therefore fit most naturally into conventional molecular mechanics calculations.

Quasiparticle interference in multiband superconductors with strong coupling

NASA Astrophysics Data System (ADS)

Dutt, A.; Golubov, A. A.; Dolgov, O. V.; Efremov, D. V.

2017-08-01

We develop a theory of the quasiparticle interference (QPI) in multiband superconductors based on the strong-coupling Eliashberg approach within the Born approximation. In the framework of this theory, we study dependencies of the QPI response function in the multiband superconductors with the nodeless s -wave superconductive order parameter. We pay special attention to the difference in the quasiparticle scattering between the bands having the same and opposite signs of the order parameter. We show that at the momentum values close to the momentum transfer between two bands, the energy dependence of the quasiparticle interference response function has three singularities. Two of these correspond to the values of the gap functions and the third one depends on both the gaps and the transfer momentum. We argue that only the singularity near the smallest band gap may be used as a universal tool to distinguish between the s++ and s± order parameters. The robustness of the sign of the response function peak near the smaller gap value, irrespective of the change in parameters, in both the symmetry cases is a promising feature that can be harnessed experimentally.

Radial oscillations and stability of compact stars in Eddington-inspired Born-Infeld gravity

NASA Astrophysics Data System (ADS)

Sham, Y.-H.; Lin, L.-M.; Leung, P. T.

2012-09-01

We study the hydrostatic equilibrium structure of compact stars in the Eddington-inspired Born-Infeld gravity recently proposed by Bañados and Ferreira [Phys. Rev. Lett. 105, 011101 (2010)]. We also develop a framework to study the radial perturbations and stability of compact stars in this theory. We find that the standard results of stellar stability still hold in this theory. The frequency square of the fundamental oscillation mode vanishes for the maximum-mass stellar configuration. The dependence of the oscillation mode frequencies on the coupling parameter κ of the theory is also investigated. We find that the fundamental mode is insensitive to the value of κ, while higher-order modes depend more strongly on κ.

Leadership: Making Things Happen.

ERIC Educational Resources Information Center

Sisk, Dorothy A.

This monograph presents activities and guidelines for developing leadership training programs for gifted and talented students. Three theories of leadership are discussed: trait theory which assumes that one is either born with leadership talent or one does not have it; leadership style theory in which the patterns of leadership are categorized as…

Expressive Language in Preschoolers Born Preterm: Results of Language Sample Analysis and Standardized Assessment

ERIC Educational Resources Information Center

Imgrund, Caitlin

2017-01-01

Children born preterm constitute one of the largest populations of children at risk for the development of language impairments. A little over one in ten pregnancies result in a preterm birth and approximately 25% of these children go on to experience subsequent difficulties with language (CDC, 2015; Foster-Cohen, Friesen, Champion, &…

Immunological control of ticks and tick-borne diseases that impact cattle health and production in Mexico

USDA-ARS?s Scientific Manuscript database

The cattle industry is one of the most important agroeconomic activities in Mexico. The national herd is estimated to include approximately 33.5 million head of cattle. Ticks and tick-borne diseases are principal factors with a negative impact on cattle health and production in Mexico. The most econ...

Born-Oppenheimer Interatomic Forces from Simple, Local Kinetic Energy Density Functionals

NASA Astrophysics Data System (ADS)

Karasiev, V. V.; Trickey, S. B.; Harris, Frank E.

2006-10-01

Rapid calculation of Born-Oppenheimer (B-O) forces is essential for driving the so-called quantum region of a multi-scale molecular dynamics simulation. The success of density functional theory (DFT) with modern exchange-correlation approximations makes DFT an appealing choice for this role. But conventional Kohn-Sham DFT, even with various linear-scaling implementations, really is not fast enough to meet the challenge of complicated chemo-mechanical phenomena (e.g. stress-induced cracking in the presence of a solvent). Moreover, those schemes involve approximations that are difficult to check practically or to validate formally. A popular alternative, Car-Parrinello dynamics, does not guarantee motion on the B-O surface. Another approach, orbital-free DFT, is appealing but has proven difficult to implement because of the challenge of constructing reliable orbital-free (OF) approximations to the kinetic energy (KE) functional. To be maximally useful for multi-scale simulations, an OF-KE functional must be local (i.e. one-point). This requirement eliminates the two-point functionals designed to have proper linear-response behavior in the weakly inhomogeneous limit. In the face of these difficulties, we demonstrate that there is a way forward. By requiring only that the approximate functional deliver high-quality forces, by exploiting the “conjointness” hypothesis of Lee, Lee, and Parr, by enforcing a basic positivity constraint, and by parameterizing to a carefully selected, small set of molecules we are able to generate a KE functional that does a good job of describing various H q Si m O n clusters as well as CO (providing encouraging evidence of transferability). In addition to that positive result, we discuss several major negative results. First is definitive proof that the conjointness hypothesis is not correct, but nevertheless is useful. The second is the failure of a considerable variety of published KE functionals of the generalized gradient approximation type. Those functionals yield no minimum on the energy surface and give completely incorrect forces. In all cases, the problem can be traced to incorrect behavior of the functionals near the nuclei. Third, the seemingly obvious strategy of direct numerical fitting of OF-KE functional parameters to reproduce the energy surface of selected molecules is unsuccessful. The functionals that result are completely untransferable.

Theory of low-energy electron-molecule collision physics in the coupled-channel method and application to e-CO/sub 2/ scattering. [0. 01 to 10 eV, potentials, partial waves

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

Morrison, M.A.

1976-08-01

A theory of electron-molecule scattering based on the fixed-nuclei approximation in a body-fixed reference frame is formulated and applied to e-CO/sub 2/ collisions in the energy range from 0.07 to 10.0 eV. The procedure used is a single-center coupled-channel method which incorporates a highly accurate static interaction potential, an approximate local exchange potential, and an induced polarization potential. Coupled equations are solved by a modification of the integral equations algorithm; several partial waves are required in the region of space near the nuclei, and a transformation procedure is developed to handle the consequent numerical problems. The potential energy is convergedmore » by separating electronic and nuclear contributions in a Legendre-polynomial expansion and including a large number of the latter. Formulas are derived for total elastic, differential, momentum transfer, and rotational excitation cross sections. The Born and asymptotic decoupling approximations are derived and discussed in the context of comparison with the coupled-channel cross sections. Both are found to be unsatisfactory in the energy range under consideration. An extensive discussion of the technical aspects of calculations for electron collisions with highly nonspherical targets is presented, including detailed convergence studies and a discussion of various numerical difficulties. The application to e-CO/sub 2/ scattering produces converged results in good agreement with observed cross sections. Various aspects of the physics of this collision are discussed, including the 3.8 eV shape resonance, which is found to possess both p and f character, and the anomalously large low-energy momentum transfer cross sections, which are found to be due to ..sigma../sub g/ symmetry. Comparison with static and static-exchange approximations are made.« less

Weak scattering of scalar and electromagnetic random fields

NASA Astrophysics Data System (ADS)

Tong, Zhisong

This dissertation encompasses several studies relating to the theory of weak potential scattering of scalar and electromagnetic random, wide-sense statistically stationary fields from various types of deterministic or random linear media. The proposed theory is largely based on the first Born approximation for potential scattering and on the angular spectrum representation of fields. The main focus of the scalar counterpart of the theory is made on calculation of the second-order statistics of scattered light fields in cases when the scattering medium consists of several types of discrete particles with deterministic or random potentials. It is shown that the knowledge of the correlation properties for the particles of the same and different types, described with the newly introduced pair-scattering matrix, is crucial for determining the spectral and coherence states of the scattered radiation. The approach based on the pair-scattering matrix is then used for solving an inverse problem of determining the location of an "alien" particle within the scattering collection of "normal" particles, from several measurements of the spectral density of scattered light. Weak scalar scattering of light from a particulate medium in the presence of optical turbulence existing between the scattering centers is then approached using the combination of the Born's theory for treating the light interaction with discrete particles and the Rytov's theory for light propagation in extended turbulent medium. It is demonstrated how the statistics of scattered radiation depend on scattering potentials of particles and the power spectra of the refractive index fluctuations of turbulence. This theory is of utmost importance for applications involving atmospheric and oceanic light transmission. The second part of the dissertation includes the theoretical procedure developed for predicting the second-order statistics of the electromagnetic random fields, such as polarization and linear momentum, scattered from static media. The spatial distribution of these properties of scattered fields is shown to be substantially dependent on the correlation and polarization properties of incident fields and on the statistics of the refractive index distribution within the scatterers. Further, an example is considered which illustrates the usefulness of the electromagnetic scattering theory of random fields in the case when the scattering medium is a thin bio-tissue layer with the prescribed power spectrum of the refractive index fluctuations. The polarization state of the scattered light is shown to be influenced by correlation and polarization states of the illumination as well as by the particle size distribution of the tissue slice.

Communication: On the calculation of time-dependent electron flux within the Born-Oppenheimer approximation: A flux-flux reflection principle

NASA Astrophysics Data System (ADS)

Albert, Julian; Hader, Kilian; Engel, Volker

2017-12-01

It is commonly assumed that the time-dependent electron flux calculated within the Born-Oppenheimer (BO) approximation vanishes. This is not necessarily true if the flux is directly determined from the continuity equation obeyed by the electron density. This finding is illustrated for a one-dimensional model of coupled electronic-nuclear dynamics. There, the BO flux is in perfect agreement with the one calculated from a solution of the time-dependent Schrödinger equation for the coupled motion. A reflection principle is derived where the nuclear BO flux is mapped onto the electronic flux.

First-principles calculations reveal controlling principles for carrier mobilities in semiconductors

DOE PAGES

Wu, Yu -Ning; Zhang, Xiaoguang; Pantelides, Sokrates T.; ...

2016-10-11

It has long been believed that carrier mobilities in semiconductors can be calculated by Fermi s golden rule (Born approximation). Phenomenological models for scattering amplitudes are typically used for engineering- level device modeling. Here we introduce a parameter-free, first-principles approach based on complex- wavevector energy bands that does not invoke the Born approximation. We show that phonon-limited mobility is controlled by low-resistivity percolation paths and that in ionized-impurity scattering one must account for the effect of the screening charge, which cancels most of the Coulomb tail.Finally, calculated electron mobilities in silicon are in agreement with experimental data.

Comparing the role of the height of men and women in the marriage market.

PubMed

Yamamura, Eiji; Tsutsui, Yoshiro

2017-08-01

This paper explores how the role of men and women's height in the marriage market has changed across generations. Using individual-level data from Japan, we compared the effect of height on marriages between men and women, and investigated how the effect of height on marriage has changed across generations. Our key findings are: (1) for men born before 1965, a 1% increase in height led to an approximately 0.56% increase in the probability of being married. Conversely, for women born before 1965, a 1% increase in height led to an approximately 0.56% decrease in the probability of being married. (2) For men born in or after 1965, a 1% increase in height led to an approximately 1.05% (0.18%) increase (decrease) in the probability of being married (divorced). However, the height effect was not present for women. Japan experienced astounding economic development after World War II, which resulted in changes in its economic and social structure. These changes may have also altered the role of height for Japanese men and women in the marriage market. Copyright © 2017 Elsevier B.V. All rights reserved.

High energy scattering in QCD and in quantum gravity

NASA Astrophysics Data System (ADS)

Lipatov, L. N.

2014-06-01

The theory of the high energy scattering in QCD is based on the BFKL equation for the Pomeron wave function and on its generalization for composite multi-gluon states in the crossing channel. At a large number of colors the equations for the gluon composite states have remarkable mathematical properties including their Möbius invariance, holomorphic separability, duality symmetry and integrability. High energy QCD interactions local in the particle rapidities are formulated in the form of the gauge invariant effective action. In the maximally extended N = 4 super-symmetry the Pomeron turns out to be dual to the reggeized graviton in the 10-dimensional anti-de-Sitter space. As a result, the Gribov calculus for the Pomeron interactions should be reformulated here as a generally covariant effective field theory for the reggeized gravitons. We construct the corresponding effective action, which gives a possibility to calculate their trajectory and couplings. The graviton trajectory in the leading order contains an ultraviolet divergency meaning the presence of the double-logarithmic (DL) terms. We sum the DL contributions in all orders of the perturbation theory in the Einstein-Hilbert gravity and in its super-symmetric generalizations. In the N = 8 super gravity the ratio of the scattering amplitude in the DL approximation to the Born expression tends to zero at large energies.

Specific Learning Disabilities and the Concept of Psychological Subdeprivation: The Czechoslovak Experience.

ERIC Educational Resources Information Center

Matejcek, Zdenek; Dytrych, Zdenek

1993-01-01

The main outcomes of the Prague (Czechoslovakia) longitudinal studies following over 1,000 children for almost 30 years are summarized. The children were either born from unwanted pregnancies, with alcoholic fathers, born out-of-wedlock, or in divorced families. A theory of psychological subdeprivation is offered and applied to children with…

Theoretical Factors Affecting Parental Roles in Children's Mathematical Learning in American and Chinese-Born Mothers

ERIC Educational Resources Information Center

Hunt, Jessica H.; Hu, Bi Ying

2011-01-01

This introductory qualitative study sought to explain American and Chinese-born mothers' personal beliefs and experiences with mathematics, views of U.S. mathematics curriculum, and how these factors influenced motivation regarding roles played in their children's mathematical learning through expectancy-value and attribution theories. The…

Cross sections of relativistic radiative electron capture by use of the strong-potential Born calculation

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

Hino, K.; Watanabe, T.

1987-07-15

The relativistically extended strong-potential Born (SPB) formalism is applied to the radiative electron capture process caused by the bombardment of a heavy and highly stripped charged particle with relativistically high velocity. The results are compared with those by use of nonrelativistic SPB calculations and with those by use of the relativistic Born calculation (Sauter's formula), which includes no distortion effects between a heavy projectile ion and an active electron. Even if the strong distortion effects are taken into consideration, the shapes of photon angular distributions in the laboratory frame still nearly depend on sin/sup 2/theta/sub L/(theta/sub L/ is the anglemore » of the emitted photon) in the vicinity of the angle of 90/sup 0/, which is the same as the results by use of Sauter's formula. The higher the charge of a projectile ion becomes, however, the greater the discrepancy between the angular shape of our results and that of Sauter's becomes at both smaller and larger angles than at 90/sup 0/. As is expected, the magnitudes of the differential and the total cross sections are drastically influenced by the distortion effects ascribable to a large charge of a heavy projectile ion such as U/sup 92+/. Our results are in good agreement with recent experiments. In addition, the Coulomb off-shell factor introduced by the SPB theory is found playing important roles in the case of the relativistic radiative electron capture process because the results calculated by using the relativistic impulse approximation are too underestimated.« less

Acceptance and Transformation of English Educational Theory in Japan: On Student-Centered Education

ERIC Educational Resources Information Center

Kuwamura, Teresa

2014-01-01

In Japan, various theories and methodologies of English education born in other countries have been practiced, but the result has left a lot to be desired. Still, each theory has its own sociocultural background. When theory goes beyond its culture and locality, it transforms by losing its originality and absorbing new elements from a different…

Investigation of the radiation background in the interaction region of the medium-energy electron relativisitic heavy ion collider (MeRHIC)

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

Beebe-Wang,J.

There are three main sources of the radiation background in MeRHIC: forward synchrotron radiation generated upstream of the detector, the direct backward radiation caused by the photons hitting beampipe downstream of the detector, and the indirect secondary radiation caused by hard photons hitting vacuum systems, masks, collimators, absorbers or any other elements in the interaction region. In this paper, we first calculate the primary radiation distribution by employing electromagnetic theory. Then we obtain the direct backward scattering rate by applying the kinematic Born approximation deduced from scattering dynamics. The diffuse scattering cross section is calculated as a function of themore » surface properties of the MeRHIC vacuum system. Finally, the dominating physical processes and minimization of indirect secondary radiation is presented and discussed.« less

Electron impact polarization of atomic spectral lines. I - A general theoretical scheme

NASA Technical Reports Server (NTRS)

Fineschi, Silvano; Degl'innocenti, Egidio L.

1992-01-01

A suitable theoretical scheme able to describe, in a wide variety of astrophysical situations, the phenomenon of atomic line polarization by electron impact is developed. Starting from the general principles of quantum mechanics and assuming the Born approximation, the rate equations for the density matrix elements of a multilevel atomic system, interacting with a nonrelativistic electron beam having any kind of angular distribution, are derived in full generality. The resulting theory generalizes the previous ones by accounting for the collisional rates and the cross sections concerning both inelastic and superelastic collisions (in any geometrical situation), and, moreover, by taking into account the coherences among Zeeman sublevels split by a magnetic field. As an example of particular relevance, the general formulas derived in the first sections of the paper are subsequently particularized to the case of the electric dipole interaction.

Accurate Cross Sections for Microanalysis.

PubMed

Rez, Peter

2002-01-01

To calculate the intensity of x-ray emission in electron beam microanalysis requires a knowledge of the energy distribution of the electrons in the solid, the energy variation of the ionization cross section of the relevant subshell, the fraction of ionizations events producing x rays of interest and the absorption coefficient of the x rays on the path to the detector. The theoretical predictions and experimental data available for ionization cross sections are limited mainly to K shells of a few elements. Results of systematic plane wave Born approximation calculations with exchange for K, L, and M shell ionization cross sections over the range of electron energies used in microanalysis are presented. Comparisons are made with experimental measurement for selected K shells and it is shown that the plane wave theory is not appropriate for overvoltages less than 2.5 V.

Scattering and absorption of massless scalar waves by Born-Infeld black holes

NASA Astrophysics Data System (ADS)

Sanchez, Pablo Alejandro; Bretón, Nora; Bergliaffa, Santiago Esteban Perez

2018-06-01

We present the results of a study of the scattering of massless planar scalar waves by a Born-Infeld black hole. The scattering and absorption cross sections are calculated using partial-wave methods. The numerical results are checked by reproducing those of the Reissner-Nordstrom black hole, and also using several approximations, with which our results are in very good agreement. The dependence of these phenomena on the effective potential, the charge of the black hole, and the value of the Born-Infeld parameter is discussed.

Migration timing and parenting practices: Contributions to social development in preschoolers with foreign-born and native-born mothers

PubMed Central

Glick, Jennifer E.; Hanish, Laura D.; Yabiku, Scott T.; Bradley, Robert H.

2012-01-01

Little is known about how key aspects of parental migration or child-rearing history affect social development across children from immigrant families. Relying on data on approximately 6,400 children from the Early Childhood Longitudinal Study – Birth Cohort, analyses assessed the role of mothers’ age at migration on children’s social development in the United States (sociability and problem behaviors). Consistent with models of divergent adaptation and assimilation, the relationship between age at arrival and children’s social development is not linear. Parenting practices, observed when children were approximately 24 months of age, partially mediated the relation between mothers’ age at arrival and children’s social development reported at approximate age 48 months, particularly in the case of mothers who arrived as adults. PMID:22966921

Second-order Born calculation of coplanar symmetric (e, 2e) process on Mg

NASA Astrophysics Data System (ADS)

Zhang, Yong-Zhi; Wang, Yang; Zhou, Ya-Jun

2014-06-01

The second-order distorted wave Born approximation (DWBA) method is employed to investigate the triple differential cross sections (TDCS) of coplanar doubly symmetric (e, 2e) collisions for magnesium at excess energies of 6 eV-20 eV. Comparing with the standard first-order DWBA calculations, the inclusion of the second-order Born term in the scattering amplitude improves the degree of agreement with experiments, especially for backward scattering region of TDCS. This indicates that the present second-order Born term is capable to give a reasonable correction to DWBA model in studying coplanar symmetric (e, 2e) problems of two-valence-electron target in low energy range.

Improvements in mode-based waveform modeling and application to Eurasian velocity structure

NASA Astrophysics Data System (ADS)

Panning, M. P.; Marone, F.; Kim, A.; Capdeville, Y.; Cupillard, P.; Gung, Y.; Romanowicz, B.

2006-12-01

We introduce several recent improvements to mode-based 3D and asymptotic waveform modeling and examine how to integrate them with numerical approaches for an improved model of upper-mantle structure under eastern Eurasia. The first step in our approach is to create a large-scale starting model including shear anisotropy using Nonlinear Asymptotic Coupling Theory (NACT; Li and Romanowicz, 1995), which models the 2D sensitivity of the waveform to the great-circle path between source and receiver. We have recently improved this approach by implementing new crustal corrections which include a non-linear correction for the difference between the average structure of several large regions from the global model with further linear corrections to account for the local structure along the path between source and receiver (Marone and Romanowicz, 2006; Panning and Romanowicz, 2006). This model is further refined using a 3D implementation of Born scattering (Capdeville, 2005). We have made several recent improvements to this method, in particular introducing the ability to represent perturbations to discontinuities. While the approach treats all sensitivity as linear perturbations to the waveform, we have also experimented with a non-linear modification analogous to that used in the development of NACT. This allows us to treat large accumulated phase delays determined from a path-average approximation non-linearly, while still using the full 3D sensitivity of the Born approximation. Further refinement of shallow regions of the model is obtained using broadband forward finite-difference waveform modeling. We are also integrating a regional Spectral Element Method code into our tomographic modeling, allowing us to move beyond many assumptions inherent in the analytic mode-based approaches, while still taking advantage of their computational efficiency. Illustrations of the effects of these increasingly sophisticated steps will be presented.

Temperature equilibration rate with Fermi-Dirac statistics.

PubMed

Brown, Lowell S; Singleton, Robert L

2007-12-01

We calculate analytically the electron-ion temperature equilibration rate in a fully ionized, weakly to moderately coupled plasma, using an exact treatment of the Fermi-Dirac electrons. The temperature is sufficiently high so that the quantum-mechanical Born approximation to the scattering is valid. It should be emphasized that we do not build a model of the energy exchange mechanism, but rather, we perform a systematic first principles calculation of the energy exchange. At the heart of this calculation lies the method of dimensional continuation, a technique that we borrow from quantum field theory and use in a different fashion to regulate the kinetic equations in a consistent manner. We can then perform a systematic perturbation expansion and thereby obtain a finite first-principles result to leading and next-to-leading order. Unlike model building, this systematic calculation yields an estimate of its own error and thus prescribes its domain of applicability. The calculational error is small for a weakly to moderately coupled plasma, for which our result is nearly exact. It should also be emphasized that our calculation becomes unreliable for a strongly coupled plasma, where the perturbative expansion that we employ breaks down, and one must then utilize model building and computer simulations. Besides providing different and potentially useful results, we use this calculation as an opportunity to explain the method of dimensional continuation in a pedagogical fashion. Interestingly, in the regime of relevance for many inertial confinement fusion experiments, the degeneracy corrections are comparable in size to the subleading quantum correction below the Born approximation. For consistency, we therefore present this subleading quantum-to-classical transition correction in addition to the degeneracy correction.

Twins less frequent than expected among male births in risk averse populations.

PubMed

Karasek, Deborah; Goodman, Julia; Gemmill, Alison; Falconi, April; Hartig, Terry; Magganas, Aristotle; Catalano, Ralph

2015-06-01

Male twin gestations exhibit higher incidence of fetal morbidity and mortality than singleton gestations. From an evolutionary perspective, the relatively high rates of infant and child mortality among male twins born into threatening environments reduce the fitness of these gestations, making them more vulnerable to fetal loss. Women do not perceive choosing to spontaneously abort gestations although the outcome may result from estimates, made without awareness, of the risks of continuing a pregnancy. Here, we examine whether the non-conscious decisional biology of gestation can be linked to conscious risk aversion. We test this speculation by measuring the association between household surveys in Sweden that gauge financial risk aversion in the population and the frequency of twins among live male births. We used time-series regression methods to estimate our suspected associations and Box-Jenkins modeling to ensure that autocorrelation did not confound the estimation or reduce its efficiency. We found, consistent with theory, that financial risk aversion in the population correlates inversely with the odds of a twin among Swedish males born two months later. The odds of a twin among males fell by approximately 3.5% two months after unexpectedly great risk aversion in the population. This work implies that shocks that affect population risk aversion carry implications for fetal loss in vulnerable twin pregnancies.

Active matter beyond mean-field: ring-kinetic theory for self-propelled particles.

PubMed

Chou, Yen-Liang; Ihle, Thomas

2015-02-01

Recently, Hanke et al. [Phys. Rev. E 88, 052309 (2013)] showed that mean-field kinetic theory fails to describe collective motion in soft active colloids and that correlations must not be neglected. Correlation effects are also expected to be essential in systems of biofilaments driven by molecular motors and in swarms of midges. To obtain correlations in an active matter system from first principles, we derive a ring-kinetic theory for Vicsek-style models of self-propelled agents from the exact N-particle evolution equation in phase space. The theory goes beyond mean-field and does not rely on Boltzmann's approximation of molecular chaos. It can handle precollisional correlations and cluster formation, which are both important to understand the phase transition to collective motion. We propose a diagrammatic technique to perform a small-density expansion of the collision operator and derive the first two equations of the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy. An algorithm is presented that numerically solves the evolution equation for the two-particle correlations on a lattice. Agent-based simulations are performed and informative quantities such as orientational and density correlation functions are compared with those obtained by ring-kinetic theory. Excellent quantitative agreement between simulations and theory is found at not-too-small noises and mean free paths. This shows that there are parameter ranges in Vicsek-like models where the correlated closure of the BBGKY hierarchy gives correct and nontrivial results. We calculate the dependence of the orientational correlations on distance in the disordered phase and find that it seems to be consistent with a power law with an exponent around -1.8, followed by an exponential decay. General limitations of the kinetic theory and its numerical solution are discussed.

Migration Timing and Parenting Practices: Contributions to Social Development in Preschoolers with Foreign-Born and Native-Born Mothers

ERIC Educational Resources Information Center

Glick, Jennifer E.; Hanish, Laura D.; Yabiku, Scott T.; Bradley, Robert H.

2012-01-01

Little is known about how key aspects of parental migration or childrearing history affect social development across children from immigrant families. Relying on data on approximately 6,400 children from the Early Childhood Longitudinal Study-Birth Cohort, analyses assessed the role of mother's age at migration on children's social development in…

CMB weak-lensing beyond the Born approximation: a numerical approach

NASA Astrophysics Data System (ADS)

Fabbian, Giulio; Calabrese, Matteo; Carbone, Carmelita

2018-02-01

We perform a complete study of the gravitational lensing effect beyond the Born approximation on the Cosmic Microwave Background (CMB) anisotropies using a multiple-lens raytracing technique through cosmological N-body simulations of the DEMNUni suite. The impact of second-order effects accounting for the non-linear evolution of large-scale structures is evaluated propagating for the first time the full CMB lensing jacobian together with the light rays trajectories. We carefully investigate the robustness of our approach against several numerical effects in the raytracing procedure and in the N-body simulation itself, and find no evidence of large contaminations. We discuss the impact of beyond-Born corrections on lensed CMB observables, and compare our results with recent analytical predictions that appeared in the literature, finding a good agreement, and extend these results to smaller angular scales. We measure the gravitationally-induced CMB polarization rotation that appears in the geodesic equation at second order, and compare this result with the latest analytical predictions. We then present the detection prospect of beyond-Born effects with the future CMB-S4 experiment. We show that corrections to the temperature power spectrum can be measured only if a good control of the extragalactic foregrounds is achieved. Conversely, the beyond-Born corrections on E and B-modes power spectra will be much more difficult to detect.

Theory of optical transitions in conjugated polymers. I. Ideal systems.

PubMed

Barford, William; Marcus, Max

2014-10-28

We describe a theory of linear optical transitions in conjugated polymers. The theory is based on three assumptions. The first is that the low-lying excited states of conjugated polymers are Frenkel excitons coupled to local normal modes, described by the Frenkel-Holstein model. Second, we assume that the relevant parameter regime is ℏω ≪ J, i.e., the adiabatic regime, and thus the Born-Oppenheimer factorization of the electronic and nuclear degrees of freedom is generally applicable. Finally, we assume that the Condon approximation is valid, i.e., the exciton-polaron wavefunction is essentially independent of the normal modes. Using these assumptions we derive an expression for an effective Huang-Rhys parameter for a chain (or chromophore) of N monomers, given by S(N) = S(1)/IPR, where S(1) is the Huang-Rhys parameter for an isolated monomer. IPR is the inverse participation ratio, defined by IPR = (∑(n)|Ψ(n)|(4))(-1), where Ψ(n) is the exciton center-of-mass wavefunction. Since the IPR is proportional to the spread of the exciton center-of-mass wavefunction, this is a key result, as it shows that S(N) decreases with chain length. As in molecules, in a polymer S(N) has two interpretations. First, ℏωS(N) is the relaxation energy of an excited state caused by its coupling to the normal modes. Second, S(N) appears in the definition of an effective Franck-Condon factor, F(0v)(N) = S(N)(v)exp ( - S(N))/v! for the vth vibronic manifold. We show that the 0 - 0 and 0 - 1 optical intensities are proportional to F00(N) and F01(N), respectively, and thus the ratio of the 0 - 1 to 0 - 0 absorption and emission intensities are proportional to S(N). These analytical results are checked by extensive DMRG calculations and found to be generally valid, particularly for emission. However, for large chain lengths higher-lying quasimomentum exciton states become degenerate with the lowest vibrational excitation of the lowest exciton state. When this happens there is mixing of the electronic and nuclear states and a partial breakdown of the Born-Oppenheimer approximation, meaning that the ratio of the 0 - 0 to 0 - 1 absorption intensities no longer increases as fast as the IPR. When ℏω/J = 0.1, a value applicable to phenyl-based polymers, the critical value of N is ~20 monomers.

Theory of optical transitions in conjugated polymers. I. Ideal systems

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

Barford, William, E-mail: william.barford@chem.ox.ac.uk; Marcus, Max; Magdalen College, University of Oxford, Oxford OX1 4AU

We describe a theory of linear optical transitions in conjugated polymers. The theory is based on three assumptions. The first is that the low-lying excited states of conjugated polymers are Frenkel excitons coupled to local normal modes, described by the Frenkel-Holstein model. Second, we assume that the relevant parameter regime is ℏω ≪ J, i.e., the adiabatic regime, and thus the Born-Oppenheimer factorization of the electronic and nuclear degrees of freedom is generally applicable. Finally, we assume that the Condon approximation is valid, i.e., the exciton-polaron wavefunction is essentially independent of the normal modes. Using these assumptions we derive anmore » expression for an effective Huang-Rhys parameter for a chain (or chromophore) of N monomers, given by S(N) = S(1)/IPR, where S(1) is the Huang-Rhys parameter for an isolated monomer. IPR is the inverse participation ratio, defined by IPR = (∑{sub n}|Ψ{sub n}|{sup 4}){sup −1}, where Ψ{sub n} is the exciton center-of-mass wavefunction. Since the IPR is proportional to the spread of the exciton center-of-mass wavefunction, this is a key result, as it shows that S(N) decreases with chain length. As in molecules, in a polymer S(N) has two interpretations. First, ℏωS(N) is the relaxation energy of an excited state caused by its coupling to the normal modes. Second, S(N) appears in the definition of an effective Franck-Condon factor, F{sub 0v}(N) = S(N){sup v}exp ( − S(N))/v! for the vth vibronic manifold. We show that the 0 − 0 and 0 − 1 optical intensities are proportional to F{sub 00}(N) and F{sub 01}(N), respectively, and thus the ratio of the 0 − 1 to 0 − 0 absorption and emission intensities are proportional to S(N). These analytical results are checked by extensive DMRG calculations and found to be generally valid, particularly for emission. However, for large chain lengths higher-lying quasimomentum exciton states become degenerate with the lowest vibrational excitation of the lowest exciton state. When this happens there is mixing of the electronic and nuclear states and a partial breakdown of the Born-Oppenheimer approximation, meaning that the ratio of the 0 − 0 to 0 − 1 absorption intensities no longer increases as fast as the IPR. When ℏω/J = 0.1, a value applicable to phenyl-based polymers, the critical value of N is ∼20 monomers.« less

Correlation, evaluation, and extension of linearized theories for tire motion and wheel shimmy

NASA Technical Reports Server (NTRS)

Smiley, Robert F

1957-01-01

An evaluation is made of the existing theories of a linearized tire motion and wheel shimmy. It is demonstrated that most of the previously published theories represent varying degrees of approximation to a summary theory developed in this report which is a minor modification of the basic theory of Von Schlippe and Dietrich. In most cases where strong differences exist between the previously published theories and summary theory, the previously published theories are shown to possess certain deficiencies. A series of systematic approximations to the summary theory is developed for the treatment of problems too simple to merit the use of the complete summary theory, and procedures are discussed for applying the summary theory and its systematic approximations to the shimmy of more complex landing-gear structures than have previously been considered. Comparisons of the existing experimental data with the predictions of the summary theory and the systematic approximations provide a fair substantiation of the more detailed approximate theories.

Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.

PubMed

Martínez, Enrique; Cawkwell, Marc J; Voter, Arthur F; Niklasson, Anders M N

2015-04-21

Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached at each time step. The thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.

Strengthening Families with First-Born Children: Exploratory Story of the Outcomes of a Home Visiting Intervention

ERIC Educational Resources Information Center

de la Rosa, Ivan A.; Perry, Joanne; Dalton, Lisa E.; Johnson, Victoria

2005-01-01

Objective: Using a theory of change framework, this study examines outcome measures of a home visitation program that provided services to first-born children and their parents living in southwestern New Mexico. Method: Home visitation workers conducted pretest and posttest assessments for prenatal and postpartum periods for 109 families receiving…

Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion.

PubMed

Albert, Julian; Falge, Mirjam; Gomez, Sandra; Sola, Ignacio R; Hildenbrand, Heiko; Engel, Volker

2015-07-28

We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion

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

Albert, Julian; Falge, Mirjam; Hildenbrand, Heiko

2015-07-28

We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

Expansive Learning: Benefits and Limitations of Subject-Scientific Learning Theory

ERIC Educational Resources Information Center

Grotluschen, Anke

2005-01-01

One critical learning theory that has survived is once again being acclaimed. Subject-scientific theory requires learners to be taken seriously. Their reasons and resistance need to be brought into the open. This requirement was too radical for schools since it does not allow a fixed syllabus. It has borne fruit, however, in continuing education.…

Spatial Risk Assessments Based on Vector-Borne Disease Epidemiologic Data: Importance of Scale for West Nile Virus Disease in Colorado

PubMed Central

Winters, Anna M.; Eisen, Rebecca J.; Delorey, Mark J.; Fischer, Marc; Nasci, Roger S.; Zielinski-Gutierrez, Emily; Moore, Chester G.; Pape, W. John; Eisen, Lars

2010-01-01

We used epidemiologic data for human West Nile virus (WNV) disease in Colorado from 2003 and 2007 to determine 1) the degree to which estimates of vector-borne disease occurrence is influenced by spatial scale of data aggregation (county versus census tract), and 2) the extent of concordance between spatial risk patterns based on case counts versus incidence. Statistical analyses showed that county, compared with census tract, accounted for approximately 50% of the overall variance in WNV disease incidence, and approximately 33% for the subset of cases classified as West Nile neuroinvasive disease. These findings indicate that sub-county scale presentation provides valuable risk information for stakeholders. There was high concordance between spatial patterns of WNV disease incidence and case counts for census tract (83%) but not for county (50%) or zip code (31%). We discuss how these findings impact on practices to develop spatial epidemiologic data for vector-borne diseases and present data to stakeholders. PMID:20439980

Three-dimensional inversion of multisource array electromagnetic data

NASA Astrophysics Data System (ADS)

Tartaras, Efthimios

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

Total Born approximation cross sections for single electron loss by atoms and ions colliding with atoms

NASA Technical Reports Server (NTRS)

Rule, D. W.

1977-01-01

The first born approximation (FBA) is applied to the calculation of single electron loss cross sections for various ions and atoms containing from one to seven electrons. Screened hydrogenic wave functions were used for the states of the electron ejected from the projectile, and Hartree-Fock elastic and incoherent scattering factors were used to describe the target. The effect of the target atom on the scaling of projectile ionization cross sections with respect to the projectile nuclear charge was explored in the case of hydrogen-like ions. Scaling of the cross section with respect to the target nuclear charge for electron loss by Fe (+25) in collision with neutral atoms ranging from H to Fe is also examined. These results were compared to those of the binary encounter approximation and to the FBA for the case of ionization by completely stripped target ions.

Black hole solutions in mimetic Born-Infeld gravity

NASA Astrophysics Data System (ADS)

Chen, Che-Yu; Bouhmadi-López, Mariam; Chen, Pisin

2018-01-01

The vacuum, static, and spherically symmetric solutions in the mimetic Born-Infeld gravity are studied. The mimetic Born-Infeld gravity is a reformulation of the Eddington-inspired-Born-Infeld (EiBI) model under the mimetic approach. Due to the mimetic field, the theory contains non-trivial vacuum solutions different from those in Einstein gravity. We find that with the existence of the mimetic field, the spacelike singularity inside a Schwarzschild black hole could be altered to a lightlike singularity, even though the curvature invariants still diverge at the singularity. Furthermore, in this case, the maximal proper time for a timelike radially-infalling observer to reach the singularity is found to be infinite.

Black hole solutions in mimetic Born-Infeld gravity.

PubMed

Chen, Che-Yu; Bouhmadi-López, Mariam; Chen, Pisin

2018-01-01

The vacuum, static, and spherically symmetric solutions in the mimetic Born-Infeld gravity are studied. The mimetic Born-Infeld gravity is a reformulation of the Eddington-inspired-Born-Infeld (EiBI) model under the mimetic approach. Due to the mimetic field, the theory contains non-trivial vacuum solutions different from those in Einstein gravity. We find that with the existence of the mimetic field, the spacelike singularity inside a Schwarzschild black hole could be altered to a lightlike singularity, even though the curvature invariants still diverge at the singularity. Furthermore, in this case, the maximal proper time for a timelike radially-infalling observer to reach the singularity is found to be infinite.

Black hole solutions in mimetic Born-Infeld gravity

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

Chen, Che-Yu; Bouhmadi-López, Mariam; Chen, Pisin

The vacuum, static, and spherically symmetric solutions in the mimetic Born-Infeld gravity are studied. The mimetic Born-Infeld gravity is a reformulation of the Eddington-inspired-Born-Infeld (EiBI) model under the mimetic approach. Due to the mimetic field, the theory contains non-trivial vacuum solutions different from those in Einstein gravity. Here, we find that with the existence of the mimetic field, the spacelike singularity inside a Schwarzschild black hole could be altered to a lightlike singularity, even though the curvature invariants still diverge at the singularity. Furthermore, in this case, the maximal proper time for a timelike radially-infalling observer to reach the singularitymore » is found to be infinite.« less

Black hole solutions in mimetic Born-Infeld gravity

DOE PAGES

Chen, Che-Yu; Bouhmadi-López, Mariam; Chen, Pisin

2018-01-23

The vacuum, static, and spherically symmetric solutions in the mimetic Born-Infeld gravity are studied. The mimetic Born-Infeld gravity is a reformulation of the Eddington-inspired-Born-Infeld (EiBI) model under the mimetic approach. Due to the mimetic field, the theory contains non-trivial vacuum solutions different from those in Einstein gravity. Here, we find that with the existence of the mimetic field, the spacelike singularity inside a Schwarzschild black hole could be altered to a lightlike singularity, even though the curvature invariants still diverge at the singularity. Furthermore, in this case, the maximal proper time for a timelike radially-infalling observer to reach the singularitymore » is found to be infinite.« less

Recasting the theory of mosquito-borne pathogen transmission dynamics and control.

PubMed

Smith, David L; Perkins, T Alex; Reiner, Robert C; Barker, Christopher M; Niu, Tianchan; Chaves, Luis Fernando; Ellis, Alicia M; George, Dylan B; Le Menach, Arnaud; Pulliam, Juliet R C; Bisanzio, Donal; Buckee, Caroline; Chiyaka, Christinah; Cummings, Derek A T; Garcia, Andres J; Gatton, Michelle L; Gething, Peter W; Hartley, David M; Johnston, Geoffrey; Klein, Eili Y; Michael, Edwin; Lloyd, Alun L; Pigott, David M; Reisen, William K; Ruktanonchai, Nick; Singh, Brajendra K; Stoller, Jeremy; Tatem, Andrew J; Kitron, Uriel; Godfray, H Charles J; Cohen, Justin M; Hay, Simon I; Scott, Thomas W

2014-04-01

Mosquito-borne diseases pose some of the greatest challenges in public health, especially in tropical and sub-tropical regions of the world. Efforts to control these diseases have been underpinned by a theoretical framework developed for malaria by Ross and Macdonald, including models, metrics for measuring transmission, and theory of control that identifies key vulnerabilities in the transmission cycle. That framework, especially Macdonald's formula for R0 and its entomological derivative, vectorial capacity, are now used to study dynamics and design interventions for many mosquito-borne diseases. A systematic review of 388 models published between 1970 and 2010 found that the vast majority adopted the Ross-Macdonald assumption of homogeneous transmission in a well-mixed population. Studies comparing models and data question these assumptions and point to the capacity to model heterogeneous, focal transmission as the most important but relatively unexplored component in current theory. Fine-scale heterogeneity causes transmission dynamics to be nonlinear, and poses problems for modeling, epidemiology and measurement. Novel mathematical approaches show how heterogeneity arises from the biology and the landscape on which the processes of mosquito biting and pathogen transmission unfold. Emerging theory focuses attention on the ecological and social context for mosquito blood feeding, the movement of both hosts and mosquitoes, and the relevant spatial scales for measuring transmission and for modeling dynamics and control.

Recasting the theory of mosquito-borne pathogen transmission dynamics and control

PubMed Central

Smith, David L.; Perkins, T. Alex; Reiner, Robert C.; Barker, Christopher M.; Niu, Tianchan; Chaves, Luis Fernando; Ellis, Alicia M.; George, Dylan B.; Le Menach, Arnaud; Pulliam, Juliet R. C.; Bisanzio, Donal; Buckee, Caroline; Chiyaka, Christinah; Cummings, Derek A. T.; Garcia, Andres J.; Gatton, Michelle L.; Gething, Peter W.; Hartley, David M.; Johnston, Geoffrey; Klein, Eili Y.; Michael, Edwin; Lloyd, Alun L.; Pigott, David M.; Reisen, William K.; Ruktanonchai, Nick; Singh, Brajendra K.; Stoller, Jeremy; Tatem, Andrew J.; Kitron, Uriel; Godfray, H. Charles J.; Cohen, Justin M.; Hay, Simon I.; Scott, Thomas W.

2014-01-01

Mosquito-borne diseases pose some of the greatest challenges in public health, especially in tropical and sub-tropical regions of the world. Efforts to control these diseases have been underpinned by a theoretical framework developed for malaria by Ross and Macdonald, including models, metrics for measuring transmission, and theory of control that identifies key vulnerabilities in the transmission cycle. That framework, especially Macdonald's formula for R0 and its entomological derivative, vectorial capacity, are now used to study dynamics and design interventions for many mosquito-borne diseases. A systematic review of 388 models published between 1970 and 2010 found that the vast majority adopted the Ross–Macdonald assumption of homogeneous transmission in a well-mixed population. Studies comparing models and data question these assumptions and point to the capacity to model heterogeneous, focal transmission as the most important but relatively unexplored component in current theory. Fine-scale heterogeneity causes transmission dynamics to be nonlinear, and poses problems for modeling, epidemiology and measurement. Novel mathematical approaches show how heterogeneity arises from the biology and the landscape on which the processes of mosquito biting and pathogen transmission unfold. Emerging theory focuses attention on the ecological and social context for mosquito blood feeding, the movement of both hosts and mosquitoes, and the relevant spatial scales for measuring transmission and for modeling dynamics and control. PMID:24591453

Energy conserving, linear scaling Born-Oppenheimer molecular dynamics.

PubMed

Cawkwell, M J; Niklasson, Anders M N

2012-10-07

Born-Oppenheimer molecular dynamics simulations with long-term conservation of the total energy and a computational cost that scales linearly with system size have been obtained simultaneously. Linear scaling with a low pre-factor is achieved using density matrix purification with sparse matrix algebra and a numerical threshold on matrix elements. The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] yields microcanonical trajectories with the approximate forces obtained from the linear scaling method that exhibit no systematic drift over hundreds of picoseconds and which are indistinguishable from trajectories computed using exact forces.

Psychological growth and well-being in individuals born with cleft: An application of self-determination theory.

PubMed

Searle, Aidan; Neville, Patricia; Waylen, Andrea

2017-04-01

Many studies of individuals born with cleft lip and/or palate (CLP) address the psychological impact of CLP in terms of stigma and/or 'resilience'. The present study challenges the usefulness of resilience in CLP research with the application of self-determination theory (SDT). It is proposed that SDT can serve to better understand how individuals born with CLP can achieve psychological growth and well-being. Interviews were conducted with 15 individuals born with CLP in the UK. A thematic analysis was conducted and four main themes emerged: (1) personal challenges, (2) support and strategies for social interaction, (3) experience of treatment and outcomes, and (4) personal development. The thematic analysis and the interpretation in the context of SDT leads to a greater understanding of the development of psychological growth and well-being in individuals born with CLP. Interpreting the life experiences of individuals with CLP through the theoretical lens of SDT allows the conceptualisation of individuals with CLP as a positive psychological resource when faced with the exclusionary practice of stigma. This resourcefulness is primarily nurtured by a supportive family and social environment that leads to the development of positive psychological growth and well-being. A new direction in CLP research is proposed that seeks to inform and implement change in professional practice to support individuals with CLP and their families.

Laboratory Investigation of Space and Planetary Dust Grains

NASA Technical Reports Server (NTRS)

Spann, James

2005-01-01

Dust in space is ubiquitous and impacts diverse observed phenomena in various ways. Understanding the dominant mechanisms that control dust grain properties and its impact on surrounding environments is basic to improving our understanding observed processes at work in space. There is a substantial body of work on the theory and modeling of dust in space and dusty plasmas. To substantiate and validate theory and models, laboratory investigations and space borne observations have been conducted. Laboratory investigations are largely confined to an assembly of dust grains immersed in a plasma environment. Frequently the behaviors of these complex dusty plasmas in the laboratory have raised more questions than verified theories. Space borne observations have helped us characterize planetary environments. The complex behavior of dust grains in space indicates the need to understand the microphysics of individual grains immersed in a plasma or space environment.

A Controlled Trial of a Novel Primary Prevention Program for Lyme Disease and Other Tick-Borne Illnesses

ERIC Educational Resources Information Center

Daltroy, Lawren H.; Phillips, Charlotte; Lew, Robert; Wright, Elizabeth; Shadick, Nancy A.; Liang, Matthew H.

2007-01-01

To evaluate a theory-based educational program to prevent Lyme disease and other tick-borne illnesses (TBI), a randomized controlled trial of an educational program was delivered to ferry passengers traveling to an endemic area in southeastern Massachusetts. Rates of TBI and precautionary and tick check behaviors were measured over three summers…

Far infrared filters for a rocket-borne radiometer.

PubMed

Romero, H V; Gursky, J; Blair, A G

1972-04-01

Low pass far infrared radiation filters with cutoff frequencies in the spectral region of 10-25 cm(-1) were required for a rocket-borne radiometer experiment. The paper describes the theory, fabrication, and laboratory transmission measurements of prototype grid filters investigated in a study prior to the construction of flight filters. Characteristics of the final flight filters are also presented.

I Think Immigrants "Kind of Fall into Two Camps": Boundary Work by U.S.-Born Community Members in St. Louis, Missouri

ERIC Educational Resources Information Center

Dorner, Lisa M.; Crawford, Emily R.; Jennings, Joel; Sandoval, J. S. Onésimo; Hager, Emily

2017-01-01

To understand how educational policies are created and supported for immigrants and their children, we must explore how community members make sense of broader immigrant/immigration discourses. Guided by theories of "boundary work," grounded analyses of 27 interviews with U.S.-born residents in metropolitan St. Louis (a community with…

A Stochastic Tick-Borne Disease Model: Exploring the Probability of Pathogen Persistence.

PubMed

Maliyoni, Milliward; Chirove, Faraimunashe; Gaff, Holly D; Govinder, Keshlan S

2017-09-01

We formulate and analyse a stochastic epidemic model for the transmission dynamics of a tick-borne disease in a single population using a continuous-time Markov chain approach. The stochastic model is based on an existing deterministic metapopulation tick-borne disease model. We compare the disease dynamics of the deterministic and stochastic models in order to determine the effect of randomness in tick-borne disease dynamics. The probability of disease extinction and that of a major outbreak are computed and approximated using the multitype Galton-Watson branching process and numerical simulations, respectively. Analytical and numerical results show some significant differences in model predictions between the stochastic and deterministic models. In particular, we find that a disease outbreak is more likely if the disease is introduced by infected deer as opposed to infected ticks. These insights demonstrate the importance of host movement in the expansion of tick-borne diseases into new geographic areas.

Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics

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

Martínez, Enrique; Cawkwell, Marc J.; Voter, Arthur F.

Here, Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached atmore » each time step. Lastly, the thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.« less

Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics

DOE PAGES

Martínez, Enrique; Cawkwell, Marc J.; Voter, Arthur F.; ...

2015-04-21

Here, Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached atmore » each time step. Lastly, the thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.« less

BIonic system: Extraction of Lovelock gravity from a Born-Infeld-type theory

NASA Astrophysics Data System (ADS)

Naimi, Yaghoob; Sepehri, Alireza; Ghaffary, Tooraj; Ghaforyan, Hossein; Ebrahimzadeh, Majid

It was shown that both Lovelock gravity and Born-Infeld (BI) electrodynamics can be obtained from low effective limit of string theory. Motivated by the mentioned unique origin of the gauge-gravity theories, we are going to find a close relation between them. In this research, we start from the Lagrangian of a BI-type nonlinear electrodynamics with an exponential form to extract the action of Lovelock gravity. We investigate the origin of Lovelock gravity in a system of branes which are connected with each other by different wormholes through a BIonic system. These wormholes are produced as due to the nonlinear electrodynamics which are emerged on the interacting branes. By approaching branes, wormholes dissolve into branes and Lovelock gravity is generated. Also, throats of some wormholes become smaller than their horizons and they transit to black holes. Generalizing calculations to M-theory, it is found that by compacting Mp-branes, Lovelock gravity changes to nonlinear electrodynamics and thus both of them have the same origin. This result is consistent with the prediction of BIonic model in string theory.

Phenomenological Study of Interaction between Solar Acoustic Waves and Sunspots from Measured Scattered Wavefunctions

NASA Astrophysics Data System (ADS)

Yang, Ming-Hsu; Chou, Dean-Yi; Zhao, Hui; Liang, Zhi-Chao

2012-08-01

The solar acoustic waves around a sunspot are modified because of the interaction with the sunspot. The interaction can be viewed as that the sunspot, excited by the incident wave, generates the scattered wave, and the scattered wave is added to the incident wave to form the total wave around the sunspot. We define an interaction parameter, which could be complex, describing the interaction between the acoustic waves and the sunspot. The scattered wavefunction on the surface can be expressed as a two-dimensional integral of the product of the Green's function, the wavefunction, and the two-dimensional interaction parameter over the sunspot area for the Born approximation of different orders. We assume a simple model for the two-dimensional interaction parameter distribution: its absolute value is axisymmetric with a Gaussian distribution and its phase is a constant. The measured scattered wavefunctions of various modes for NOAAs 11084 and 11092 are fitted to the theoretical scattered wavefunctions to determine the three model parameters, magnitude, Gaussian radius, and phase, for the Born approximation of different orders. The three model parameters converge to some values at high-order Born approximations. The result of the first-order Born approximation is significantly different from the convergent value in some cases. The rate of convergence depends on the sunspot size and wavelength. It converges more rapidly for the smaller sunspot and longer wavelength. The magnitude increases with mode frequency and degree for each radial order. The Gaussian radius is insensitive to frequency and degree. The spatial range of the interaction parameter is greater than that of the continuum intensity deficit, but smaller than that of the acoustic power deficit of the sunspot. The phase versus phase speed falls into a small range. This suggests that the phase could be a function phase speed. NOAAs 11084 and 11092 have a similar magnitude and phase, although the ratio of their sizes is 0.75.

CONSISTENCY AND THE FIFTH VIRIAL COEFFICIENT FOR A HARD-SPHERE GAS

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

Cole, G.H.A.

1962-03-15

The modified superposition approximation g(/sup 3/)(r,s,t) = g(.syo 2)(r/ sup 2/g(/sup 2/)(s)g(/sup 2/)(t)STAl + X/sub 1/n + X/sub 2/n/sup 2/!(where g/sup (3)/si the triplet distribution, g(/sup 2/) the pair distribution, n the number density, and (r,s,t) are the particle separation distances) is used in conjunction with the Born-Green-Yvon equation of the classical theory of fluids in the calculation of the fifth virial coefficient E for a gas of hard spheres. The values of E derived directly from the virial theorem and alternatively from compressibility arguments are reconciled through a suitable choice of X/sub 2/. On the assumption X/sub i/ =more » constant it is found for hard spheres that X/sub 1/ = 0.1014b and X/sub 2/ = -0.0424b/sub 2/ (b = four times a molecular volume) ensures consistency as far as the fifth virial coefficient. The consistent value of E under this approximation is +0.0242b/sup 4/. The validity of the arguments is considered. (auth)« less

Non-Born-Oppenheimer self-consistent field calculations with cubic scaling

NASA Astrophysics Data System (ADS)

Moncada, Félix; Posada, Edwin; Flores-Moreno, Roberto; Reyes, Andrés

2012-05-01

An efficient nuclear molecular orbital methodology is presented. This approach combines an auxiliary density functional theory for electrons (ADFT) and a localized Hartree product (LHP) representation for the nuclear wave function. A series of test calculations conducted on small molecules exposed that energy and geometry errors introduced by the use of ADFT and LHP approximations are small and comparable to those obtained by the use of electronic ADFT. In addition, sample calculations performed on (HF)n chains disclosed that the combined ADFT/LHP approach scales cubically with system size (n) as opposed to the quartic scaling of Hartree-Fock/LHP or DFT/LHP methods. Even for medium size molecules the improved scaling of the ADFT/LHP approach resulted in speedups of at least 5x with respect to Hartree-Fock/LHP calculations. The ADFT/LHP method opens up the possibility of studying nuclear quantum effects on large size systems that otherwise would be impractical.

Plasma-screening effects on the electron-impact excitation of hydrogenic ions in dense plasmas

NASA Technical Reports Server (NTRS)

Jung, Young-Dae

1993-01-01

Plasma-screening effects are investigated on electron-impact excitation of hydrogenic ions in dense plasmas. Scaled cross sections Z(exp 4) sigma for 1s yields 2s and 1s yields 2p are obtained for a Debye-Hueckel model of the screened Coulomb interaction. Ground and excited bound wave functions are modified in the screened Coulomb potential (Debye-Hueckel model) using the Ritz variation method. The resulting atomic wave functions and their eigenenergies agree well with the numerical and high-order perturbation theory calculations for the interesting domain of the Debye length not less than 10. The Born approximation is used to describe the continuum states of the projectile electron. Plasma screening effects on the atomic electrons cannot be neglected in the high-density cases. Including these effects, the cross sections are appreciably increased for 1s yields 2s transitions and decreased for 1s yields 2p transitions.

Electron-impact ionization cross sections out of the ground and 6P2 excited states of cesium

NASA Astrophysics Data System (ADS)

Łukomski, M.; Sutton, S.; Kedzierski, W.; Reddish, T. J.; Bartschat, K.; Bartlett, P. L.; Bray, I.; Stelbovics, A. T.; McConkey, J. W.

2006-09-01

An atom trapping technique for determining absolute, total ionization cross sections (TICS) out of an excited atom is presented. The unique feature of our method is in utilizing Doppler cooling of neutral atoms to determine ionization cross sections. This fluorescence-monitoring experiment, which is a variant of the “trap loss” technique, has enabled us to obtain the experimental electron impact ionization cross sections out of the Cs 6P3/22 state between 7eV and 400eV . CCC, RMPS, and Born theoretical results are also presented for both the ground and excited states of cesium and rubidium. In the low energy region (<11eV) where best agreement between these excited state measurements and theory might be expected, a discrepancy of approximately a factor of five is observed. Above this energy there are significant contributions to the TICS from both autoionization and multiple ionization.

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

Young, C.N.

The objectives of the SNAP-7D program were to design, manufacture, test and deliver a thirty-watt electric generating system for a modified U. S. Navy NOMAD-class weather buoy to be stationed in the Gulf of Mexico. The sixty-watt Sr/sup 90/ thermoelectric generator, the relay panel, the batteries, and the installation of the system in a boattype buoy are described. In addition to delivering the power supply, many tests were required for the SNAP-7D system to demonstrate its conformance to the contract statement of work. The electrical tests of the generator and of the system, the shock and vibration tests, and themore » tests at the environmental temperature extremes are discussed. (auth) Quantitative studies were made of the angular distribution of elastic and inelastic scattering of 25-kev electrons on noble gases, and the results were compared with scattering theory in the Born approximation. Results are presented in tables and graphs. (M.C.G.)« less

Lattice dynamical and dielectric properties of L-amino acids

NASA Astrophysics Data System (ADS)

Tulip, P. R.; Clark, S. J.

2006-08-01

We present the results of ab initio calculations of the lattice dynamical and dielectric properties of the L-amino acids L-alanine, L-leucine, and L-isoleucine. Normal-mode frequencies and dielectric permittivity tensors are obtained using density-functional perturbation theory implemented within the plane-wave pseudopotential approximation. IR spectra are calculated and are used to analyze the effects of intermolecular interactions and zwitterionization upon the lattice dynamics. It is found that vibronic modes associated with the carboxy and amino functional groups undergo modification from their free-molecule values due to the presence of hydrogen bonds. The role of macroscopic electric fields set up by zone-center normal modes in the lattice dynamics is investigated by analysis of the Born effective charge. Calculated permittivity tensors are found to be greater than would be obtained by a naive use of the isolated molecular values, indicating the role of intermolecular interactions in increasing molecular polarizability.

The Consequences of Unrealized Occupational Goals in the Transition to Adulthood

PubMed Central

Hardie, Jessica Halliday

2014-01-01

Do unmet occupational goals have negative consequences for well-being? Several social-psychological theories posit that aspirations become standards against which individuals judge themselves, thereby decreasing well-being when unmet. Yet other evidence points to young adults’ goal flexibility and resilience, suggesting unmet aspirations may not affect well-being. This paper tests these alternatives using data from the National Longitudinal Study of Youth 1979 (N=9,016) and the National Educational Longitudinal Study of 1988 (N=10,547) to examine whether the degree of match between adolescent occupational aspirations (NLSY) and expectations (NELS) and later attainment affect job satisfaction and depression. This paper also examines gender differences in the cost to unmet goals. Findings reveal a cost to falling short of one’s occupational goals, manifested in more depressive symptoms for men in the older cohort, and lower job satisfaction for both men and women across two cohorts born approximately 14 years apart. PMID:25131285

Controlling Thermodynamic Properties of Ferromagnetic Group-IV Graphene-Like Nanosheets by Dilute Charged Impurity

NASA Astrophysics Data System (ADS)

Yarmohammadi, Mohsen; Mirabbaszadeh, Kavoos

2017-05-01

Using the Kane-Mele Hamiltonian, Dirac theory and self-consistent Born approximation, we investigate the effect of dilute charged impurity on the electronic heat capacity and magnetic susceptibility of two-dimensional ferromagnetic honeycomb structure of group-IV elements including silicene, germanene and stanene within the Green’s function approach. We also find these quantities in the presence of applied external electric field. Our results show that the silicene (stanene) has the maximum (minimum) heat capacity and magnetic susceptibility at uniform electric fields. From the behavior of theses quantities, the band gap has been changed with impurity concentration, impurity scattering strength and electric field. The analysis on the impurity-dependent magnetic susceptibility curves shows a phase transition from ferromagnetic to paramagnetic and antiferromagnetic phases. Interestingly, electronic heat capacity increases (decreases) with impurity concentration in silicene (germanene and stanene) structure.

Bluues: a program for the analysis of the electrostatic properties of proteins based on generalized Born radii

PubMed Central

2012-01-01

Background The Poisson-Boltzmann (PB) equation and its linear approximation have been widely used to describe biomolecular electrostatics. Generalized Born (GB) models offer a convenient computational approximation for the more fundamental approach based on the Poisson-Boltzmann equation, and allows estimation of pairwise contributions to electrostatic effects in the molecular context. Results We have implemented in a single program most common analyses of the electrostatic properties of proteins. The program first computes generalized Born radii, via a surface integral and then it uses generalized Born radii (using a finite radius test particle) to perform electrostic analyses. In particular the ouput of the program entails, depending on user's requirement: 1) the generalized Born radius of each atom; 2) the electrostatic solvation free energy; 3) the electrostatic forces on each atom (currently in a dvelopmental stage); 4) the pH-dependent properties (total charge and pH-dependent free energy of folding in the pH range -2 to 18; 5) the pKa of all ionizable groups; 6) the electrostatic potential at the surface of the molecule; 7) the electrostatic potential in a volume surrounding the molecule; Conclusions Although at the expense of limited flexibility the program provides most common analyses with requirement of a single input file in PQR format. The results obtained are comparable to those obtained using state-of-the-art Poisson-Boltzmann solvers. A Linux executable with example input and output files is provided as supplementary material. PMID:22536964

Interpretation of ES, CS, and IOS approximations within a translational--internal coupling scheme. IV. ES and IOS molecule--molecule cross sections

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

Snider, R.F.; Parvatiyar, M.G.

1981-05-15

Properties of energy sudden and infinite order sudden translational--internal reduced S matrices are given for general molecule--molecule collisions. Formal similarities with the distorted wave Born approximation are discussed. Structural simplifications of energy dependent and kinetic cross sections associated with making the ES approximation are described. Conceptual difficulties associated with applying the ES and IOS approximations to kinetic processes dominated by energetically inelastic collisions are pointed out.

Birth Order and Injury-Related Infant Mortality in the U.S.

PubMed

Ahrens, Katherine A; Rossen, Lauren M; Thoma, Marie E; Warner, Margaret; Simon, Alan E

2017-10-01

The purpose of this study was to evaluate the risk of death during the first year of life due to injury, such as unintentional injury and homicide, by birth order in the U.S. Using national birth cohort-linked birth-infant death data (births, 2000-2010; deaths, 2000-2011), risks of infant mortality due to injury in second-, third-, fourth-, and fifth or later-born singleton infants were compared with first-born singleton infants. Risk ratios were estimated using log-binomial models adjusted for maternal age, marital status, race/ethnicity, and education. The statistical analyses were conducted in 2016. Approximately 40%, 32%, 16%, 7%, and 4% of singleton live births were first, second, third, fourth, and fifth or later born, respectively. From 2000 to 2011, a total of 15,866 infants died as a result of injury (approximately 1,442 deaths per year). Compared with first-born infants (2.9 deaths per 10,000 live births), second or later-born infants were at increased risk of infant mortality due to injury (second, 3.6 deaths; third, 4.2 deaths; fourth, 4.8 deaths; fifth or later, 6.4 deaths). The corresponding adjusted risk ratios were as follows: second, 1.84 (95% CI=1.76, 1.91); third, 2.42 (95% CI=2.30, 2.54); fourth, 2.96 (95% CI=2.77, 3.16); and fifth or later, 4.26 (95% CI=3.96, 4.57). Singleton infants born second or later were at increased risk of mortality due to injury during their first year of life in the U.S. This study's findings highlight the importance of investigating underlying mechanisms behind this increased risk. Published by Elsevier Inc.

Trajectory-based nonadiabatic dynamics with time-dependent density functional theory.

PubMed

Curchod, Basile F E; Rothlisberger, Ursula; Tavernelli, Ivano

2013-05-10

Understanding the fate of an electronically excited molecule constitutes an important task for theoretical chemistry, and practical implications range from the interpretation of atto- and femtosecond spectroscopy to the development of light-driven molecular machines, the control of photochemical reactions, and the possibility of capturing sunlight energy. However, many challenging conceptual and technical problems are involved in the description of these phenomena such as 1) the failure of the well-known Born-Oppenheimer approximation; 2) the need for accurate electronic properties such as potential energy surfaces, excited nuclear forces, or nonadiabatic coupling terms; and 3) the necessity of describing the dynamics of the photoexcited nuclear wavepacket. This review provides an overview of the current methods to address points 1) and 3) and shows how time-dependent density functional theory (TDDFT) and its linear-response extension can be used for point 2). First, the derivation of Ehrenfest dynamics and nonadiabatic Bohmian dynamics is discussed and linked to Tully's trajectory surface hopping. Second, the coupling of these trajectory-based nonadiabatic schemes with TDDFT is described in detail with special emphasis on the derivation of the required electronic structure properties. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Non-Adiabatic Molecular Dynamics Methods for Materials Discovery

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

Furche, Filipp; Parker, Shane M.; Muuronen, Mikko J.

2017-04-04

The flow of radiative energy in light-driven materials such as photosensitizer dyes or photocatalysts is governed by non-adiabatic transitions between electronic states and cannot be described within the Born-Oppenheimer approximation commonly used in electronic structure theory. The non-adiabatic molecular dynamics (NAMD) methods based on Tully surface hopping and time-dependent density functional theory developed in this project have greatly extended the range of molecular materials that can be tackled by NAMD simulations. New algorithms to compute molecular excited state and response properties efficiently were developed. Fundamental limitations of common non-linear response methods were discovered and characterized. Methods for accurate computations ofmore » vibronic spectra of materials such as black absorbers were developed and applied. It was shown that open-shell TDDFT methods capture bond breaking in NAMD simulations, a longstanding challenge for single-reference molecular dynamics simulations. The methods developed in this project were applied to study the photodissociation of acetaldehyde and revealed that non-adiabatic effects are experimentally observable in fragment kinetic energy distributions. Finally, the project enabled the first detailed NAMD simulations of photocatalytic water oxidation by titania nanoclusters, uncovering the mechanism of this fundamentally important reaction for fuel generation and storage.« less

Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory

DOE PAGES

Weck, Philippe F.; Kim, Eunja; Tikare, Veena; ...

2015-10-13

Here, the elastic properties and mechanical stability of zirconium alloys and zirconium hydrides have been investigated within the framework of density functional perturbation theory. Results show that the lowest-energy cubic Pn-3m with combining macron]m polymorph of δ-ZrH 1.5 does not satisfy all the Born requirements for mechanical stability, unlike its nearly degenerate tetragonal P4 2/ mcm polymorph. Elastic moduli predicted with the Voigt–Reuss–Hill approximations suggest that mechanical stability of α-Zr, Zr-alloy and Zr-hydride polycrystalline aggregates is limited by the shear modulus. According to both Pugh's and Poisson's ratios, α-Zr, Zr-alloy and Zr-hydride polycrystalline aggregates can be considered ductile. The Debyemore » temperatures predicted for γ-ZrH, δ-ZrH 1.5 and ε-ZrH 2 are θ D = 299.7, 415.6 and 356.9 K, respectively, while θ D = 273.6, 284.2, 264.1 and 257.1 K for the α-Zr, Zry-4, ZIRLO and M5 matrices, i.e. suggesting that Zry-4 possesses the highest micro-hardness among Zr matrices.« less

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

DOE PAGES

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

2017-07-26

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

Dissociation energies of six NO2 isotopologues by laser induced fluorescence spectroscopy and zero point energy of some triatomic molecules.

PubMed

Michalski, G; Jost, R; Sugny, D; Joyeux, M; Thiemens, M

2004-10-15

We have measured the rotationless photodissociation threshold of six isotopologues of NO2 containing 14N, 15N, 16O, and 18O isotopes using laser induced fluorescence detection and jet cooled NO2 (to avoid rotational congestion). For each isotopologue, the spectrum is very dense below the dissociation energy while fluorescence disappears abruptly above it. The six dissociation energies ranged from 25 128.56 cm(-1) for 14N16O2 to 25 171.80 cm(-1) for 15N18O2. The zero point energy for the NO2 isotopologues was determined from experimental vibrational energies, application of the Dunham expansion, and from canonical perturbation theory using several potential energy surfaces. Using the experimentally determined dissociation energies and the calculated zero point energies of the parent NO2 isotopologue and of the NO product(s) we determined that there is a common De = 26 051.17+/-0.70 cm(-1) using the Born-Oppenheimer approximation. The canonical perturbation theory was then used to calculate the zero point energy of all stable isotopologues of SO2, CO2, and O3, which are compared with previous determinations.

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

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

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

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

Mathematical model for Dengue with three states of infection

NASA Astrophysics Data System (ADS)

Hincapie, Doracelly; Ospina, Juan

2012-06-01

A mathematical model for dengue with three states of infection is proposed and analyzed. The model consists in a system of differential equations. The three states of infection are respectively asymptomatic, partially asymptomatic and fully asymptomatic. The model is analyzed using computer algebra software, specifically Maple, and the corresponding basic reproductive number and the epidemic threshold are computed. The resulting basic reproductive number is an algebraic synthesis of all epidemic parameters and it makes clear the possible control measures. The microscopic structure of the epidemic parameters is established using the quantum theory of the interactions between the atoms and radiation. In such approximation, the human individual is represented by an atom and the mosquitoes are represented by radiation. The force of infection from the mosquitoes to the humans is considered as the transition probability from the fundamental state of atom to excited states. The combination of computer algebra software and quantum theory provides a very complete formula for the basic reproductive number and the possible control measures tending to stop the propagation of the disease. It is claimed that such result may be important in military medicine and the proposed method can be applied to other vector-borne diseases.

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

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

Testing approximate theories of first-order phase transitions on the two-dimensional Potts model

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

Dasgupta, C.; Pandit, R.

The two-dimensional, q-state (q > 4) Potts model is used as a testing ground for approximate theories of first-order phase transitions. In particular, the predictions of a theory analogous to the Ramakrishnan-Yussouff theory of freezing are compared with those of ordinary mean-field (Curie-Wiess) theory. It is found that the Curie-Weiss theory is a better approximation than the Ramakrishnan-Yussouff theory, even though the former neglects all fluctuations. It is shown that the Ramakrishnan-Yussouff theory overestimates the effects of fluctuations in this system. The reasons behind the failure of the Ramakrishnan-Yussouff approximation and the suitability of using the two-dimensional Potts model asmore » a testing ground for these theories are discussed.« less

Strong-potential Born calculations for electron capture

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

McGuire, J.H.; Sil, N.C.

1983-12-01

A closed-form expression for 1s-1s electron capture has been developed in the strong-potential Born (SPB) approximation. Terms of the order (Z/sub p//v)/sup 2/ are ignored in our expression, where Z/sub p/ is the charge of the projectile and v is the collision velocity. Our errors of order (Z/sub p//v)/sup 2/ are within the accuracy of the SPB approximation itself, which is valid to first order in the projectile-electron interaction V/sub p/ (and all orders in the stronger target potential V/sub T/). Calculations using our expression are in better agreement with experimental observations of the shape of the Thomas peak thanmore » are other calculations.« less

Electromagnetic backscattering from a random distribution of lossy dielectric scatterers

NASA Technical Reports Server (NTRS)

Lang, R. H.

1980-01-01

Electromagnetic backscattering from a sparse distribution of discrete lossy dielectric scatterers occupying a region 5 was studied. The scatterers are assumed to have random position and orientation. Scattered fields are calculated by first finding the mean field and then by using it to define an equivalent medium within the volume 5. The scatterers are then viewed as being embedded in the equivalent medium; the distorted Born approximation is then used to find the scattered fields. This technique represents an improvement over the standard Born approximation since it takes into account the attenuation of the incident and scattered waves in the equivalent medium. The method is used to model a leaf canopy when the leaves are modeled by lossy dielectric discs.

FAST TRACK COMMUNICATION: Born-Infeld extension of new massive gravity

NASA Astrophysics Data System (ADS)

Güllü, İbrahim; Çaǧri Şişman, Tahsin; Tekin, Bayram

2010-08-01

We present a three-dimensional gravitational Born-Infeld theory which reduces to the recently found new massive gravity (NMG) at the quadratic level in the small curvature expansion and at the cubic order reproduces the deformation of NMG obtained from AdS/CFT. Our action provides a remarkable extension of NMG to all orders in the curvature and might define a consistent quantum gravity.

Gravitational field of global monopole within the Eddington-inspired Born-Infeld theory of gravity

NASA Astrophysics Data System (ADS)

Lambaga, Reyhan D.; Ramadhan, Handhika S.

2018-06-01

Within the framework of the recent Eddington-inspired Born-Infeld (EiBI) theory we study gravitational field around an SO(3) global monopole. The solution also suffers from the deficit solid angle as in the Barriola-Vilenkin metric but shows a distinct feature that cannot be transformed away unless in the vanishing EiBI coupling constant, κ . When seen as a black hole eating up a global monopole, the corresponding Schwarzschild horizon is shrunk by κ . The deficit solid angle makes the space is globally not Euclidean, and to first order in κ (weak-field limit) the deflection angle of light is smaller than its Barriola-Vilenkin counterpart.

Canonical-ensemble extended Lagrangian Born-Oppenheimer molecular dynamics for the linear scaling density functional theory.

PubMed

Hirakawa, Teruo; Suzuki, Teppei; Bowler, David R; Miyazaki, Tsuyoshi

2017-10-11

We discuss the development and implementation of a constant temperature (NVT) molecular dynamics scheme that combines the Nosé-Hoover chain thermostat with the extended Lagrangian Born-Oppenheimer molecular dynamics (BOMD) scheme, using a linear scaling density functional theory (DFT) approach. An integration scheme for this canonical-ensemble extended Lagrangian BOMD is developed and discussed in the context of the Liouville operator formulation. Linear scaling DFT canonical-ensemble extended Lagrangian BOMD simulations are tested on bulk silicon and silicon carbide systems to evaluate our integration scheme. The results show that the conserved quantity remains stable with no systematic drift even in the presence of the thermostat.

Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description

NASA Astrophysics Data System (ADS)

Bauer, Sebastian; Mathias, Gerald; Tavan, Paul

2014-03-01

We present a reaction field (RF) method which accurately solves the Poisson equation for proteins embedded in dielectric solvent continua at a computational effort comparable to that of an electrostatics calculation with polarizable molecular mechanics (MM) force fields. The method combines an approach originally suggested by Egwolf and Tavan [J. Chem. Phys. 118, 2039 (2003)] with concepts generalizing the Born solution [Z. Phys. 1, 45 (1920)] for a solvated ion. First, we derive an exact representation according to which the sources of the RF potential and energy are inducible atomic anti-polarization densities and atomic shielding charge distributions. Modeling these atomic densities by Gaussians leads to an approximate representation. Here, the strengths of the Gaussian shielding charge distributions are directly given in terms of the static partial charges as defined, e.g., by standard MM force fields for the various atom types, whereas the strengths of the Gaussian anti-polarization densities are calculated by a self-consistency iteration. The atomic volumes are also described by Gaussians. To account for covalently overlapping atoms, their effective volumes are calculated by another self-consistency procedure, which guarantees that the dielectric function ɛ(r) is close to one everywhere inside the protein. The Gaussian widths σi of the atoms i are parameters of the RF approximation. The remarkable accuracy of the method is demonstrated by comparison with Kirkwood's analytical solution for a spherical protein [J. Chem. Phys. 2, 351 (1934)] and with computationally expensive grid-based numerical solutions for simple model systems in dielectric continua including a di-peptide (Ac-Ala-NHMe) as modeled by a standard MM force field. The latter example shows how weakly the RF conformational free energy landscape depends on the parameters σi. A summarizing discussion highlights the achievements of the new theory and of its approximate solution particularly by comparison with so-called generalized Born methods. A follow-up paper describes how the method enables Hamiltonian, efficient, and accurate MM molecular dynamics simulations of proteins in dielectric solvent continua.

Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description.

PubMed

Bauer, Sebastian; Mathias, Gerald; Tavan, Paul

2014-03-14

We present a reaction field (RF) method which accurately solves the Poisson equation for proteins embedded in dielectric solvent continua at a computational effort comparable to that of an electrostatics calculation with polarizable molecular mechanics (MM) force fields. The method combines an approach originally suggested by Egwolf and Tavan [J. Chem. Phys. 118, 2039 (2003)] with concepts generalizing the Born solution [Z. Phys. 1, 45 (1920)] for a solvated ion. First, we derive an exact representation according to which the sources of the RF potential and energy are inducible atomic anti-polarization densities and atomic shielding charge distributions. Modeling these atomic densities by Gaussians leads to an approximate representation. Here, the strengths of the Gaussian shielding charge distributions are directly given in terms of the static partial charges as defined, e.g., by standard MM force fields for the various atom types, whereas the strengths of the Gaussian anti-polarization densities are calculated by a self-consistency iteration. The atomic volumes are also described by Gaussians. To account for covalently overlapping atoms, their effective volumes are calculated by another self-consistency procedure, which guarantees that the dielectric function ε(r) is close to one everywhere inside the protein. The Gaussian widths σ(i) of the atoms i are parameters of the RF approximation. The remarkable accuracy of the method is demonstrated by comparison with Kirkwood's analytical solution for a spherical protein [J. Chem. Phys. 2, 351 (1934)] and with computationally expensive grid-based numerical solutions for simple model systems in dielectric continua including a di-peptide (Ac-Ala-NHMe) as modeled by a standard MM force field. The latter example shows how weakly the RF conformational free energy landscape depends on the parameters σ(i). A summarizing discussion highlights the achievements of the new theory and of its approximate solution particularly by comparison with so-called generalized Born methods. A follow-up paper describes how the method enables Hamiltonian, efficient, and accurate MM molecular dynamics simulations of proteins in dielectric solvent continua.

Advancing institutional anomie theory: a microlevel examination connecting culture, institutions, and deviance.

PubMed

Muftić, Lisa R

2006-12-01

Institutional anomie theory (IAT) contends that crime can be explained by an examination of American society, particularly the exaggerated emphasis on economic success inherent in American culture, which has created a "cheating orientation" that permeates structural institutions, including academia. Consistent with its macrosocial perspective, previous tests of IAT have examined IAT variables at the structural level only. The current study tests the robustness of IAT by operationalizing IAT variables at the individual level and looking at a minor form of deviance, student cheating. The author also examines the role statistical modeling has in testing the theory at the microlevel. Undergraduates, 122 American born and 48 international, were surveyed about their cheating behaviors and adherence to economic goal orientations. Results related to the hypothesis that American students, relative to foreign-born students, will have an increased adherence to economic goal orientations that increase cheating behaviors are presented, as are suggestions for future studies.

BORN CROSS SECTIONS FOR INELASTIC SCATTERING OF ELECTRONS BY HYDROGEN ATOMS. III. 5s, 5p, 5d, 5f, 5g STATES

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

Milford, S.N.; Morrissey, J.J.; Scanlon, J.H.

1960-12-01

Born total cross sections were computed for the strong optically allowed transitions from n = 5 to n' = 6, at incident energies between 0.2 and 1361 ev. Thirty energy values were considered for the 5s to 6p and 5g to 6h cases, and nine for the other transitions. The cross sections obtained were larger than those of comparable transitions for lower n. The Bethe (dipole) approximation was also used, and was found to give good agreement with the Born results down to relatively low energies ( approx equal 3 ev). (auth)

Three-dimensional imaging of buried objects in very lossy earth by inversion of VETEM data

USGS Publications Warehouse

Cui, T.J.; Aydiner, A.A.; Chew, W.C.; Wright, D.L.; Smith, D.V.

2003-01-01

The very early time electromagnetic system (VETEM) is an efficient tool for the detection of buried objects in very lossy earth, which allows a deeper penetration depth compared to the ground-penetrating radar. In this paper, the inversion of VETEM data is investigated using three-dimensional (3-D) inverse scattering techniques, where multiple frequencies are applied in the frequency range from 0-5 MHz. For small and moderately sized problems, the Born approximation and/or the Born iterative method have been used with the aid of the singular value decomposition and/or the conjugate gradient method in solving the linearized integral equations. For large-scale problems, a localized 3-D inversion method based on the Born approximation has been proposed for the inversion of VETEM data over a large measurement domain. Ways to process and to calibrate the experimental VETEM data are discussed to capture the real physics of buried objects. Reconstruction examples using synthesized VETEM data and real-world VETEM data are given to test the validity and efficiency of the proposed approach.

Towards a complete North American Anabaptist Genealogy II: analysis of inbreeding.

PubMed

Agarwala, R; Schäffer, A A; Tomlin, J F

2001-08-01

We describe a large genealogy data base, which can be searched by computer, of 295,095 Amish and Mennonite individuals. The data base was constructed by merging our existing Anabaptist Genealogy Database 2.0 containing approximately 85,000 individuals with a genealogy file containing approximately 242,000 individuals, kindly provided by Mr. James Hostetler. The merging process corrected thousands of inconsistencies and eliminated hundreds of duplicate individuals. Geneticists have long been interested in Anabaptist populations because they are closed and have detailed written genealogies. The creation of an enlarged and unified data base affords the opportunity to examine inbreeding trends and correlates in these populations. We show the following results. The frequency of consanguineous marriages shows steady increase over time and reached approximately 85% for individuals born in 1940-1959. Among consanguineous marriages, the median kinship coefficient stayed stable in the 19th century, but rose from 0.0115 to 0.0151 in the 20th century. There are statistically significant associations (p < 0.0001) between inbreeding and family size and interbirth intervals in the 20th century. There is an association (p < 0.0005) between inbreeding and early death for individuals born in 1920-1959. However, this association reverses dramatically (p < 0.0005 in the opposite direction) for individuals born in 1960-1979. We tested for an association between inbreeding and being the mother of twins, but found none.

Effects of a finite aperture on the Inverse Born Approximation

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

Kogan, V.G.; Rose, J.H.

1983-01-01

One of the most important effects of complex part geometry is that the available entrance and exit angles for ultrasound are limited. We will present a study of the Inverse Born approximation in which we have data for incident (and exit) directions confined to a conical aperture. Modeling the direct problem by the Born Approximation, we obtained analytical results for (1) a weak spherical inclusion, and (2) a penny shaped crack (modeled by an oblate spheroid). General results are: (a) the value of the characteristic function ..gamma.. is constant in the interior of the flaw, but reduced in value; (b)more » the discontinuity at the boundary of the flaw occurs over the lighted portion of the flaw; (c) this discontinuity is contrasted by a region where ..gamma.. is negative; and (d) new non-physical discontinuities and non-analyticities appear in the reconstructed characteristic function. These general features also appear in numerical calculations which use as input strong scattering data from a spherical void and a flat penny shaped crack in Titanium. The numerical results can be straightforwardly interpreted in terms of the analytical calculation mentioned above, indicating that they will be useful in the study of realistic flaws. We conclude by discussing the stabilization of the aperture limited inversion problem and the removal of non-physical features in the reconstruction.« less

Does really Born Oppenheimer approximation break down in charge transfer processes? An exactly solvable model

NASA Astrophysics Data System (ADS)

Kuznetsov, Alexander M.; Medvedev, Igor G.

2006-05-01

Effects of deviation from the Born-Oppenheimer approximation (BOA) on the non-adiabatic transition probability for the transfer of a quantum particle in condensed media are studied within an exactly solvable model. The particle and the medium are modeled by a set of harmonic oscillators. The dynamic interaction of the particle with a single local mode is treated explicitly without the use of BOA. Two particular situations (symmetric and non-symmetric systems) are considered. It is shown that the difference between the exact solution and the true BOA is negligibly small at realistic parameters of the model. However, the exact results differ considerably from those of the crude Condon approximation (CCA) which is usually considered in the literature as a reference point for BOA (Marcus-Hush-Dogonadze formula). It is shown that the exact rate constant can be smaller (symmetric system) or larger (non-symmetric one) than that obtained in CCA. The non-Condon effects are also studied.

Fully differential cross sections for the single ionization of helium by fast ions: Classical model calculations

NASA Astrophysics Data System (ADS)

Sarkadi, L.

2018-04-01

Fully differential cross sections (FDCSs) have been calculated for the single ionization of helium by 1- and 3-MeV proton and 100-MeV/u C6 + ion impact using the classical trajectory Monte Carlo (CTMC) method in the nonrelativistic, three-body approximation. The calculations were made employing a Wigner-type model in which the quantum-mechanical position distribution of the electron is approximated by a weighted integral of the microcanonical distribution over a range of the binding energy of the electron. In the scattering plane, the model satisfactorily reproduces the observed shape of the binary peak. In the region of the peak the calculated FDCSs agree well with the results of continuum-distorted-wave calculations for all the investigated collisions. For 1-MeV proton impact the experimentally observed shift of the binary peak with respect to the first Born approximation is compared with the shifts obtained by different higher-order quantum-mechanical theories and the present CTMC method. The best result was achieved by CTMC, but still a large part of the shift remained unexplained. Furthermore, it was found that the classical theory failed to reproduce the shape of the recoil peak observed in the experiments, it predicts a much narrower peak. This indicates that the formation of the recoil peak is dominated by quantum-mechanical effects. For 100-MeV/u C6 + ion impact the present CTMC calculations confirmed the existence of the "double-peak" structure of the angular distribution of the electron in the plane perpendicular to the momentum transfer, in accordance with the observation, the prediction of an incoherent semiclassical model, and previous CTMC results. This finding together with wave-packet calculations suggests that the "C6 + puzzle" may be solved by considering the loss of the projectile coherence. Experiments to be conducted using ion beams of anisotropic coherence are proposed for a more differential investigation of the ionization dynamics.

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

DOE R&D Accomplishments Database

Tang, K. T.; Karplus, M.

1970-10-01

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

Electron wavepacket dynamics in highly quasi-degenerate coupled electronic states: a theory for chemistry where the notion of adiabatic potential energy surface loses the sense.

PubMed

Yonehara, Takehiro; Takatsuka, Kazuo

2012-12-14

We develop a theory and the method of its application for chemical dynamics in systems, in which the adiabatic potential energy hyper-surfaces (PES) are densely quasi-degenerate to each other in a wide range of molecular geometry. Such adiabatic electronic states tend to couple each other through strong nonadiabatic interactions. Technically, therefore, it is often extremely hard to accurately single out the individual PES in those systems. Moreover, due to the mutual nonadiabatic couplings that may spread wide in space and due to the energy-time uncertainty relation, the notion of the isolated and well-defined potential energy surface should lose the sense. On the other hand, such dense electronic states should offer a very interesting molecular field in which chemical reactions to proceed in characteristic manners. However, to treat these systems, the standard theoretical framework of chemical reaction dynamics, which starts from the Born-Oppenheimer approximation and ends up with quantum nuclear wavepacket dynamics, is not very useful. We here explore this problem with our developed nonadiabatic electron wavepacket theory, which we call the phase-space averaging and natural branching (PSANB) method [T. Yonehara and K. Takatsuka, J. Chem. Phys. 129, 134109 (2008)], or branching-path representation, in which the packets are propagated in time along the non-Born-Oppenheimer branching paths. In this paper, after outlining the basic theory, we examine using a one-dimensional model how well the PSANB method works with such densely quasi-degenerate nonadiabatic systems. To do so, we compare the performance of PSANB with the full quantum mechanical results and those given by the fewest switches surface hopping (FSSH) method, which is known to be one of the most reliable and flexible methods to date. It turns out that the PSANB electron wavepacket approach actually yields very good results with far fewer initial sampling paths. Then we apply the electron wavepacket dynamics in path-branching representation and the so-called semiclassical Ehrenfest theory to a hydrogen molecule embedded in twelve membered boron cluster (B(12)) in excited states, which are densely quasi-degenerate due to the vacancy in 2p orbitals of boron atom [1s(2)2s(2)2p(1)]. Bond dissociation of the hydrogen molecule quickly takes place in the cluster and the resultant hydrogen atoms are squeezed out to the surface of the cluster. We further study collision dynamics between H(2) and B(12), which also gives interesting phenomena. The present study suggests an interesting functionality of the boron clusters.

Theory of exciton transfer and diffusion in conjugated polymers

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

Barford, William, E-mail: william.barford@chem.ox.ac.uk; Tozer, Oliver Robert; University College, University of Oxford, Oxford OX1 4BH

We describe a theory of Förster-type exciton transfer between conjugated polymers. The theory is built on three assumptions. First, we assume that the low-lying excited states of conjugated polymers are Frenkel excitons coupled to local normal modes, and described by the Frenkel-Holstein model. Second, we assume that the relevant parameter regime is ℏω < J, i.e., the adiabatic regime, and thus the Born-Oppenheimer factorization of the electronic and nuclear degrees of freedom is generally applicable. Finally, we assume that the Condon approximation is valid, i.e., the exciton-polaron wavefunction is essentially independent of the normal modes. The resulting expression for themore » exciton transfer rate has a familiar form, being a function of the exciton transfer integral and the effective Franck-Condon factors. The effective Franck-Condon factors are functions of the effective Huang-Rhys parameters, which are inversely proportional to the chromophore size. The Born-Oppenheimer expressions were checked against DMRG calculations, and are found to be within 10% of the exact value for a tiny fraction of the computational cost. This theory of exciton transfer is then applied to model exciton migration in conformationally disordered poly(p-phenylene vinylene). Key to this modeling is the assumption that the donor and acceptor chromophores are defined by local exciton ground states (LEGSs). Since LEGSs are readily determined by the exciton center-of-mass wavefunction, this theory provides a quantitative link between polymer conformation and exciton migration. Our Monte Carlo simulations indicate that the exciton diffusion length depends weakly on the conformation of the polymer, with the diffusion length increasing slightly as the chromophores became straighter and longer. This is largely a geometrical effect: longer and straighter chromophores extend over larger distances. The calculated diffusion lengths of ∼10 nm are in good agreement with experiment. The spectral properties of the migrating excitons are also investigated. The emission intensity ratio of the 0-0 and 0-1 vibronic peaks is related to the effective Huang-Rhys parameter of the emitting state, which in turn is related to the chromophore size. The intensity ratios calculated from the effective Huang-Rhys parameters are in agreement with experimental spectra, and the time-resolved trend for the intensity ratio to decrease with time was also reproduced as the excitation migrates to shorter, lower energy chromophores as a function of time. In addition, the energy of the exciton state shows a logarithmic decrease with time, in agreement with experimental observations.« less

Theory of exciton transfer and diffusion in conjugated polymers.

PubMed

Barford, William; Tozer, Oliver Robert

2014-10-28

We describe a theory of Förster-type exciton transfer between conjugated polymers. The theory is built on three assumptions. First, we assume that the low-lying excited states of conjugated polymers are Frenkel excitons coupled to local normal modes, and described by the Frenkel-Holstein model. Second, we assume that the relevant parameter regime is ℏω < J, i.e., the adiabatic regime, and thus the Born-Oppenheimer factorization of the electronic and nuclear degrees of freedom is generally applicable. Finally, we assume that the Condon approximation is valid, i.e., the exciton-polaron wavefunction is essentially independent of the normal modes. The resulting expression for the exciton transfer rate has a familiar form, being a function of the exciton transfer integral and the effective Franck-Condon factors. The effective Franck-Condon factors are functions of the effective Huang-Rhys parameters, which are inversely proportional to the chromophore size. The Born-Oppenheimer expressions were checked against DMRG calculations, and are found to be within 10% of the exact value for a tiny fraction of the computational cost. This theory of exciton transfer is then applied to model exciton migration in conformationally disordered poly(p-phenylene vinylene). Key to this modeling is the assumption that the donor and acceptor chromophores are defined by local exciton ground states (LEGSs). Since LEGSs are readily determined by the exciton center-of-mass wavefunction, this theory provides a quantitative link between polymer conformation and exciton migration. Our Monte Carlo simulations indicate that the exciton diffusion length depends weakly on the conformation of the polymer, with the diffusion length increasing slightly as the chromophores became straighter and longer. This is largely a geometrical effect: longer and straighter chromophores extend over larger distances. The calculated diffusion lengths of ~10 nm are in good agreement with experiment. The spectral properties of the migrating excitons are also investigated. The emission intensity ratio of the 0-0 and 0-1 vibronic peaks is related to the effective Huang-Rhys parameter of the emitting state, which in turn is related to the chromophore size. The intensity ratios calculated from the effective Huang-Rhys parameters are in agreement with experimental spectra, and the time-resolved trend for the intensity ratio to decrease with time was also reproduced as the excitation migrates to shorter, lower energy chromophores as a function of time. In addition, the energy of the exciton state shows a logarithmic decrease with time, in agreement with experimental observations.

Corrections to the one-photon approximation in the 0+-->2+ transition of 12C

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

Paul Gueye; Madeleine Bernheim; J. F. Danel

2001-04-18

Contribution of higher order effects to the one-photon exchange approximation were studied in the first excited state of 12C by comparing inclusive inelastic scattering cross sections of electrons and positrons obtained at the Saclay Linear Accelerator. The data were compared to a distorted wave Born approximation (DWBA)calculation. The results indicate an effect less than 2% within 2sigma, compatible with what was observed in recent elastic scattering measurements.

The graviton luminosity of the sun and other stars

NASA Technical Reports Server (NTRS)

Gould, R. J.

1985-01-01

Graviton production in electron-electron (e-e) and electron-ion (e-z) scattering is evaluated in the Born approximation. The calculation is compared with that for photon production, that is, Coulomb quadrupole bremsstrahlung, and a number of results are taken over from that problem. Application is made to the sun, and it is found that for the solar plasma the main contribution to the graviton luminosity comes from the central core at r/R approximately 0.1. The total luminosity (Lg) in gravitons is about 7.9 x 10 to the 14th ergs/s, close to an earlier estimate by Weinberg (1965, 1972); about 33 percent of the total results from e-e collisions with the rest from e-z collisions (mainly e-p and e-alpha). Approximate corrections to Born formulas are evaluated, and this Lg includes the associated (approximately + or - 10 percent, respectively) modification. The quantum-mechanical aspects of the solar Lg problem are discussed, and it is shown why a previous classical calculation overestimated Lg by about an order of magnitude. Production of gravitons in binary collisions in other types of stars is discussed briefly. It is found that Lg varies very little along the main sequence. White dwarfs have a typical graviton luminosity LWD approximately 10 to the 19th ergs/s, while neutron stars have LNS approximately 10 to the 25th ergs/s; these estimates are very rough.

Postural Complexity Differs Between Infant Born Full Term and Preterm During the Development of Early Behaviors

PubMed Central

Dusing, Stacey C; Izzo, Theresa A.; Thacker, Leroy R.; Galloway, James C

2014-01-01

Background and Aims Postural control differs between infants born preterm and full term at 1–3 weeks of age. It is unclear if differences persist or alter the development of early behaviors. The aim of this longitudinal study was to compare changes in postural control variability during development of head control and reaching in infants born preterm and full term. Methods Eighteen infants born preterm (mean gestational age 28.3±3.1 weeks) were included in this study and compared to existing data from 22 infants born full term. Postural variability was assessed longitudinally using root mean squared displacement and approximate entropy of the center of pressure displacement from birth to 6 months as measures of the magnitude of the variability and complexity of postural control. Behavioral coding was used to quantify development of head control and reaching. Results Group differences were identified in postural complexity during the development of head control and reaching. Infants born preterm used more repetitive and less adaptive postural control strategies than infants born full term. Both groups changed their postural complexity utilized during the development of head control and reaching. Discussion Early postural complexity was decreased in infants born preterm, compared to infants born full term. Commonly used clinical assessments did not identify these early differences in postural control. Altered postural control in infants born preterm influenced ongoing skill development in the first six months of life. PMID:24485170

Genetic Characterization of the Tick-Borne Orbiviruses

PubMed Central

Belaganahalli, Manjunatha N.; Maan, Sushila; Maan, Narender S.; Brownlie, Joe; Tesh, Robert; Attoui, Houssam; Mertens, Peter P. C.

2015-01-01

The International Committee for Taxonomy of Viruses (ICTV) recognizes four species of tick-borne orbiviruses (TBOs): Chenuda virus, Chobar Gorge virus, Wad Medani virus and Great Island virus (genus Orbivirus, family Reoviridae). Nucleotide (nt) and amino acid (aa) sequence comparisons provide a basis for orbivirus detection and classification, however full genome sequence data were only available for the Great Island virus species. We report representative genome-sequences for the three other TBO species (virus isolates: Chenuda virus (CNUV); Chobar Gorge virus (CGV) and Wad Medani virus (WMV)). Phylogenetic comparisons show that TBOs cluster separately from insect-borne orbiviruses (IBOs). CNUV, CGV, WMV and GIV share low level aa/nt identities with other orbiviruses, in ‘conserved’ Pol, T2 and T13 proteins/genes, identifying them as four distinct virus-species. The TBO genome segment encoding cell attachment, outer capsid protein 1 (OC1), is approximately half the size of the equivalent segment from insect-borne orbiviruses, helping to explain why tick-borne orbiviruses have a ~1 kb smaller genome. PMID:25928203

Genetic characterization of the tick-borne orbiviruses.

PubMed

Belaganahalli, Manjunatha N; Maan, Sushila; Maan, Narender S; Brownlie, Joe; Tesh, Robert; Attoui, Houssam; Mertens, Peter P C

2015-04-28

The International Committee for Taxonomy of Viruses (ICTV) recognizes four species of tick-borne orbiviruses (TBOs): Chenuda virus, Chobar Gorge virus, Wad Medani virus and Great Island virus (genus Orbivirus, family Reoviridae). Nucleotide (nt) and amino acid (aa) sequence comparisons provide a basis for orbivirus detection and classification, however full genome sequence data were only available for the Great Island virus species. We report representative genome-sequences for the three other TBO species (virus isolates: Chenuda virus (CNUV); Chobar Gorge virus (CGV) and Wad Medani virus (WMV)). Phylogenetic comparisons show that TBOs cluster separately from insect-borne orbiviruses (IBOs). CNUV, CGV, WMV and GIV share low level aa/nt identities with other orbiviruses, in 'conserved' Pol, T2 and T13 proteins/genes, identifying them as four distinct virus-species. The TBO genome segment encoding cell attachment, outer capsid protein 1 (OC1), is approximately half the size of the equivalent segment from insect-borne orbiviruses, helping to explain why tick-borne orbiviruses have a ~1 kb smaller genome.

Elastic scattering of spin-polarized electrons and positrons from 23Na nuclei

NASA Astrophysics Data System (ADS)

Jakubassa-Amundsen, D. H.

2018-07-01

Differential cross sections and polarization correlations for the scattering of relativistic spin-polarized leptons from unpolarized ground-state sodium nuclei are calculated within the distorted-wave Born approximation (DWBA). Various nuclear ground-state charge distributions are probed. Besides potential scattering, also electric C2 and magnetic M1 and M3 transitions are taken into account. It is shown that even for a light nucleus such as 23Na there are considerable electron-positron differences at high collision energies and large scattering angles. In particular, the symmetry of the Sherman function with respect to a global sign change, as predicted by the second-order Born approximation when replacing electrons by positrons, is broken whenever the diffraction structures come into play beyond 100 MeV.

Born-Oppenheimer approximation for a singular system

NASA Astrophysics Data System (ADS)

Akbas, Haci; Turgut, O. Teoman

2018-01-01

We discuss a simple singular system in one dimension, two heavy particles interacting with a light particle via an attractive contact interaction and not interacting among themselves. It is natural to apply the Born-Oppenheimer approximation to this problem. We present a detailed discussion of this approach; the advantage of this simple model is that one can estimate the error terms self-consistently. Moreover, a Fock space approach to this problem is presented where an expansion can be proposed to get higher order corrections. A slight modification of the same problem in which the light particle is relativistic is discussed in a later section by neglecting pair creation processes. Here, the second quantized description is more challenging, but with some care, one can recover the first order expression exactly.

Coupled-Sturmian and perturbative treatments of electron transfer and ionization in high-energy p-He+ collisions

NASA Astrophysics Data System (ADS)

Winter, Thomas G.; Alston, Steven G.

1992-02-01

Cross sections have been determined for electron transfer and ionization in collisions between protons and He+ ions at proton energies from several hundred kilo-electron-volts to 2 MeV. A coupled-Sturmian approach is taken, extending the work of Winter [Phys. Rev. A 35, 3799 (1987)] and Stodden et al. [Phys. Rev. A 41, 1281 (1990)] to high energies where perturbative approaches are expected to be valid. An explicit connection is made with the first-order Born approximation for ionization and the impulse version of the distorted, strong-potential Born approximation for electron transfer. The capture cross section is shown to be affected by the presence of target basis functions of positive energy near v2/2, corresponding to the Thomas mechanism.

Calculation of the total electron excitation cross section in the Born approximation using Slater wave functions for the Li (2s yields 2p), Li (2s yields 3p), Na (3s yields 4p), Mg (3p yields 4s), Ca (4s yields 4p) and K (4s yields 4p) excitations. M.S. Thesis

NASA Technical Reports Server (NTRS)

Simsic, P. L.

1974-01-01

Excitation of neutral atoms by inelastic scattering of incident electrons in gaseous nebulae were investigated using Slater Wave functions to describe the initial and final states of the atom. Total cross sections using the Born Approximation are calculated for: Li(2s yields 2p), Na(3s yields 4p), k(4s yields 4p). The intensity of emitted radiation from gaseous nebulae is also calculated, and Maxwell distribution is employed to average the kinetic energy of electrons.

West nile virus and equine encephalitis viruses: new perspectives.

PubMed

Long, Maureen T

2014-12-01

Mosquito-borne diseases affect horses worldwide. Mosquito-borne diseases generally cause encephalomyelitis in the horse and can be difficult to diagnose antemortem. In addition to general disease, and diagnostic and treatment aspects, this review article summarizes the latest information on these diseases, covering approximately the past 5 years, with a focus on new equine disease encroachments, diagnostic and vaccination aspects, and possible therapeutics on the horizon. Copyright © 2014 Elsevier Inc. All rights reserved.

The Growing Gap: The Origin of "Theory & Research in Social Education"

ERIC Educational Resources Information Center

Binford, Paul E.; Eisworth, Seth

2013-01-01

This study focuses on a seminal moment in the history of the College and University Faculty Assembly (CUFA)--the founding of its voice, "Theory & Research in Social Education" ("TRSE"). This historical study uses archival documents to construct a narrative of the journal's origins. This publication was born during a…

Harry's Girls: Harry Potter and the Discourse of Gender

ERIC Educational Resources Information Center

Cherland, Meredith

2008-01-01

How do we become the people we are? Humanist common sense proposes that people are born with a rational "self." But poststructural theory proposes a subjectivity formed in interaction with cultural discourses. Poststructural theory offers teachers fresh ways to teach critical literacy and thinking and provides students with ways to resist ideas…

Quantum Theories of Self-Localization

NASA Astrophysics Data System (ADS)

Bernstein, Lisa Joan

In the classical dynamics of coupled oscillator systems, nonlinearity leads to the existence of stable solutions in which energy remains localized for all time. Here the quantum-mechanical counterpart of classical self-localization is investigated in the context of two model systems. For these quantum models, the terms corresponding to classical nonlinearities modify a subset of the stationary quantum states to be particularly suited to the creation of nonstationary wavepackets that localize energy for long times. The first model considered here is the Quantized Discrete Self-Trapping model (QDST), a system of anharmonic oscillators with linear dispersive coupling used to model local modes of vibration in polyatomic molecules. A simple formula is derived for a particular symmetry class of QDST systems which gives an analytic connection between quantum self-localization and classical local modes. This formula is also shown to be useful in the interpretation of the vibrational spectra of some molecules. The second model studied is the Frohlich/Einstein Dimer (FED), a two-site system of anharmonically coupled oscillators based on the Frohlich Hamiltonian and motivated by the theory of Davydov solitons in biological protein. The Born-Oppenheimer perturbation method is used to obtain approximate stationary state wavefunctions with error estimates for the FED at the first excited level. A second approach is used to reduce the first excited level FED eigenvalue problem to a system of ordinary differential equations. A simple theory of low-energy self-localization in the FED is discussed. The quantum theories of self-localization in the intrinsic QDST model and the extrinsic FED model are compared.

Extension of many-body theory and approximate density functionals to fractional charges and fractional spins.

PubMed

Yang, Weitao; Mori-Sánchez, Paula; Cohen, Aron J

2013-09-14

The exact conditions for density functionals and density matrix functionals in terms of fractional charges and fractional spins are known, and their violation in commonly used functionals has been shown to be the root of many major failures in practical applications. However, approximate functionals are designed for physical systems with integer charges and spins, not in terms of the fractional variables. Here we develop a general framework for extending approximate density functionals and many-electron theory to fractional-charge and fractional-spin systems. Our development allows for the fractional extension of any approximate theory that is a functional of G(0), the one-electron Green's function of the non-interacting reference system. The extension to fractional charge and fractional spin systems is based on the ensemble average of the basic variable, G(0). We demonstrate the fractional extension for the following theories: (1) any explicit functional of the one-electron density, such as the local density approximation and generalized gradient approximations; (2) any explicit functional of the one-electron density matrix of the non-interacting reference system, such as the exact exchange functional (or Hartree-Fock theory) and hybrid functionals; (3) many-body perturbation theory; and (4) random-phase approximations. A general rule for such an extension has also been derived through scaling the orbitals and should be useful for functionals where the link to the Green's function is not obvious. The development thus enables the examination of approximate theories against known exact conditions on the fractional variables and the analysis of their failures in chemical and physical applications in terms of violations of exact conditions of the energy functionals. The present work should facilitate the calculation of chemical potentials and fundamental bandgaps with approximate functionals and many-electron theories through the energy derivatives with respect to the fractional charge. It should play an important role in developing accurate approximate density functionals and many-body theory.

Against the empirical viability of the Deutsch-Wallace-Everett approach to quantum mechanics

NASA Astrophysics Data System (ADS)

Dawid, Richard; Thébault, Karim P. Y.

2014-08-01

The subjective Everettian approach to quantum mechanics presented by Deutsch and Wallace fails to constitute an empirically viable theory of quantum phenomena. The decision theoretic implementation of the Born rule realized in this approach provides no basis for rejecting Everettian quantum mechanics in the face of empirical data that contradicts the Born rule. The approach of Greaves and Myrvold, which provides a subjective implementation of the Born rule as well but derives it from empirical data rather than decision theoretic arguments, avoids the problem faced by Deutsch and Wallace and is empirically viable. However, there is good reason to cast doubts on its scientific value.

Second Order Born Effects in the Perpendicular Plane Ionization of Xe (5p) Atoms

NASA Astrophysics Data System (ADS)

Purohit, G.; Singh, Prithvi; Patidar, Vinod

We report triple differential cross section (TDCS) results for the perpendicular plane ionization of xenon atoms at incident electron energies 5, 10, 20, 30, and 40 eV above ionization potential. The TDCS calculation have been preformed within the modified distorted wave Born approximation formalism including the second order Born (SBA) amplitude. We compare the (e, 2e) TDCS result of our calculation with the very recent measurements of Nixon and Murray [Phys. Rev. A 85, 022716 (2012)] and relativistic DWBA-G results of Illarionov and Stauffer [J. Phys. B: At. Mol. Opt. Phys. 45, 225202 (2012)] and discuss the process contributing to structure seen in the differential cross section.

The Latino Paradox in Neighborhood Context: The Case of Asthma and Other Respiratory Conditions

PubMed Central

Cagney, Kathleen A.; Browning, Christopher R.; Wallace, Danielle M.

2007-01-01

Objectives. Evidence indicates that foreign-born Latinos have a health advantage compared with US-born persons of the same socioeconomic status. An explanation for this paradox has remained elusive. We examined the extent to which this paradox exists for the prevalence of asthma and other respiratory conditions. We then explored the role of neighborhood social context in understanding any observed advantage. We invoked theories of social organization, collective efficacy, and the urban ethnic enclave. Methods. We combined data from the Project on Human Development in Chicago Neighborhoods Community Survey with 2 other data sources and used hierarchical generalized linear modeling techniques. Results. We found a distinctly graded effect for asthma and other breathing problems among foreign-born Latinos, depending on community composition. Foreign-born Latinos embedded in a neighborhood that had a high percentage of foreign-born residents experienced a significantly lower prevalence of asthma and other breathing problems; those in communities that had a low percentage of foreign-born residents had the highest prevalence overall (even when compared with African Americans). Conclusions. Foreign-born Latinos have a respiratory health advantage only in enclave-like settings. Contexts such as these may provide the cohesiveness critical for effective prevention. PMID:17395846

Decision theory and information propagation in quantum physics

NASA Astrophysics Data System (ADS)

Forrester, Alan

In recent papers, Zurek [(2005). Probabilities from entanglement, Born's rule p k =| ψ k | 2 from entanglement. Physical Review A, 71, 052105] has objected to the decision-theoretic approach of Deutsch [(1999) Quantum theory of probability and decisions. Proceedings of the Royal Society of London A, 455, 3129-3137] and Wallace [(2003). Everettian rationality: defending Deutsch's approach to probability in the Everett interpretation. Studies in History and Philosophy of Modern Physics, 34, 415-438] to deriving the Born rule for quantum probabilities on the grounds that it courts circularity. Deutsch and Wallace assume that the many worlds theory is true and that decoherence gives rise to a preferred basis. However, decoherence arguments use the reduced density matrix, which relies upon the partial trace and hence upon the Born rule for its validity. Using the Heisenberg picture and quantum Darwinism-the notion that classical information is quantum information that can proliferate in the environment pioneered in Ollivier et al. [(2004). Objective properties from subjective quantum states: Environment as a witness. Physical Review Letters, 93, 220401 and (2005). Environment as a witness: Selective proliferation of information and emergence of objectivity in a quantum universe. Physical Review A, 72, 042113]-I show that measurement interactions between two systems only create correlations between a specific set of commuting observables of system 1 and a specific set of commuting observables of system 2. This argument picks out a unique basis in which information flows in the correlations between those sets of commuting observables. I then derive the Born rule for both pure and mixed states and answer some other criticisms of the decision theoretic approach to quantum probability.

Educational gradients in five Asian immigrant populations: Do country of origin, duration and generational status moderate the education-health relationship?

PubMed

Ro, Annie; Geronimus, Arline; Bound, John; Griffith, Derek; Gee, Gilbert

2016-12-01

Education usually shows a relationship with self-rated health such that those with highest education have the best health and those with lowest education have the worst health. We examine these educational gradients among Asian immigrants and whether they differ by country of origin, duration in the United States, and generational status. Migration theories suggest that recent immigrants from poorer countries should show a weaker relationship between education and health than US-born Whites. Acculturation theory further suggests that differences in gradients across country of origin should diminish for longer-term immigrants and the US-born and that these groups should display gradients similar to US-born Whites. We use the March Current Population Survey (2000 - 2010) to examine educational gradients in self-rated health among recent immigrants (≤ 15 years duration), longer-term immigrants (> 15 years duration), and second generation US-born Asians from China (n = 4473), India (n = 4,307), the Philippines (n = 5746), South Korea (n = 2760), and Japan (n = 1265). We find weak or non-significant educational gradients among recent Asian immigrants across the five countries of origin. There is no indication that longer-term immigrants display significant differences across educational status. Only second generation Chinese and Filipinos show significant differences by educational status. Overall, Asians show an attenuated relationship between education and self-rated health compared to US-Whites that persists over duration in the US and generational status. Our findings show shortcomings in migration and acculturation theories to explain these gradient patterns. Future research could use binational data or explore psychosocial factors to identify potential suppressors of educational gradients.

Computational Spectroscopy of Polycyclic Aromatic Hydrocarbons In Support of Laboratory Astrophysics

NASA Technical Reports Server (NTRS)

Tan, Xiaofeng; Salama, Farid

2006-01-01

Polycyclic aromatic hydrocarbons (PAHs) are strong candidates for the molecular carriers of the unidentified infrared bands (UIR) and the diffuse interstellar bands (DIBs). In order to test the PAH hypothesis, we have systematically measured the vibronic spectra of a number of jet-cooled neutral and ionized PAHs in the near ultraviolet (UV) to visible spectral ranges using the cavity ring-down spectroscopy. To support this experimental effort, we have carried out theoretical studies of the spectra obtained in our measurements. Ab initio and (time-dependent) density.functiona1 theory calculations are performed to obtain the geometries, energetics, vibrational frequencies, transition dipole moments, and normal coordinates of these PAH molecules. Franck-Condon (FC) calculations and/or vibronic calculations are then performed using the calculated normal coordinates and vibrational frequencies to simulate the vibronic spectra. It is found that vibronic interactions in these conjugated pi electron systems are often strong enough to cause significant deviations from the Born-Oppenheimer (BO) approximation. For vibronic transitions that are well described by the BO approximation, the vibronic band profiles are simulated by calculating the rotational structure of the vibronic transitions. Vibronic oscillator strength factors are calculated in the frame of the FC approximation from the electronic transition dipole moments and the FC factors. This computational effort together with our experimental measurements provides, for the first time, powerful tools for comparison with space-based data and, hence, a powerful approach to understand the spectroscopy of interstellar PAH analogs and the nature of the UIR and DIBs.

Electron emission perpendicular to the polarization direction in laser-assisted XUV atomic ionization

NASA Astrophysics Data System (ADS)

Gramajo, A. A.; Della Picca, R.; Arbó, D. G.

2017-08-01

We present a theoretical study of ionization of the hydrogen atom due to an XUV pulse in the presence of an infrared (IR) laser with both fields linearly polarized in the same direction. In particular, we study the energy distribution of photoelectrons emitted perpendicularly to the polarization direction. As we previously showed in Gramajo et al. [Phys. Rev. A 94, 053404 (2016), 10.1103/PhysRevA.94.053404] for parallel emission, by means of a very simple semiclassical model which considers electron trajectories born at different ionization times, the electron energy spectrum can be interpreted as the interplay of intra- and intercycle interferences. However, contrary to the case of parallel emission the intracycle interference pattern stems from the coherent superposition of four electron trajectories giving rise to (i) interference of electron trajectories born during the same half cycle (intra-half-cycle interference) and (ii) interference between electron trajectories born during the first half cycle with those born during the second half cycle (inter-half-cycle interference). The intercycle interference is responsible for the formation of the sidebands. We also show that the destructive inter-half-cycle interference for the absorption and emission of an even number of IR laser photons is responsible for the characteristic sidebands in the perpendicular direction separated by twice the IR photon energy. This contrasts with the emission along the polarization axis (all sideband orders are present) since intra-half-cycle interferences do not exist in that case. The intracycle interference pattern works as a modulation of the sidebands and, in the same way, it is modulated by the intra-half-cycle interference pattern. We analyze the dependence of the energy spectrum on the laser intensity and the time delay between the XUV pulse and the IR laser. Finally, we show that our semiclassical simulations are in very good agreement with quantum calculations within the strong-field approximation and the numerical solution of the time-dependent Schrödinger equation, giving rise to nonzero emission, in contraposition to other theories.

Stochastic Evolution of Augmented Born-Infeld Equations

NASA Astrophysics Data System (ADS)

Holm, Darryl D.

2018-06-01

This paper compares the results of applying a recently developed method of stochastic uncertainty quantification designed for fluid dynamics to the Born-Infeld model of nonlinear electromagnetism. The similarities in the results are striking. Namely, the introduction of Stratonovich cylindrical noise into each of their Hamiltonian formulations introduces stochastic Lie transport into their dynamics in the same form for both theories. Moreover, the resulting stochastic partial differential equations retain their unperturbed form, except for an additional term representing induced Lie transport by the set of divergence-free vector fields associated with the spatial correlations of the cylindrical noise. The explanation for this remarkable similarity lies in the method of construction of the Hamiltonian for the Stratonovich stochastic contribution to the motion in both cases, which is done via pairing spatial correlation eigenvectors for cylindrical noise with the momentum map for the deterministic motion. This momentum map is responsible for the well-known analogy between hydrodynamics and electromagnetism. The momentum map for the Maxwell and Born-Infeld theories of electromagnetism treated here is the 1-form density known as the Poynting vector. Two appendices treat the Hamiltonian structures underlying these results.

Protecting Family Interests: An Interview Study with Foreign-Born Parents Struggling On in Childhood Cancer Care

PubMed Central

Pergert, Pernilla; Ekblad, Solvig; Björk, Olle; Enskär, Karin; Andrews, Tom

2012-01-01

Sweden's population is gradually changing to become more multiethnic and diverse and that applies also for recipients of health care, including childhood cancer care. A holistic view on the sick child in the context of its family has always been a cornerstone in childhood cancer care in Sweden. The purpose of this study was to gain knowledge about the experiences and main concern of foreign-born parents in the context of paediatric cancer care. Interviews were performed with eleven foreign-born parents and data were analysed using a classic grounded theory approach. Foreign-born parents often feel in a position of powerless dependence, but family interests are protected in their approaches to interaction with healthcare staff, through cooperation, contesting, and reluctant resigning. Healthcare staff need to listen to foreign-born parents and deal with their concerns seriously to prevent powerless-dependence and work for trustful cooperation in the common fight against childhood cancer. PMID:22518180

The Education of Hindu Priests in the Diaspora: Assessing the Value of Community of Practice Theory

ERIC Educational Resources Information Center

Verma, Michele

2010-01-01

The utility and limitations of Lave and Wenger's social theory of learning can be evaluated through specific case studies which enhance our understanding of how education proceeds in diverse contexts. Here I provide an ethnographic case study of the training of Caribbean-born Hindu "pandits" ("priests") living and working in…

Eastern Equine Encephalitis

MedlinePlus

... EEE is one of the most severe mosquito-transmitted diseases in the United States with approximately 33% mortality ... Emerging and Zoonotic Infectious Diseases (NCEZID) Division of Vector-Borne Diseases (DVBD) Email Recommend Tweet YouTube Instagram Listen Watch ...

Electron impact excitation of H2 - Rydberg band systems and the benchmark dissociative cross section for H Lyman-alpha

NASA Technical Reports Server (NTRS)

Shemansky, D. E.; Hall, D. T.; Ajello, J. M.

1985-01-01

The cross sections sigma R 1 (2p) for excitation of H Ly-alpha emission produced by electron impact on H2 is reexamined. A more accurate estimate for sigma R 1 (2p) is obtained based on Born approximation estimates of the H2 Rydberg system cross sections using measured relative excitation functions. The obtained value is (8.18 + or -1.2) x 10 to the -18th sq cm at 100 eV, a factor of 0.69 below the value universally applied to cross section measurements over the past decade. Cross sections for the H2 Rydberg systems fixed in magnitude by the Born approximation have also been obtained using experimentally determined excitation functions. Accurate analytic expressions for these cross sections allow the direct calculation of rate coefficients.

Quantitative assessment of submicron scale anisotropy in tissue multifractality by scattering Mueller matrix in the framework of Born approximation

NASA Astrophysics Data System (ADS)

Das, Nandan Kumar; Dey, Rajib; Chakraborty, Semanti; Panigrahi, Prasanta K.; Meglinski, Igor; Ghosh, Nirmalya

2018-04-01

A number of tissue-like disordered media exhibit local anisotropy of scattering in the scaling behavior. Scaling behavior contains wealth of fractal or multifractal properties. We demonstrate that the spatial dielectric fluctuations in a sample of biological tissue exhibit multifractal anisotropy. Multifractal anisotropy encoded in the wavelength variation of the light scattering Mueller matrix and manifesting as an intriguing spectral diattenuation effect. We developed an inverse method for the quantitative assessment of the multifractal anisotropy. The method is based on the processing of relevant Mueller matrix elements in Fourier domain by using Born approximation, followed by the multifractal analysis. The approach promises for probing subtle micro-structural changes in biological tissues associated with the cancer and precancer, as well as for non-destructive characterization of a wide range of scattering materials.

Single electron impact ionization of the methane molecule

NASA Astrophysics Data System (ADS)

Bouamoud, Mammar; Sahlaoui, Mohammed; Benmansour, Nour El Houda; Atomic and Molecular Collisions Team

2014-10-01

Triply differential cross sections (TDCS) results of electron-impact ionization of the inner 2a1 molecular orbital of CH4 are presented in the framework of the Second Born Approximation and compared with the experimental data performed in coplanar asymmetric geometry. The cross sections are averaged on the random orientations of the molecular target for accurate comparison with experiments and are compared also with the theoretical calculations of the Three Coulomb wave (3CW) model. Our results are in good agreement with experiments and 3CW results in the binary peak. In contrast the Second Born Approximation yields a significant higher values compared to the 3CW results for the recoil peak and seems to describe suitably the recoil region where higher order effects can occur with the participation of the recoiling ion in the collision process.

Precise calculations in simulations of the interaction of low energy neutrons with nano-dispersed media

NASA Astrophysics Data System (ADS)

Artem'ev, V. A.; Nezvanov, A. Yu.; Nesvizhevsky, V. V.

2016-01-01

We discuss properties of the interaction of slow neutrons with nano-dispersed media and their application for neutron reflectors. In order to increase the accuracy of model simulation of the interaction of neutrons with nanopowders, we perform precise quantum mechanical calculation of potential scattering of neutrons on single nanoparticles using the method of phase functions. We compare results of precise calculations with those performed within first Born approximation for nanodiamonds with the radius of 2-5 nm and for neutron energies 3 × 10-7-10-3 eV. Born approximation overestimates the probability of scattering to large angles, while the accuracy of evaluation of integral characteristics (cross sections, albedo) is acceptable. Using Monte-Carlo method, we calculate albedo of neutrons from different layers of piled up diamond nanopowder.

A forward model and conjugate gradient inversion technique for low-frequency ultrasonic imaging.

PubMed

van Dongen, Koen W A; Wright, William M D

2006-10-01

Emerging methods of hyperthermia cancer treatment require noninvasive temperature monitoring, and ultrasonic techniques show promise in this regard. Various tomographic algorithms are available that reconstruct sound speed or contrast profiles, which can be related to temperature distribution. The requirement of a high enough frequency for adequate spatial resolution and a low enough frequency for adequate tissue penetration is a difficult compromise. In this study, the feasibility of using low frequency ultrasound for imaging and temperature monitoring was investigated. The transient probing wave field had a bandwidth spanning the frequency range 2.5-320.5 kHz. The results from a forward model which computed the propagation and scattering of low-frequency acoustic pressure and velocity wave fields were used to compare three imaging methods formulated within the Born approximation, representing two main types of reconstruction. The first uses Fourier techniques to reconstruct sound-speed profiles from projection or Radon data based on optical ray theory, seen as an asymptotical limit for comparison. The second uses backpropagation and conjugate gradient inversion methods based on acoustical wave theory. The results show that the accuracy in localization was 2.5 mm or better when using low frequencies and the conjugate gradient inversion scheme, which could be used for temperature monitoring.

Soil Moisture Active Passive (SMAP) Project Algorithm Theoretical Basis Document SMAP L1B Radiometer Data Product: L1B_TB

NASA Technical Reports Server (NTRS)

Piepmeier, Jeffrey; Mohammed, Priscilla; De Amici, Giovanni; Kim, Edward; Peng, Jinzheng; Ruf, Christopher; Hanna, Maher; Yueh, Simon; Entekhabi, Dara

2016-01-01

The purpose of the Soil Moisture Active Passive (SMAP) radiometer calibration algorithm is to convert Level 0 (L0) radiometer digital counts data into calibrated estimates of brightness temperatures referenced to the Earth's surface within the main beam. The algorithm theory in most respects is similar to what has been developed and implemented for decades for other satellite radiometers; however, SMAP includes two key features heretofore absent from most satellite borne radiometers: radio frequency interference (RFI) detection and mitigation, and measurement of the third and fourth Stokes parameters using digital correlation. The purpose of this document is to describe the SMAP radiometer and forward model, explain the SMAP calibration algorithm, including approximations, errors, and biases, provide all necessary equations for implementing the calibration algorithm and detail the RFI detection and mitigation process. Section 2 provides a summary of algorithm objectives and driving requirements. Section 3 is a description of the instrument and Section 4 covers the forward models, upon which the algorithm is based. Section 5 gives the retrieval algorithm and theory. Section 6 describes the orbit simulator, which implements the forward model and is the key for deriving antenna pattern correction coefficients and testing the overall algorithm.

Immigration, race/ethnicity, and social and economic factors as predictors of breastfeeding initiation.

PubMed

Celi, Ann C; Rich-Edwards, Janet W; Richardson, Marcie K; Kleinman, Ken P; Gillman, Matthew W

2005-03-01

To determine the impact of immigration status as well as race/ethnicity and social and economic factors on breastfeeding initiation. Cohort. Multisite group practice in eastern Massachusetts. One thousand eight hundred twenty-nine pregnant women prospectively followed up in Project Viva. Whether the participant breastfed her infant. The overall breastfeeding initiation rate was 83%. In multivariate models that included race/ethnicity and social, economic, and demographic factors, foreign-born women were more likely to initiate breastfeeding than US-born women (odds ratio [OR], 3.2 [95% confidence interval (CI), 2.0-5.2]). In models stratified by both race/ethnicity and immigration status, and further adjusted for whether the mother herself was breastfed as an infant and the mother's parents' immigration status, US-born and foreign-born black and Hispanic women initiated breastfeeding at rates at least as high as US-born white women (US-born black vs US-born white women, OR, 1.2 [95% CI, 0.8-1.9], US-born Hispanic vs US-born white women, OR, 1.1 [95% CI, 0.6-1.9], foreign-born black vs US-born white women, OR, 2.6 [95% CI, 1.1-6.0], and foreign-born Hispanic vs US-born white women, OR, 1.8 [95% CI, 0.7-4.8]). Calculations of predicted prevalences showed that, for example, the 2.6-fold increase in odds for the foreign-born black vs US-born white women translated to an increase in probability of approximately 1.4. Higher maternal education and household income also predicted higher initiation rates. Immigration status was strongly associated with increased breastfeeding initiation in this cohort, implying that cultural factors are important in the decision to breastfeed. Immigrants of all races/ethnicities initiated breastfeeding more often than their US-born counterparts. In addition, US-born minority groups initiated breastfeeding at rates at least as high as their white counterparts, likely due in part to high levels of education and income as well as to access to a medical care system that explicitly supports breastfeeding.

Fast inverse scattering solutions using the distorted Born iterative method and the multilevel fast multipole algorithm

PubMed Central

Hesford, Andrew J.; Chew, Weng C.

2010-01-01

The distorted Born iterative method (DBIM) computes iterative solutions to nonlinear inverse scattering problems through successive linear approximations. By decomposing the scattered field into a superposition of scattering by an inhomogeneous background and by a material perturbation, large or high-contrast variations in medium properties can be imaged through iterations that are each subject to the distorted Born approximation. However, the need to repeatedly compute forward solutions still imposes a very heavy computational burden. To ameliorate this problem, the multilevel fast multipole algorithm (MLFMA) has been applied as a forward solver within the DBIM. The MLFMA computes forward solutions in linear time for volumetric scatterers. The typically regular distribution and shape of scattering elements in the inverse scattering problem allow the method to take advantage of data redundancy and reduce the computational demands of the normally expensive MLFMA setup. Additional benefits are gained by employing Kaczmarz-like iterations, where partial measurements are used to accelerate convergence. Numerical results demonstrate both the efficiency of the forward solver and the successful application of the inverse method to imaging problems with dimensions in the neighborhood of ten wavelengths. PMID:20707438

[MALE, FEMALE, NEUTRUM. SEXUAL IDENTITY, UNCERTAIN SEX AND BIOLOGY].

PubMed

Famularo, Simone

2014-01-01

For almost 2000 years, human beings have been discussing about gender. New scientific evidences give interesting new points of view, partially subverting the normal dichotomy described by the "two-gender" theory. In this article, we are going to critically review the history of the approach towards people born with a Sexual-Differentiation-Disorder, passing through the analysis of the Italian National Ethics Committee's opinion, describing the modern scientific evidences on the gender-identity development, furthermore ruling out the new approach borned from the femminist philosophies, and the new biogiuridical experiments borned in Australia and Germany. Would it be possible a world where a person could be more then a male or a female?

S-Wave Dispersion Relations: Exact Left Hand E-Plane Discontinuity from the Born Series

NASA Technical Reports Server (NTRS)

Bessis, D.; Temkin, A.

1999-01-01

We show, for a superposition of Yukawa potentials, that the left hand cut discontinuity in the complex E plane of the (S-wave) scattering amplitude is given exactly, in an interval depending on n, by the discontinuity of the Born series stopped at order n. This also establishes an inverse and unexpected correspondence of the Born series at positive high energies and negative low energies. We can thus construct a viable dispersion relation (DR) for the partial (S-) wave amplitude. The high numerical precision achievable by the DR is demonstrated for the exponential potential at zero scattering energy. We also briefly discuss the extension of our results to Field Theory.

Primordial cosmology in mimetic born-infeld gravity

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

Bouhmadi-Lopez, Mariam; Chen, Che -Yu; Chen, Pisin

Here, the Eddington-inspired-Born-Infeld (EiBI) model is reformulated within the mimetic approach. In the presence of a mimetic field, the model contains non-trivial vacuum solutions which could be free of spacetime singularity because of the Born-Infeld nature of the theory. We study a realistic primordial vacuum universe and prove the existence of regular solutions, such as primordial inflationary solutions of de Sitter type or bouncing solutions. Besides, the linear instabilities present in the EiBI model are found to be avoidable for some interesting bouncing solutions in which the physical metric as well as the auxiliary metric are regular at the backgroundmore » level.« less

Primordial cosmology in mimetic born-infeld gravity

DOE PAGES

Bouhmadi-Lopez, Mariam; Chen, Che -Yu; Chen, Pisin

2017-11-29

Here, the Eddington-inspired-Born-Infeld (EiBI) model is reformulated within the mimetic approach. In the presence of a mimetic field, the model contains non-trivial vacuum solutions which could be free of spacetime singularity because of the Born-Infeld nature of the theory. We study a realistic primordial vacuum universe and prove the existence of regular solutions, such as primordial inflationary solutions of de Sitter type or bouncing solutions. Besides, the linear instabilities present in the EiBI model are found to be avoidable for some interesting bouncing solutions in which the physical metric as well as the auxiliary metric are regular at the backgroundmore » level.« less

An approximation theory for the identification of nonlinear distributed parameter systems

NASA Technical Reports Server (NTRS)

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

1988-01-01

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

A differential equation for the Generalized Born radii.

PubMed

Fogolari, Federico; Corazza, Alessandra; Esposito, Gennaro

2013-06-28

The Generalized Born (GB) model offers a convenient way of representing electrostatics in complex macromolecules like proteins or nucleic acids. The computation of atomic GB radii is currently performed by different non-local approaches involving volume or surface integrals. Here we obtain a non-linear second-order partial differential equation for the Generalized Born radius, which may be solved using local iterative algorithms. The equation is derived under the assumption that the usual GB approximation to the reaction field obeys Laplace's equation. The equation admits as particular solutions the correct GB radii for the sphere and the plane. The tests performed on a set of 55 different proteins show an overall agreement with other reference GB models and "perfect" Poisson-Boltzmann based values.

Design and calibration of a rocket-borne electron spectrometer for investigation of particle ionization in the nighttime midlatitude E region

NASA Technical Reports Server (NTRS)

Voss, H. D.; Smith, L. G.

1974-01-01

An explanation was developed for the formation, near midnight at midlatitudes, of a broad electron density layer extending approximately from 120 to 180 km and usually referred to as the intermediate E layer. The responsible mechanism is believed to be the converging vertical ion drifts resulting from winds of the solar semidiurnal tide. Numerical solutions of the continuity equation appropriate to the intermediate layer is described for particular models of ion drift, diffusion coefficents, and ionization production. Analysis of rocket observations of the layer show that the ionization rate is highly correlated with the planetary geomagnetic index, K sub p. Particle flux measurements support the idea that energetic electrons are the principal source of this ionization. A semiconductor spectrometer experiment for investigation of the particle flux, spectrum, and angular properties was designed and successfully flown on a Nike Apache rocket. A detailed description of the theory, design, and calibration of the experiment and some preliminary results presented.

All-theoretical prediction of cabin noise due to impingement of propeller vortices on a wing structure

NASA Technical Reports Server (NTRS)

Martinez, R.; Cole, J. E., III; Martini, K.; Westagard, A.

1987-01-01

Reported calculations of structure-borne cabin noise for a small twin engine aircraft powered by tractor propellers rely on the following three-stage methodological breakup of the problem: (1) the unsteady-aerodynamic prediction of wing lift harmonics caused by the whipping action of the vortex system trailed from each propeller; (2) the associated wing/fuselage structural response; (3) the cabin noise field for the computed wall vibration. The first part--the estimate of airloads--skirts a full-fledged aeroelastic situation by assuming the wing to be fixed in space while cancelling the downwash field of the cutting vortices. The model is based on an approximate high-frequency lifting-surface theory justified by the blade rate and flight Mach number of application. Its results drive a finite-element representation of the wing accounting for upper and lower skin surfaces, spars, ribs, and the presence of fuel. The fuselage, modeled as a frame-stiffened cylindrical shell, is bolted to the wing.

Application of theoretical models to active and passive remote sensing of saline ice

NASA Technical Reports Server (NTRS)

Han, H. C.; Kong, J. A.; Shin, R. T.; Nghiem, S. V.; Kwok, R.

1992-01-01

The random medium model is used to interpret the polarimetric active and passive measurements of saline ice. The ice layer is described as a host ice medium embedded with randomly distributed inhomogeneities, and the underlying sea water is considered as a homogeneous half-space. The scatterers in the ice layer are modeled with an ellipsoidal correlation function. The orientation of the scatterers is vertically aligned and azimuthally random. The strong permittivity fluctuation theory is used to calculate the effective permittivity and the distorted Born approximation is used to obtain the polarimetric scattering coefficients. Thermal emissions based on the reciprocity and energy conservation principles are calculated. The effects of the random roughness at the air-ice, and ice-water interfaces are explained by adding the surface scattering to the volume scattering return incoherently. The theoretical model, which has been successfully applied to analyze the radar backscatter data of first-year sea ice, is used to interpret the measurements performed in the Cold Regions Research and Engineering Laboratory's CRRELEX program.

Low-energy positron scattering by pyrimidine

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

Barbosa, Alessandra Souza; Pastega, Diego F.; Bettega, Márcio H. F., E-mail: bettega@fisica.ufpr.br

2015-12-28

This work reports elastic integral and differential cross sections for positron collisions with pyrimidine, for energies up to 20 eV. The cross sections were computed with the Schwinger multichannel method in the static plus polarization approximation. We also employed the Born closure procedure to account for the long range potential due to the permanent dipole moment of the molecule. Our results are compared with the experimental total cross section of Zecca et al. [J. Phys. B 43, 215204 (2010)], the experimental grand-total, quasi-elastic integral and differential cross section of Palihawadana et al. [Phys. Rev. A 88, 12717 (2013)]. We alsomore » compare our results with theoretical integral and differential cross sections obtained by Sanz et al. [Phys. Rev. A 88, 62704 (2013)] with the R-matrix and the independent atom model with screening-corrected additivity rule methods, and with the results computed by Franz and Gianturco [Phys. Rev. A 88, 042711 (2013)] using model correlation-polarization potentials. The agreement between the theory and the experiment is encouraging.« less

Damping of quasiparticles in a Bose-Einstein condensate coupled to an optical cavity

NASA Astrophysics Data System (ADS)

Kónya, G.; Szirmai, G.; Domokos, P.

2014-07-01

We present a general theory for calculating the damping rate of elementary density-wave excitations in a Bose-Einstein condensate strongly coupled to a single radiation field mode of an optical cavity. Thereby we give a detailed derivation of the huge resonant enhancement in the Beliaev damping of a density-wave mode, predicted recently by Kónya et al. [Phys. Rev. A 89, 051601(R) (2014), 10.1103/PhysRevA.89.051601]. The given density-wave mode constitutes the polaritonlike soft mode of the self-organization phase transition. The resonant enhancement takes place, in both the normal and the ordered phases, outside the critical region. We show that the large damping rate is accompanied by a significant frequency shift of this polariton mode. Going beyond the Born-Markov approximation and determining the poles of the retarded Green's function of the polariton, we reveal a strong coupling between the polariton and a collective mode in the phonon bath formed by the other density-wave modes.

Transition probabilities for general birth-death processes with applications in ecology, genetics, and evolution

PubMed Central

Crawford, Forrest W.; Suchard, Marc A.

2011-01-01

A birth-death process is a continuous-time Markov chain that counts the number of particles in a system over time. In the general process with n current particles, a new particle is born with instantaneous rate λn and a particle dies with instantaneous rate μn. Currently no robust and efficient method exists to evaluate the finite-time transition probabilities in a general birth-death process with arbitrary birth and death rates. In this paper, we first revisit the theory of continued fractions to obtain expressions for the Laplace transforms of these transition probabilities and make explicit an important derivation connecting transition probabilities and continued fractions. We then develop an efficient algorithm for computing these probabilities that analyzes the error associated with approximations in the method. We demonstrate that this error-controlled method agrees with known solutions and outperforms previous approaches to computing these probabilities. Finally, we apply our novel method to several important problems in ecology, evolution, and genetics. PMID:21984359

Deep-Focusing Time-Distance Helioseismology

NASA Technical Reports Server (NTRS)

Duvall, T. L., Jr.; Jensen, J. M.; Kosovichev, A. G.; Birch, A. C.; Fisher, Richard R. (Technical Monitor)

2001-01-01

Much progress has been made by measuring the travel times of solar acoustic waves from a central surface location to points at equal arc distance away. Depth information is obtained from the range of arc distances examined, with the larger distances revealing the deeper layers. This method we will call surface-focusing, as the common point, or focus, is at the surface. To obtain a clearer picture of the subsurface region, it would, no doubt, be better to focus on points below the surface. Our first attempt to do this used the ray theory to pick surface location pairs that would focus on a particular subsurface point. This is not the ideal procedure, as Born approximation kernels suggest that this focus should have zero sensitivity to sound speed inhomogeneities. However, the sensitivity is concentrated below the surface in a much better way than the old surface-focusing method, and so we expect the deep-focusing method to be more sensitive. A large sunspot group was studied by both methods. Inversions based on both methods will be compared.

Remote sensing of Earth terrain

NASA Technical Reports Server (NTRS)

Kong, Jin AU; Yueh, Herng-Aung

1990-01-01

The layered random medium model is used to investigate the fully polarimetric scattering of electromagnetic waves from vegetation. The vegetation canopy is modeled as an anisotropic random medium containing nonspherical scatterers with preferred alignment. The underlying medium is considered as a homogeneous half space. The scattering effect of the vegetation canopy are characterized by 3-D correlation functions with variances and correlation lengths respectively corresponding to the fluctuation strengths and the physical geometries of the scatterers. The strong fluctuation theory is used to calculate the anisotropic effective permittivity tensor of the random medium and the distorted Born approximation is then applied to obtain the covariance matrix which describes the fully polarimetric scattering properties of the vegetation field. This model accounts for all the interaction processes between the boundaries and the scatterers and includes all the coherent effects due to wave propagation in different directions such as the constructive and destructive interferences. For a vegetation canopy with low attenuation, the boundary between the vegetation and the underlying medium can give rise to significant coherent effects.

Simple prescription for computing the interparticle potential energy for D-dimensional gravity systems

NASA Astrophysics Data System (ADS)

Accioly, Antonio; Helayël-Neto, José; Barone, F. E.; Herdy, Wallace

2015-02-01

A straightforward prescription for computing the D-dimensional potential energy of gravitational models, which is strongly based on the Feynman path integral, is built up. Using this method, the static potential energy for the interaction of two masses is found in the context of D-dimensional higher-derivative gravity models, and its behavior is analyzed afterwards in both ultraviolet and infrared regimes. As a consequence, two new gravity systems in which the potential energy is finite at the origin, respectively, in D = 5 and D = 6, are found. Since the aforementioned prescription is equivalent to that based on the marriage between quantum mechanics (to leading order, i.e., in the first Born approximation) and the nonrelativistic limit of quantum field theory, and bearing in mind that the latter relies basically on the calculation of the nonrelativistic Feynman amplitude ({{M}NR}), a trivial expression for computing {{M}NR} is obtained from our prescription as an added bonus.

Simulating the spread of malaria using a generic transmission model for mosquito-borne infectious diseases

NASA Astrophysics Data System (ADS)

Kon, Cynthia Mui Lian; Labadin, Jane

2016-06-01

Malaria is a critical infection caused by parasites which are spread to humans through mosquito bites. Approximately half of the world's population is in peril of getting infected by malaria. Mosquito-borne diseases have a standard behavior where they are transmitted in the same manner, only through vector mosquito. Taking this into account, a generic spatial-temporal model for transmission of multiple mosquito-borne diseases had been formulated. Our interest is to reproduce the actual cases of different mosquito-borne diseases using the generic model and then predict future cases so as to improve control and target measures competently. In this paper, we utilize notified weekly malaria cases in four districts in Sarawak, Malaysia, namely Kapit, Song, Belaga and Marudi. The actual cases for 36 weeks, which is from week 39 in 2012 to week 22 in 2013, are compared with simulations of the generic spatial-temporal transmission mosquito-borne diseases model. We observe that the simulation results display corresponding result to the actual malaria cases in the four districts.

Fathers & Babies: How Babies Grow and What They Need from You, from Birth to 18 Months.

ERIC Educational Resources Information Center

Marzollo, Jean

This book provides fathers with specific developmental theory and practical skills and advice concerning how babies grow and what they need from fathers from the time they are born until they turn 18 months. Each chapter provides information and theory on age appropriate play activities and specific information on a baby's growth and developmental…

Alpher, Ralph Asher (1921-)

NASA Astrophysics Data System (ADS)

Murdin, P.

2000-11-01

Physicist, born in Washington, DC. With HANS BETHE and GEORGE GAMOW, he proposed in 1948 the `alpha-beta-gamma' theory of the creation of the elements by successive addition of nucleons to hydrogen to build up the periodic table (the alpha part of the name of the theory referred to Alpher). This idea, subsequently shown by MARGARET BURBIDGE, Geoffery Burbidge, WILLIAM FOWLER and FRED HOYLE to be...

Natural-Born Arguers: Teaching How to Make the Best of Our Reasoning Abilities

ERIC Educational Resources Information Center

Mercier, Hugo; Boudry, Maarten; Paglieri, Fabio; Trouche, Emmanuel

2017-01-01

We summarize the argumentative theory of reasoning, which claims that the main function of reasoning is to argue. In this theory, argumentation is seen as being essentially cooperative (people have to listen to others' arguments and be ready to change their mind) but with an adversarial dimension (their goal as argument producers is to convince).…

Schwarzschild, Karl (1873-1916)

NASA Astrophysics Data System (ADS)

Murdin, P.

2000-11-01

Mathematical physicist, born in Frankfurt am Main, Germany, at first worked on celestial mechanics, including POINCARÉ's theory of rotating bodies, the tidal deformation of moons and LAPLACE's origin of the solar system. He became professor at Göttingen and Potsdam. He wrote on relativity and quantum theory. He early on proposed that space was non-Euclidean, giving a lower limit for the radius of...

Plasticity, political economy, and physical growth status of Guatemala Maya children living in the United States.

PubMed

Bogin, B; Loucky, J

1997-01-01

Migration of Maya refugees to the United States since the late 1970s affords the opportunity to study the consequences of life in a new environment on the growth of Maya children. The children of this study live in Indiantown, Florida, and Los Angeles, California. Maya children between 4 and 14 years old (n = 240) were measured for height, weight, fatness, and muscularity. Overall, compared with reference data for the United States, the Maya children are, on average, healthy and well nourished. They are taller and heavier and carry more fat and muscle mass than Maya children living in a village in Guatemala. However, they are shorter, on average, than children of black, Mexican-American, and white ethnicity living in Indiantown. Children of Maya immigrants born in the United States tend to be taller than immigrant children born in Guatemala or Mexico. Families that invest economic and social resources in their children have taller children. More economic successful families have taller children. Migration theory and political economy theory from the social sciences are combined with plasticity theory and life history theory (parental investment) from biology to interpret these data.

120 DEG C Cure, Durable, Corrosion Protection Powder Coatings for Temperature Sensitive Substrates

DTIC Science & Technology

2005-01-28

Extrudate was passed through water-cooled pinch-rolls and collected onto a stainless steel belt; from exit of the extruder, approximately 60 sec... stainless steel belt; from exit of the extruder, approximately 60 sec. was required to reach ambient temperature. Production scale processing at...inherently free from volatile organic compounds, chromates, and hazardous air pollutants. Relative to the incumbent solvent-borne urethane paint

Prevalence of small for gestational age (SGA) and short stature in children born SGA who qualify for growth hormone treatment at 3 years of age: Population-based study.

PubMed

Fujita, Kaori; Nagasaka, Miwako; Iwatani, Sota; Koda, Tsubasa; Kurokawa, Daisuke; Yamana, Keiji; Nishida, Kosuke; Taniguchi-Ikeda, Mariko; Uchino, Eiko; Shirai, Chika; Iijima, Kazumoto; Morioka, Ichiro

2016-05-01

To treat children born small for gestational age (SGA) with severe short stature, treatment with growth hormone (GH) has been approved in the USA, Europe, and Japan, but no population-based studies have reported their prevalence. The aims of this study were to investigate the prevalence of SGA and short stature in children born SGA who qualify for GH treatment at 3 years of age in a Japanese population. A population-based study was conducted in Kobe, Japan with 27 228 infants who were born between 2006 and 2008 and followed until 3 years of age. Prevalence of birthweight (BW) or birth length (BL) ≤ -2.0 standard deviation scores (SDS) for gestational age (GA; definition of SGA) was calculated. Short children born SGA who qualify for GH treatment at 3 years of age were estimated using the following criteria: BW and BL below the 10th percentile for GA, BW or BL ≤ -2.0 SDS for GA, and 2.5 SDS below the mean height for age. The prevalence of SGA was 3.5%. The estimated prevalence of short stature in children born SGA who met the criteria for GH treatment was 0.06%. The prevalence in infants born <34 weeks (0.39%) was significantly higher than that in infants born 34-41 weeks GA (0.05%, P = 0.02). The prevalence of SGA and short stature in children born SGA who qualify for GH treatment is approximately 1 of 30 infants and 1 of 1800 children, respectively. The risk is increased when children are born <34 weeks GA. © 2015 Japan Pediatric Society.

Hamiltonian lattice field theory: Computer calculations using variational methods

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

Zako, Robert L.

1991-12-03

I develop a variational method for systematic numerical computation of physical quantities -- bound state energies and scattering amplitudes -- in quantum field theory. An infinite-volume, continuum theory is approximated by a theory on a finite spatial lattice, which is amenable to numerical computation. I present an algorithm for computing approximate energy eigenvalues and eigenstates in the lattice theory and for bounding the resulting errors. I also show how to select basis states and choose variational parameters in order to minimize errors. The algorithm is based on the Rayleigh-Ritz principle and Kato`s generalizations of Temple`s formula. The algorithm could bemore » adapted to systems such as atoms and molecules. I show how to compute Green`s functions from energy eigenvalues and eigenstates in the lattice theory, and relate these to physical (renormalized) coupling constants, bound state energies and Green`s functions. Thus one can compute approximate physical quantities in a lattice theory that approximates a quantum field theory with specified physical coupling constants. I discuss the errors in both approximations. In principle, the errors can be made arbitrarily small by increasing the size of the lattice, decreasing the lattice spacing and computing sufficiently long. Unfortunately, I do not understand the infinite-volume and continuum limits well enough to quantify errors due to the lattice approximation. Thus the method is currently incomplete. I apply the method to real scalar field theories using a Fock basis of free particle states. All needed quantities can be calculated efficiently with this basis. The generalization to more complicated theories is straightforward. I describe a computer implementation of the method and present numerical results for simple quantum mechanical systems.« less

How large are nonadiabatic effects in atomic and diatomic systems?

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

Yang, Yubo, E-mail: yyang173@illinois.edu, E-mail: normantubman2015@u.northwestern.edu; Tubman, Norm M., E-mail: yyang173@illinois.edu, E-mail: normantubman2015@u.northwestern.edu; Ceperley, David M.

2015-09-28

With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. We report ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to bemore » nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.« less

Elastic and inelastic scattering of /sup 58/Ni+/sup 208/Pb at bombarding energies from 598 to 1011 MeV

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

Beckerman, M.; Auble, R.L.; Bertrand, F.E.

1987-08-01

High-resolution measurements have been made of elastic and inelastic scattering of /sup 58/Ni+ /sup 208/Pb at four bombarding energies from 10.3 to 17.4 MeV/nucleon. The considerable inelastic strength observed for excitation energies up to at least 7 MeV is dominated by Coulomb-driven quadrupole transitions. Analyses were done using both the distorted-wave Born approximation and coupled-channels models. At the highest bombarding energies the data can be described equally well by distorted-wave Born approximations and coupled channels analyses. We find that B(E2) = 0.062 e/sup 2/b/sup 2/ for the 1.454 MeV 2/sup +/ state in /sup 58/Ni and B(E2) = 0.34 e/supmore » 2/b/sup 2/ for the 4.09 MeV 2/sup +/ state in /sup 208/Pb.« less

u d b \\xAF b \\xAF tetraquark resonances with lattice QCD potentials and the Born-Oppenheimer approximation

NASA Astrophysics Data System (ADS)

Bicudo, Pedro; Cardoso, Marco; Peters, Antje; Pflaumer, Martin; Wagner, Marc

2017-09-01

We study tetraquark resonances with lattice QCD potentials computed for a static b ¯b ¯ pair in the presence of two lighter quarks u d , the Born-Oppenheimer approximation and the emergent wave method. As a proof of concept we focus on the system with isospin I =0 , but consider different relative angular momenta l of the heavy quarks b ¯b ¯. For l =0 a bound state has already been predicted with quantum numbers I (JP)=0 (1+). Exploring various angular momenta we now compute the phase shifts and search for S and T matrix poles in the second Riemann sheet. We predict a tetraquark resonance for l =1 , decaying into two B mesons, with quantum numbers I (JP)=0 (1-) , mass m =10 57 6-4+4 MeV and decay width Γ =11 2-103+90 MeV .

How large are nonadiabatic effects in atomic and diatomic systems?

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

Yang, Yubo; Kylänpää, Ilkka; Tubman, Norm M.

2015-09-29

With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. Here, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. Our report shows the ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to bemore » nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.« less

On proton excitation of forbidden lines in positive ions

NASA Astrophysics Data System (ADS)

Burgess, Alan; Tully, John A.

2005-08-01

The semi-classical impact parameter approximations used by Bahcall and Wolf and by Bely and Faucher, for proton excitation of electric quadrupole transitions in positive ions, both fail at high energies, giving cross sections which do not fall off correctly as constant/E. This is in contrast with the pioneering example of Seaton for Fe+13 and of Reid and Schwarz for S+3, both of whom achieve the correct functional form, but do not ensure the correct constant of proportionality. By combining the Born and semi-classical approximations one can obtain cross sections which have the full correct behaviour as E → ∞, and hence, rate coefficients which have the correct high temperature behaviour (~C/T1/2 with the correct value of C). We provide a computer program for calculating these. An error in Faucher's derivation of the Born formula is also discussed.

The He+H¯→He p¯+e+ rearrangement

NASA Astrophysics Data System (ADS)

Todd, Allan C.; Armour, Edward A. G.

2006-06-01

In this paper, we present a summary of our work in progress on calculating cross sections for the He+H¯→He p¯+e+ rearrangement process in He H¯ scattering. This has involved a study of the system He p¯ within the Born-Oppenheimer (BO) approximation using the Rayleigh-Ritz variational method. This work has been reported in [A.C. Todd, E.A.G. Armour, J. Phys. B 38 (2005) 3367] and is summarised here. Similar calculations are in progress for the He+H¯ entrance channel. We intend to use the entrance channel and rearrangement channel wave functions to obtain the cross sections for the rearrangement using the distorted wave Born approximation T-matrix method described elsewhere in these proceedings [E.A.G. Armour, S. Jonsell, Y. Liu, A.C. Todd, these Proceedings, doi:10.1016/j.nimb.2006.01.049].

Higher-Order Extended Lagrangian Born-Oppenheimer Molecular Dynamics for Classical Polarizable Models.

PubMed

Albaugh, Alex; Head-Gordon, Teresa; Niklasson, Anders M N

2018-02-13

Generalized extended Lagrangian Born-Oppenheimer molecular dynamics (XLBOMD) methods provide a framework for fast iteration-free simulations of models that normally require expensive electronic ground state optimizations prior to the force evaluations at every time step. XLBOMD uses dynamically driven auxiliary degrees of freedom that fluctuate about a variationally optimized ground state of an approximate "shadow" potential which approximates the true reference potential. While the requirements for such shadow potentials are well understood, constructing such potentials in practice has previously been ad hoc, and in this work, we present a systematic development of XLBOMD shadow potentials that match the reference potential to any order. We also introduce a framework for combining friction-like dissipation for the auxiliary degrees of freedom with general-order integration, a combination that was not previously possible. These developments are demonstrated with a simple fluctuating charge model and point induced dipole polarization models.

Direct pair production in heavy-ion--atom collisions

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

Anholt, R.; Jakubassa-Amundsen, D.H.; Amundsen, P.A.

1983-02-01

Direct pair production in approx.5-MeV/amu heavy-ion--atom collisions with uranium target atoms is calculated with the plane-wave Born approximation and the semiclassical approximation. Briggs's approximation is used to obtain the electron and positron wave functions. Since pair production involves high momentum transfer q from the moving projectile to the vacuum, use is made of a high-q approximation to greatly simplify the numerical computations. Coulomb deflection of the projectile, the effect of finite nuclear size on the elec- tronic wave functions, and the energy loss by the projectile exciting the pair are all taken into account in these calculations.

The Born Rule and Free Will: why Libertarian Agent-Causal Free Will is not "antiscientific"

NASA Astrophysics Data System (ADS)

Kastner, Ruth E.

In the libertarian "agent causation" view of free will, free choices are attributable only to the choosing agent, as opposed to a specific cause or causes outside the agent. An often-repeated claim in the philosophical literature on free will is that agent causation necessarily implies lawlessness, and is therefore "antiscientific." That claim is critiqued and it is argued, on the contrary, that the volitional powers of a free agent need not be viewed as anomic, specifically with regard to the quantum statistical law (the Born Rule). Assumptions about the role and nature of causation, taken as bearing on volitional agency, are examined and found inadequate to the task. Finally, it is suggested that quantum theory may constitute precisely the sort of theory required for a nomic grounding of libertarian free will.

Heterogeneity, Mixing, and the Spatial Scales of Mosquito-Borne Pathogen Transmission

PubMed Central

Perkins, T. Alex; Scott, Thomas W.; Le Menach, Arnaud; Smith, David L.

2013-01-01

The Ross-Macdonald model has dominated theory for mosquito-borne pathogen transmission dynamics and control for over a century. The model, like many other basic population models, makes the mathematically convenient assumption that populations are well mixed; i.e., that each mosquito is equally likely to bite any vertebrate host. This assumption raises questions about the validity and utility of current theory because it is in conflict with preponderant empirical evidence that transmission is heterogeneous. Here, we propose a new dynamic framework that is realistic enough to describe biological causes of heterogeneous transmission of mosquito-borne pathogens of humans, yet tractable enough to provide a basis for developing and improving general theory. The framework is based on the ecological context of mosquito blood meals and the fine-scale movements of individual mosquitoes and human hosts that give rise to heterogeneous transmission. Using this framework, we describe pathogen dispersion in terms of individual-level analogues of two classical quantities: vectorial capacity and the basic reproductive number, . Importantly, this framework explicitly accounts for three key components of overall heterogeneity in transmission: heterogeneous exposure, poor mixing, and finite host numbers. Using these tools, we propose two ways of characterizing the spatial scales of transmission—pathogen dispersion kernels and the evenness of mixing across scales of aggregation—and demonstrate the consequences of a model's choice of spatial scale for epidemic dynamics and for estimation of , both by a priori model formulas and by inference of the force of infection from time-series data. PMID:24348223

Nonkin in older adults' personal networks: more important among later cohorts?

PubMed

Suanet, Bianca; van Tilburg, Theo G; Broese van Groenou, Marjolein I

2013-07-01

Research on age-related changes in personal networks has found compelling evidence for socioemotional selectivity theory and exchange theory holding that older adults experience a decline in less emotionally close nonkin relations as they age. However, recent societal developments are likely to have increased the salience of nonkin relations. We hypothesize that age-related decline in the proportion of nonkin in personal networks has been delayed or is slower in late birth cohorts of older adults compared with earlier cohorts. Seven observations by the Longitudinal Aging Study Amsterdam covering a time span of 17 years since 1992 were analyzed using multilevel regression analysis. The sample had 12,949 person-year observations from 3,516 respondents born between 1908 and 1937. Age-related decline in the proportion of nonkin is absent for cohorts born after 1922 and large for cohorts born in 1922 and before. Mediating variables for health and other resources did not explain cohort differences in age-related change. The salience of nonkin relationships is likely to have increased due to societal changes, resulting in absence or delay of decline in later cohorts. The findings raise the need for a reevaluation of old age and the creation of new theoretical perspectives.

Modified Eddington-inspired-Born-Infeld gravity with a trace term

DOE PAGES

Chen, Che -Yu; Bouhmadi-Lopez, Mariam; Chen, Pisin

2016-01-22

In this study, a modified Eddington-inspired-Born-Infeld (EiBI) theory with a pure trace term g μνR being added to the determinantal action is analysed from a cosmological point of view. It corresponds to the most general action constructed from a rank two tensor that contains up to first order terms in curvature. This term can equally be seen as a conformal factor multiplying the metric g μν . This very interesting type of amendment has not been considered within the Palatini formalism despite the large amount of works on the Born-Infeld-inspired theory of gravity. This model can provide smooth bouncing solutionsmore » which were not allowed in the EiBI model for the same EiBI coupling. Most interestingly, for a radiation filled universe there are some regions of the parameter space that can naturally lead to a de Sitter inflationary stage without the need of any exotic matter field. Finally, in this model we discover a new type of cosmic “quasi-sudden” singularity, where the cosmic time derivative of the Hubble rate becomes very large but finite at a finite cosmic time.« less

Phylogeny of the Genus Flavivirus

PubMed Central

Kuno, Goro; Chang, Gwong-Jen J.; Tsuchiya, K. Richard; Karabatsos, Nick; Cropp, C. Bruce

1998-01-01

We undertook a comprehensive phylogenetic study to establish the genetic relationship among the viruses of the genus Flavivirus and to compare the classification based on molecular phylogeny with the existing serologic method. By using a combination of quantitative definitions (bootstrap support level and the pairwise nucleotide sequence identity), the viruses could be classified into clusters, clades, and species. Our phylogenetic study revealed for the first time that from the putative ancestor two branches, non-vector and vector-borne virus clusters, evolved and from the latter cluster emerged tick-borne and mosquito-borne virus clusters. Provided that the theory of arthropod association being an acquired trait was correct, pairwise nucleotide sequence identity among these three clusters provided supporting data for a possibility that the non-vector cluster evolved first, followed by the separation of tick-borne and mosquito-borne virus clusters in that order. Clades established in our study correlated significantly with existing antigenic complexes. We also resolved many of the past taxonomic problems by establishing phylogenetic relationships of the antigenically unclassified viruses with the well-established viruses and by identifying synonymous viruses. PMID:9420202

Phylogeny of the genus Flavivirus.

PubMed

Kuno, G; Chang, G J; Tsuchiya, K R; Karabatsos, N; Cropp, C B

1998-01-01

We undertook a comprehensive phylogenetic study to establish the genetic relationship among the viruses of the genus Flavivirus and to compare the classification based on molecular phylogeny with the existing serologic method. By using a combination of quantitative definitions (bootstrap support level and the pairwise nucleotide sequence identity), the viruses could be classified into clusters, clades, and species. Our phylogenetic study revealed for the first time that from the putative ancestor two branches, non-vector and vector-borne virus clusters, evolved and from the latter cluster emerged tick-borne and mosquito-borne virus clusters. Provided that the theory of arthropod association being an acquired trait was correct, pairwise nucleotide sequence identity among these three clusters provided supporting data for a possibility that the non-vector cluster evolved first, followed by the separation of tick-borne and mosquito-borne virus clusters in that order. Clades established in our study correlated significantly with existing antigenic complexes. We also resolved many of the past taxonomic problems by establishing phylogenetic relationships of the antigenically unclassified viruses with the well-established viruses and by identifying synonymous viruses.

Sound transmission of cavity walls due to structure borne transmission via point and line connections.

PubMed

Davy, John L

2012-08-01

The author has published equations for predicting the air borne sound transmission of double leaf cavity walls due to the structure borne sound transmission across the air cavity via (possibly resilient) line connections, but has never published the full derivation of these equations. The author also derived equations for the case when the connections are rigid point connections but has never used them or published them or their derivations. This paper will present the full derivation of the author's theory of the air borne sound transmission of double leaf cavity walls due to the structure borne sound transmission across the air cavity via point or line connections which are modeled as four pole networks. The theoretical results will be compared with experimental results on wooden stud cavity walls from the National Research Council of Canada because the screw spacing is given for these results. This enables connections via studs and screws to be modeled as point connections and avoids the need to make any assumptions about the compliance of the equivalent point or line connections.

Current and Future Repellent Technologies: The Potential of Spatial Repellents and Their Place in Mosquito-Borne Disease Control.

PubMed

Norris, Edmund J; Coats, Joel R

2017-01-29

Every year, approximately 700,000 people die from complications associated with etiologic disease agents transmitted by mosquitoes. While insecticide-based vector control strategies are important for the management of mosquito-borne diseases, insecticide-resistance and other logistical hurdles may lower the efficacy of this approach, especially in developing countries. Repellent technologies represent another fundamental aspect of preventing mosquito-borne disease transmission. Among these technologies, spatial repellents are promising alternatives to the currently utilized contact repellents and may significantly aid in the prevention of mosquito-borne disease if properly incorporated into integrated pest management approaches. As their deployment would not rely on prohibitively expensive or impractical novel accessory technologies and resources, they have potential utility in developing countries where the burden of mosquito-borne disease is most prevalent. This review aims to describe the history of various repellent technologies, highlight the potential of repellent technologies in preventing the spread of mosquito-borne disease, and discuss currently known mechanisms that confer resistance to current contact and spatial repellents, which may lead to the failures of these repellents. In the subsequent section, current and future research projects aimed at exploring long-lasting non-pyrethroid spatial repellent molecules along with new paradigms and rationale for their development will be discussed.

Current and Future Repellent Technologies: The Potential of Spatial Repellents and Their Place in Mosquito-Borne Disease Control

PubMed Central

Norris, Edmund J.; Coats, Joel R.

2017-01-01

Every year, approximately 700,000 people die from complications associated with etiologic disease agents transmitted by mosquitoes. While insecticide-based vector control strategies are important for the management of mosquito-borne diseases, insecticide-resistance and other logistical hurdles may lower the efficacy of this approach, especially in developing countries. Repellent technologies represent another fundamental aspect of preventing mosquito-borne disease transmission. Among these technologies, spatial repellents are promising alternatives to the currently utilized contact repellents and may significantly aid in the prevention of mosquito-borne disease if properly incorporated into integrated pest management approaches. As their deployment would not rely on prohibitively expensive or impractical novel accessory technologies and resources, they have potential utility in developing countries where the burden of mosquito-borne disease is most prevalent. This review aims to describe the history of various repellent technologies, highlight the potential of repellent technologies in preventing the spread of mosquito-borne disease, and discuss currently known mechanisms that confer resistance to current contact and spatial repellents, which may lead to the failures of these repellents. In the subsequent section, current and future research projects aimed at exploring long-lasting non-pyrethroid spatial repellent molecules along with new paradigms and rationale for their development will be discussed. PMID:28146066

Quantifying Fusion Born Ion Populations in Magnetically Confined Plasmas using Ion Cyclotron Emission

DOE PAGES

Carbajal, L.; Warwick Univ., Coventry; Dendy, R. O.; ...

2017-03-07

Ion cyclotron emission (ICE) offers unique promise as a diagnostic of the fusion born alpha-particle population in magnetically confined plasmas. Pioneering observations from JET and TFTR found that ICE intensity P ICE scales approximately linearly with the measured neutron flux from fusion reactions, and with the inferred concentration, n /n i , of fusion-born alpha-particles confined within the plasma. We present fully nonlinear self-consistent kinetic simulations that reproduce this scaling for the first time. This resolves a longstanding question in the physics of fusion alpha particle confinement and stability in MCF plasmas. It confirms the MCI as the likely emissionmore » mechanism and greatly strengthens the basis for diagnostic exploitation of ICE in future burning plasmas.« less

Quantifying Fusion Born Ion Populations in Magnetically Confined Plasmas using Ion Cyclotron Emission

NASA Astrophysics Data System (ADS)

Carbajal, L.; Dendy, R. O.; Chapman, S. C.; Cook, J. W. S.

2017-03-01

Ion cyclotron emission (ICE) offers a unique promise as a diagnostic of the fusion born alpha-particle population in magnetically confined plasmas. Pioneering observations from JET and TFTR found that ICE intensity PICE scales approximately linearly with the measured neutron flux from fusion reactions, and with the inferred concentration, nα/ni, of fusion born alpha particles confined within the plasma. We present fully nonlinear self-consistent kinetic simulations that reproduce this scaling for the first time. This resolves a long-standing question in the physics of fusion alpha-particle confinement and stability in magnetic confinement fusion plasmas. It confirms the magnetoacoustic cyclotron instability as the likely emission mechanism and greatly strengthens the basis for diagnostic exploitation of ICE in future burning plasmas.

Quantifying Fusion Born Ion Populations in Magnetically Confined Plasmas using Ion Cyclotron Emission.

PubMed

Carbajal, L; Dendy, R O; Chapman, S C; Cook, J W S

2017-03-10

Ion cyclotron emission (ICE) offers a unique promise as a diagnostic of the fusion born alpha-particle population in magnetically confined plasmas. Pioneering observations from JET and TFTR found that ICE intensity P_{ICE} scales approximately linearly with the measured neutron flux from fusion reactions, and with the inferred concentration, n_{α}/n_{i}, of fusion born alpha particles confined within the plasma. We present fully nonlinear self-consistent kinetic simulations that reproduce this scaling for the first time. This resolves a long-standing question in the physics of fusion alpha-particle confinement and stability in magnetic confinement fusion plasmas. It confirms the magnetoacoustic cyclotron instability as the likely emission mechanism and greatly strengthens the basis for diagnostic exploitation of ICE in future burning plasmas.

Kant, Immanuel (1724-1804)

NASA Astrophysics Data System (ADS)

Murdin, P.

2000-11-01

German philosopher, born in Königsberg, published his view of the universe in General History of Nature and Theory of the Heavens (1755) in which he presented his nebular hypothesis of the formation of the solar system. It was much like the present theory that the Sun and planets formed from the condensation of a rotating disc of interstellar material. Kant identified the Milky Way as a lens-shap...

VLF Trimpi modelling on the path NWC-Dunedin using both finite element and 3D Born modelling

NASA Astrophysics Data System (ADS)

Nunn, D.; Hayakawa, K. B. M.

1998-10-01

This paper investigates the numerical modelling of VLF Trimpis, produced by a D region inhomogeneity on the great circle path. Two different codes are used to model Trimpis on the path NWC-Dunedin. The first is a 2D Finite Element Method Code (FEM), whose solutions are rigorous and valid in the strong scattering or non-Born limit. The second code is a 3D model that invokes the Born approximation. The predicted Trimpis from these codes compare very closely, thus confirming the validity of both models. The modal scattering matrices for both codes are analysed in some detail and are found to have a comparable structure. They indicate strong scattering between the dominant TM modes. Analysis of the scattering matrix from the FEM code shows that departure from linear Born behaviour occurs when the inhomogeneity has a horizontal scale size of about 100 km and a maximum electron density enhancement at 75 km altitude of about 6 electrons.

Asymptotic form for the cross section for the Coulomb interacting rearrangement collisions

NASA Technical Reports Server (NTRS)

Omidvar, K.

1973-01-01

It is shown that in a rearrangement collision leading to the formation of the highly excited hydrogenlike states the cross section in all orders of the Born approximation behaves as 1/n sq, with n the principal quantum number, thus invalidating the Brinkman-Kramers approximation for large n. Similarly, in high energy inelastic electron-hydrogenlike atom collisions the exchange cross section for sufficiently large n dominates the direct excitation cross section.

The blind leading the blind: Mutual refinement of approximate theories

NASA Technical Reports Server (NTRS)

Kedar, Smadar T.; Bresina, John L.; Dent, C. Lisa

1991-01-01

The mutual refinement theory, a method for refining world models in a reactive system, is described. The method detects failures, explains their causes, and repairs the approximate models which cause the failures. The approach focuses on using one approximate model to refine another.

Nucleation theory - Is replacement free energy needed?. [error analysis of capillary approximation

NASA Technical Reports Server (NTRS)

Doremus, R. H.

1982-01-01

It has been suggested that the classical theory of nucleation of liquid from its vapor as developed by Volmer and Weber (1926) needs modification with a factor referred to as the replacement free energy and that the capillary approximation underlying the classical theory is in error. Here, the classical nucleation equation is derived from fluctuation theory, Gibb's result for the reversible work to form a critical nucleus, and the rate of collision of gas molecules with a surface. The capillary approximation is not used in the derivation. The chemical potential of small drops is then considered, and it is shown that the capillary approximation can be derived from thermodynamic equations. The results show that no corrections to Volmer's equation are needed.

Pitch angle scattering of relativistic electrons from stationary magnetic waves: Continuous Markov process and quasilinear theory

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

Lemons, Don S.

2012-01-15

We develop a Markov process theory of charged particle scattering from stationary, transverse, magnetic waves. We examine approximations that lead to quasilinear theory, in particular the resonant diffusion approximation. We find that, when appropriate, the resonant diffusion approximation simplifies the result of the weak turbulence approximation without significant further restricting the regime of applicability. We also explore a theory generated by expanding drift and diffusion rates in terms of a presumed small correlation time. This small correlation time expansion leads to results valid for relatively small pitch angle and large wave energy density - a regime that may govern pitchmore » angle scattering of high-energy electrons into the geomagnetic loss cone.« less

Functional neural bases of numerosity judgments in healthy adults born preterm.

PubMed

Clark, Caron A C; Liu, Yating; Wright, Nicolas Lee Abbot; Bedrick, Alan; Edgin, Jamie O

2017-11-01

High rates of mathematics learning disabilities among individuals born preterm (<37weeksGA) have spurred calls for a greater understanding of the nature of these weaknesses and their neural underpinnings. Groups of healthy, high functioning young adults born preterm and full term (n=20) completed a symbolic and non-symbolic magnitude comparison task while undergoing functional MRI scanning. Collectively, participants showed activation in superior and inferior frontal and parietal regions previously linked to numeric processing when comparing non-symbolic magnitude arrays separated by small numeric distances. Simultaneous deactivation of the default mode network also was evident during these trials. Individuals born preterm showed increased signal change relative to their full term peers in right inferior frontal and parietal regions when comparing the non-symbolic magnitude arrays. Elevated signal change during non-symbolic task blocks was associated with poorer performance on a calculation task administered outside of the scanner. These findings indicate that healthy, high-functioning adults born preterm may recruit fronto-parietal networks more extensively when processing non-symbolic magnitudes, suggesting that approximate number system training may be an inroad for early intervention to prevent mathematics difficulties in this population. Copyright © 2017 Elsevier Inc. All rights reserved.

Race differences in infant mortality from endogenous causes: a population-based study in North Carolina.

PubMed

Michielutte, R; Moore, M L; Meis, P J; Ernest, J M; Wells, H B

1994-02-01

This study examines the associations between race, birth weight, and mortality from endogenous causes for all singleton births born in 1984-1987 in a 20-county region of North Carolina. A more detailed analysis of preterm low birth weight infants examines these associations according to the proximate medical causes (medical etiology) of the preterm birth. Overall, black infants were found to have approximately twice the mortality risk of white infants. Most of the excess black mortality risk is explained by the larger proportion of black infants born at lower birth weights. The pattern of race differences in infant mortality by birth weight generally replicates the results of earlier studies, but the relative risk ratios within specific birth weight categories are smaller than previously reported. Among preterm low birth weight infants, the association between race and endogenous mortality differs within categories of medical etiology. The mortality risk is the same for black and white infants born preterm due to premature rupture of the membranes (PROM), lower for black infants born preterm due to medical problems, and higher for black infants born preterm due to idiopathic premature labor (IPL).

Variation in Differential and Total Cross Sections Due to Different Radial Wave Functions

ERIC Educational Resources Information Center

Williamson, W., Jr.; Greene, T.

1976-01-01

Three sets of analytical wave functions are used to calculate the Na (3s---3p) transition differential and total electron excitation cross sections by Born approximations. Results show expected large variations in values. (Author/CP)

Establishing a theory for deuteron-induced surrogate reactions

NASA Astrophysics Data System (ADS)

Potel, G.; Nunes, F. M.; Thompson, I. J.

2015-09-01

Background: Deuteron-induced reactions serve as surrogates for neutron capture into compound states. Although these reactions are of great applicability, no theoretical efforts have been invested in this direction over the last decade. Purpose: The goal of this work is to establish on firm grounds a theory for deuteron-induced neutron-capture reactions. This includes formulating elastic and inelastic breakup in a consistent manner. Method: We describe this process both in post- and prior-form distorted wave Born approximation following previous works and discuss the differences in the formulation. While the convergence issues arising in the post formulation can be overcome in the prior formulation, in this case one still needs to take into account additional terms due to nonorthogonality. Results: We apply our method to the 93Nb(d ,p )X at Ed=15 and 25 MeV and are able to obtain a good description of the data. We look at the various partial wave contributions, as well as elastic versus inelastic contributions. We also connect our formulation with transfer to neutron bound states. Conclusions: Our calculations demonstrate that the nonorthogonality term arising in the prior formulation is significant and is at the heart of the long-standing controversy between the post and the prior formulations of the theory. We also show that the cross sections for these reactions are angular-momentum dependent and therefore the commonly used Weisskopf limit is inadequate. Finally, we make important predictions for the relative contributions of elastic breakup and nonelastic breakup and call for elastic-breakup measurements to further constrain our model.

Establishing a theory for deuteron induced surrogate reactions

DOE PAGES

Potel, G.; Nunes, F. M.; Thompson, I. J.

2015-09-18

Background: Deuteron-induced reactions serve as surrogates for neutron capture into compound states. Although these reactions are of great applicability, no theoretical efforts have been invested in this direction over the last decade. Purpose: The goal of this work is to establish on firm grounds a theory for deuteron-induced neutron-capture reactions. This includes formulating elastic and inelastic breakup in a consistent manner. Method: We describe this process both in post- and prior-form distorted wave Born approximation following previous works and discuss the differences in the formulation. While the convergence issues arising in the post formulation can be overcome in the priormore » formulation, in this case one still needs to take into account additional terms due to nonorthogonality. Results: We apply our method to the Nb93(d,p)X at Ed=15 and 25 MeV and are able to obtain a good description of the data. We then look at the various partial wave contributions, as well as elastic versus inelastic contributions. We also connect our formulation with transfer to neutron bound states.Conclusions: Our calculations demonstrate that the nonorthogonality term arising in the prior formulation is significant and is at the heart of the long-standing controversy between the post and the prior formulations of the theory. We also show that the cross sections for these reactions are angular-momentum dependent and therefore the commonly used Weisskopf limit is inadequate. We finally make important predictions for the relative contributions of elastic breakup and nonelastic breakup and call for elastic-breakup measurements to further constrain our model.« less

Unified description of H-atom-induced chemicurrents and inelastic scattering.

PubMed

Kandratsenka, Alexander; Jiang, Hongyan; Dorenkamp, Yvonne; Janke, Svenja M; Kammler, Marvin; Wodtke, Alec M; Bünermann, Oliver

2018-01-23

The Born-Oppenheimer approximation (BOA) provides the foundation for virtually all computational studies of chemical binding and reactivity, and it is the justification for the widely used "balls and springs" picture of molecules. The BOA assumes that nuclei effectively stand still on the timescale of electronic motion, due to their large masses relative to electrons. This implies electrons never change their energy quantum state. When molecules react, atoms must move, meaning that electrons may become excited in violation of the BOA. Such electronic excitation is clearly seen for: ( i ) Schottky diodes where H adsorption at Ag surfaces produces electrical "chemicurrent;" ( ii ) Au-based metal-insulator-metal (MIM) devices, where chemicurrents arise from H-H surface recombination; and ( iii ) Inelastic energy transfer, where H collisions with Au surfaces show H-atom translation excites the metal's electrons. As part of this work, we report isotopically selective hydrogen/deuterium (H/D) translational inelasticity measurements in collisions with Ag and Au. Together, these experiments provide an opportunity to test new theories that simultaneously describe both nuclear and electronic motion, a standing challenge to the field. Here, we show results of a recently developed first-principles theory that quantitatively explains both inelastic scattering experiments that probe nuclear motion and chemicurrent experiments that probe electronic excitation. The theory explains the magnitude of chemicurrents on Ag Schottky diodes and resolves an apparent paradox--chemicurrents exhibit a much larger isotope effect than does H/D inelastic scattering. It also explains why, unlike Ag-based Schottky diodes, Au-based MIM devices are insensitive to H adsorption.

Non-perturbative aspects of particle acceleration in non-linear electrodynamics

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

Burton, David A.; Flood, Stephen P.; Wen, Haibao

2015-04-15

We undertake an investigation of particle acceleration in the context of non-linear electrodynamics. We deduce the maximum energy that an electron can gain in a non-linear density wave in a magnetised plasma, and we show that an electron can “surf” a sufficiently intense Born-Infeld electromagnetic plane wave and be strongly accelerated by the wave. The first result is valid for a large class of physically reasonable modifications of the linear Maxwell equations, whilst the second result exploits the special mathematical structure of Born-Infeld theory.

South Asian-White health inequalities in Canada: intersections with gender and immigrant status.

PubMed

Veenstra, Gerry; Patterson, Andrew C

2016-12-01

We apply intersectionality theory to health inequalities in Canada by investigating whether South Asian-White health inequalities are conditioned by gender and immigrant status in a synergistic way. Our dataset comprised 10 cycles (2001-2013) of the Canadian Community Health Survey. Using binary logistic regression modeling, we examined South Asian-White inequalities in self-rated health, diabetes, hypertension and asthma before and after controlling for potentially explanatory factors. Models were calculated separately in subsamples of native-born women, native-born men, immigrant women and immigrant men. South Asian immigrants had higher odds of fair/poor self-rated health, diabetes and hypertension than White immigrants. Native-born South Asian men had higher odds of fair/poor self-rated health than native-born White men and native-born South Asian women had lower odds of hypertension than native-born White women. Education, household income, smoking, physical activity and body mass index did little to explain these associations. The three-way interaction between racial identity, gender and immigrant status approached statistical significance for hypertension but not for self-rated health and asthma. Our findings provide modest support for the intersectionally inspired principle that combinations of identities derived from race, gender and nationality constitute sui generis categories in the manifestation of health outcomes.

An approximate inverse scattering technique for reconstructing blockage profiles in water pipelines using acoustic transients.

PubMed

Jing, Liwen; Li, Zhao; Wang, Wenjie; Dubey, Amartansh; Lee, Pedro; Meniconi, Silvia; Brunone, Bruno; Murch, Ross D

2018-05-01

An approximate inverse scattering technique is proposed for reconstructing cross-sectional area variation along water pipelines to deduce the size and position of blockages. The technique allows the reconstructed blockage profile to be written explicitly in terms of the measured acoustic reflectivity. It is based upon the Born approximation and provides good accuracy, low computational complexity, and insight into the reconstruction process. Numerical simulations and experimental results are provided for long pipelines with mild and severe blockages of different lengths. Good agreement is found between the inverse result and the actual pipe condition for mild blockages.

Ionization potential depression and optical spectra in a Debye plasma model

NASA Astrophysics Data System (ADS)

Lin, Chengliang; Röpke, Gerd; Reinholz, Heidi; Kraeft, Wolf-Dietrich

2017-11-01

We show how optical spectra in dense plasmas are determined by the shift of energy levels as well as the broadening owing to collisions with the plasma particles. In lowest approximation, the interaction with the plasma particles is described by the RPA dielectric function, leading to the Debye shift of the continuum edge. The bound states remain nearly un-shifted, their broadening is calculated in Born approximation. The role of ionization potential depression as well as the Inglis-Teller effect are shown. The model calculations have to be improved going beyond the lowest (RPA) approximation when applying to WDM spectra.

Accounting for Location Error in Kalman Filters: Integrating Animal Borne Sensor Data into Assimilation Schemes

PubMed Central

Sengupta, Aritra; Foster, Scott D.; Patterson, Toby A.; Bravington, Mark

2012-01-01

Data assimilation is a crucial aspect of modern oceanography. It allows the future forecasting and backward smoothing of ocean state from the noisy observations. Statistical methods are employed to perform these tasks and are often based on or related to the Kalman filter. Typically Kalman filters assumes that the locations associated with observations are known with certainty. This is reasonable for typical oceanographic measurement methods. Recently, however an alternative and abundant source of data comes from the deployment of ocean sensors on marine animals. This source of data has some attractive properties: unlike traditional oceanographic collection platforms, it is relatively cheap to collect, plentiful, has multiple scientific uses and users, and samples areas of the ocean that are often difficult of costly to sample. However, inherent uncertainty in the location of the observations is a barrier to full utilisation of animal-borne sensor data in data-assimilation schemes. In this article we examine this issue and suggest a simple approximation to explicitly incorporate the location uncertainty, while staying in the scope of Kalman-filter-like methods. The approximation stems from a Taylor-series approximation to elements of the updating equation. PMID:22900005

Analysis and evaluation of the moral distress theory.

PubMed

Wilson, Melissa A

2018-04-01

Moral distress is a pervasive problem in nursing resulting in a detriment to patient care, providers, and organizations. Over a decade ago, the moral distress theory (MDT) was proposed and utilized in multiple research studies. This middle range theory explains and predicts the distress that occurs in a nurse because of moral conflict. The research findings born from this theory have been substantial. Since inception of this theory, moral distress has been extensively examined which has further elaborated its understanding. This paper provides an analysis and evaluation of the MDT according to applicable guidelines. Current understanding of the phenomenon indicates that a new theory may be warranted to better predict, treat, and manage moral distress. © 2017 Wiley Periodicals, Inc.

Quantum gravity in timeless configuration space

NASA Astrophysics Data System (ADS)

Gomes, Henrique

2017-12-01

On the path towards quantum gravity we find friction between temporal relations in quantum mechanics (QM) (where they are fixed and field-independent), and in general relativity (where they are field-dependent and dynamic). This paper aims to attenuate that friction, by encoding gravity in the timeless configuration space of spatial fields with dynamics given by a path integral. The framework demands that boundary conditions for this path integral be uniquely given, but unlike other approaches where they are prescribed—such as the no-boundary and the tunneling proposals—here I postulate basic principles to identify boundary conditions in a large class of theories. Uniqueness arises only if a reduced configuration space can be defined and if it has a profoundly asymmetric fundamental structure. These requirements place strong restrictions on the field and symmetry content of theories encompassed here; shape dynamics is one such theory. When these constraints are met, any emerging theory will have a Born rule given merely by a particular volume element built from the path integral in (reduced) configuration space. Also as in other boundary proposals, Time, including space-time, emerges as an effective concept; valid for certain curves in configuration space but not assumed from the start. When some such notion of time becomes available, conservation of (positive) probability currents ensues. I show that, in the appropriate limits, a Schrödinger equation dictates the evolution of weakly coupled source fields on a classical gravitational background. Due to the asymmetry of reduced configuration space, these probabilities and currents avoid a known difficulty of standard WKB approximations for Wheeler DeWitt in minisuperspace: the selection of a unique Hamilton–Jacobi solution to serve as background. I illustrate these constructions with a simple example of a full quantum gravitational theory (i.e. not in minisuperspace) for which the formalism is applicable, and give a formula for calculating gravitational semi-classical relative probabilities in it.

Three-nucleon force contribution in the distorted-wave theory of (d ,p ) reactions

NASA Astrophysics Data System (ADS)

Timofeyuk, N. K.

2018-05-01

The distorted-wave theory of A (d ,p )B reactions, widely used to analyze experimental data, is based on a Hamiltonian that includes only two-nucleon interactions. However, numerous studies of few-nucleon systems and many modern developments in nuclear structure theory show the importance of the three-nucleon (3 N ) force. The purpose of this paper is to study the contribution of the 3 N force of the simplest possible form to the A (d ,p )B reaction amplitude. This contribution is given by a new term that accounts for the interaction of the neutron and proton in the incoming deuteron with one of the target nucleons. This term involves a new type of nuclear matrix elements containing an infinite number of target excitations in addition to the main part associated with the traditional overlap function between A and B . The nuclear matrix elements are calculated for double-closed shell targets within a mean field theory where target excitations are shown to be equivalent to exchanges between valence and core nucleons. These matrix elements can be readily incorporated into available reaction codes if the 3 N interaction has a spin-independent zero-range form. Distorted-wave calculations are presented for a contact 3 N force with the volume integral fixed by the chiral effective field theory at the next-to-next-to-leading order. For this particular choice, the 3 N contribution is noticeable, especially at high deuteron incident energies. No 3 N effects are seen for incident energies below the Coulomb barrier. The finite range can significantly affect the 3 N contribution to the (d ,p ) cross sections. Finite-range studies require new formal developments and, therefore, their contribution is preliminarily assessed within the plane-wave Born approximation, together with sensitivity to the choice of the deuteron model.

The emergence of Quantum Schools: Munich, Göttingen and Copenhagen as new centers of atomic theory

NASA Astrophysics Data System (ADS)

Eckert, M.

2001-01-01

The institutes of Arnold Sommerfeld in Munich, Niels Bohr in Copenhagen, and Max Born in Göttingen became the leading centers for the study of quantum theory in the first decades of the twentieth century. Although founded for a broader range of theoretical physics, the quantum became the major topic of research in Munich after the Bohr-Sommerfeld-model of the atom (1913-16). The heyday came in the 1920s, when Bohr's and Born's institutes started operation and became further attractive centers for ambitious theorists all over the world. The discovery of quantum mechanics (1925) should be regarded not only as the achievement of a few young geniuses (in particular Werner Heisenberg and Wolfgang Pauli) but also as the result of a collaborative effort emerging in the new social and intellectual environment of their teachers' schools in Munich, Göttingen and Copenhagen.

Proposed Test of Relative Phase as Hidden Variable in Quantum Mechanics

DTIC Science & Technology

2012-01-01

implicitly due to its ubiquity in quantum theory , but searches for dependence of measurement outcome on other parameters have been lacking. For a two -state...implemen- tation for the specific case of an atomic two -state system with laser-induced fluores- cence for measurement. Keywords Quantum measurement...Measurement postulate · Born rule 1 Introduction 1.1 Problems with Quantum Measurement Quantum theory prescribes probabilities for outcomes of measurements

Quantum probabilities from quantum entanglement: experimentally unpacking the Born rule

DOE PAGES

Harris, Jérémie; Bouchard, Frédéric; Santamato, Enrico; ...

2016-05-11

The Born rule, a foundational axiom used to deduce probabilities of events from wavefunctions, is indispensable in the everyday practice of quantum physics. It is also key in the quest to reconcile the ostensibly inconsistent laws of the quantum and classical realms, as it confers physical significance to reduced density matrices, the essential tools of decoherence theory. Following Bohr's Copenhagen interpretation, textbooks postulate the Born rule outright. But, recent attempts to derive it from other quantum principles have been successful, holding promise for simplifying and clarifying the quantum foundational bedrock. Moreover, a major family of derivations is based on envariance,more » a recently discovered symmetry of entangled quantum states. Here, we identify and experimentally test three premises central to these envariance-based derivations, thus demonstrating, in the microworld, the symmetries from which the Born rule is derived. Furthermore, we demonstrate envariance in a purely local quantum system, showing its independence from relativistic causality.« less

Retracing the Evolutionary Path that Led to Flea-borne Transmission of Yersinia pestis

PubMed Central

Sun, Yi-Cheng; Jarrett, Clayton O.; Bosio, Christopher F.; Hinnebusch, B. Joseph

2014-01-01

Summary Yersinia pestis is an arthropod-borne bacterial pathogen that evolved recently from Yersinia pseudotuberculosis, an enteric pathogen transmitted via the fecal-oral route. This radical ecological transition can be attributed to a few discrete genetic changes from a still-extant recent ancestor, thus providing a tractable case study in pathogen evolution and emergence. Here, we determined the precise genetic and mechanistic basis of the evolutionary adaptation of Y. pestis to flea-borne transmission. Remarkably, only four minor changes in the bacterial progenitor, representing one gene gain and three gene losses, enabled transmission by flea vectors. All three loss-of-function mutations enhanced c-di-GMP-mediated bacterial biofilm formation in the flea foregut that greatly increased transmissibility. Our results suggest a step-wise evolutionary model in which Y. pestis emerged as a flea-borne clone, with each genetic change incrementally reinforcing the transmission cycle. The model conforms well to the ecological theory of adaptive radiation. PMID:24832452

Retracing the evolutionary path that led to flea-borne transmission of Yersinia pestis.

PubMed

Sun, Yi-Cheng; Jarrett, Clayton O; Bosio, Christopher F; Hinnebusch, B Joseph

2014-05-14

Yersinia pestis is an arthropod-borne bacterial pathogen that evolved recently from Yersinia pseudotuberculosis, an enteric pathogen transmitted via the fecal-oral route. This radical ecological transition can be attributed to a few discrete genetic changes from a still-extant recent ancestor, thus providing a tractable case study in pathogen evolution and emergence. Here, we determined the genetic and mechanistic basis of the evolutionary adaptation of Y. pestis to flea-borne transmission. Remarkably, only four minor changes in the bacterial progenitor, representing one gene gain and three gene losses, enabled transmission by flea vectors. All three loss-of-function mutations enhanced cyclic-di-GMP-mediated bacterial biofilm formation in the flea foregut, which greatly increased transmissibility. Our results suggest a step-wise evolutionary model in which Y. pestis emerged as a flea-borne clone, with each genetic change incrementally reinforcing the transmission cycle. The model conforms well to the ecological theory of adaptive radiation. Copyright © 2014 Elsevier Inc. All rights reserved.

The perfect food and the filth disease: milk-borne typhoid and epidemiological practice in late Victorian Britain.

PubMed

Steere-Williams, Jacob

2010-10-01

This article explores the initial set of epidemiological investigations in Victorian Britain that linked typhoid fever to milk from dairy cattle. Because Victorian epidemiologists first recognized the milk-borne route in outbreaks of typhoid fever, these investigations served as a model for later studies of milk-borne scarlet fever, diphtheria, and perhaps tuberculosis. By focusing on epidemiological practices conducted by Medical Inspectors at the Medical Department of the Local Government Board and Medical Officers of Health, I show that Victorian epidemiology was committed to field-based, observational methods that defined the professional nature of the discipline and its theories and practices. Epidemiological investigations of milk-borne typhoid heated up several important public health debates in the second half of the nineteenth century, and demonstrate how Victorian epidemiology was not solely wedded to examining population studies using statistical methods, as historians have typically argued, but also relied on observational case-tracing in individuals, animals, and even environments.

zeldovich-PLT: Zel'dovich approximation initial conditions generator

NASA Astrophysics Data System (ADS)

Eisenstein, Daniel; Garrison, Lehman

2016-05-01

zeldovich-PLT generates Zel'dovich approximation (ZA) initial conditions (i.e. first-order Lagrangian perturbation theory) for cosmological N-body simulations, optionally applying particle linear theory (PLT) corrections.

Few-body quark dynamics for doubly heavy baryons and tetraquarks

NASA Astrophysics Data System (ADS)

Richard, Jean-Marc; Valcarce, Alfredo; Vijande, Javier

2018-03-01

We discuss the adequate treatment of the three- and four-body dynamics for the quark model picture of double-charm baryons and tetraquarks. We stress that the variational and Born-Oppenheimer approximations give energies very close to the exact ones, while the diquark approximation might be somewhat misleading. The Hall-Post inequalities also provide very useful lower bounds that exclude the possibility of stable tetraquarks for some mass ratios and some color wave functions.

Environmental effects on long term behavior of composite laminates

NASA Astrophysics Data System (ADS)

Singhal, S. N.; Chamis, C. C.

Model equations are presented for approximate methods simulating the long-term behavior of composite materials and structures in hot/humid service environments. These equations allow laminate property upgradings with time, and can account for the effects of service environments on creep response. These methodologies are illustrated for various individual and coupled temperature/moisture, longitudinal/transverse, and composite material type cases. Creep deformation is noted to rise dramatically for cases of matrix-borne, but not of fiber-borne, loading in hot, humid environments; the coupled influence of temperature and moisture is greater than a mere combination of their individual influences.

Environmental effects on long term behavior of composite laminates

NASA Technical Reports Server (NTRS)

Singhal, S. N.; Chamis, C. C.

1992-01-01

Model equations are presented for approximate methods simulating the long-term behavior of composite materials and structures in hot/humid service environments. These equations allow laminate property upgradings with time, and can account for the effects of service environments on creep response. These methodologies are illustrated for various individual and coupled temperature/moisture, longitudinal/transverse, and composite material type cases. Creep deformation is noted to rise dramatically for cases of matrix-borne, but not of fiber-borne, loading in hot, humid environments; the coupled influence of temperature and moisture is greater than a mere combination of their individual influences.

Hadronic density of states from string theory.

PubMed

Pando Zayas, Leopoldo A; Vaman, Diana

2003-09-12

We present an exact calculation of the finite temperature partition function for the hadronic states corresponding to a Penrose-Güven limit of the Maldacena-Nùñez embedding of the N=1 super Yang-Mills (SYM) into string theory. It is established that the theory exhibits a Hagedorn density of states. We propose a semiclassical string approximation to the finite temperature partition function for confining gauge theories admitting a supergravity dual, by performing an expansion around classical solutions characterized by temporal windings. This semiclassical approximation reveals a hadronic energy density of states of a Hagedorn type, with the coefficient determined by the gauge theory string tension as expected for confining theories. We argue that our proposal captures primarily information about states of pure N=1 SYM theory, given that this semiclassical approximation does not entail a projection onto states of large U(1) charge.

Parameter estimation in nonlinear distributed systems - Approximation theory and convergence results

NASA Technical Reports Server (NTRS)

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

1988-01-01

An abstract approximation framework and convergence theory is described for Galerkin approximations applied to inverse problems involving nonlinear distributed parameter systems. Parameter estimation problems are considered and formulated as the minimization of a least-squares-like performance index over a compact admissible parameter set subject to state constraints given by an inhomogeneous nonlinear distributed system. The theory applies to systems whose dynamics can be described by either time-independent or nonstationary strongly maximal monotonic operators defined on a reflexive Banach space which is densely and continuously embedded in a Hilbert space. It is demonstrated that if readily verifiable conditions on the system's dependence on the unknown parameters are satisfied, and the usual Galerkin approximation assumption holds, then solutions to the approximating problems exist and approximate a solution to the original infinite-dimensional identification problem.

Iterative electromagnetic Born inversion applied to earth conductivity imaging

NASA Astrophysics Data System (ADS)

Alumbaugh, D. L.

1993-08-01

This thesis investigates the use of a fast imaging technique to deduce the spatial conductivity distribution in the earth from low frequency (less than 1 MHz), cross well electromagnetic (EM) measurements. The theory embodied in this work is the extension of previous strategies and is based on the Born series approximation to solve both the forward and inverse problem. Nonlinear integral equations are employed to derive the series expansion which accounts for the scattered magnetic fields that are generated by inhomogeneities embedded in either a homogenous or a layered earth. A sinusoidally oscillating, vertically oriented magnetic dipole is employed as a source, and it is assumed that the scattering bodies are azimuthally symmetric about the source dipole axis. The use of this model geometry reduces the 3-D vector problem to a more manageable 2-D scalar form. The validity of the cross well EM method is tested by applying the imaging scheme to two sets of field data. Images of the data collected at the Devine, Texas test site show excellent correlation with the well logs. Unfortunately there is a drift error present in the data that limits the accuracy of the results. A more complete set of data collected at the Richmond field station in Richmond, California demonstrates that cross well EM can be successfully employed to monitor the position of an injected mass of salt water. Both the data and the resulting images clearly indicate the plume migrates toward the north-northwest. The plausibility of these conclusions is verified by applying the imaging code to synthetic data generated by a 3-D sheet model.

The role of the first postmitotic cortical cells in the development of thalamocortical innervation in the reeler mouse.

PubMed

Molnár, Z; Adams, R; Goffinet, A M; Blakemore, C

1998-08-01

In the mutant mouse reeler, the tangential distribution of thalamocortical fibers is essentially normal, even though neurons of the cortical plate accumulate below the entire early-born preplate population (Caviness et al., 1998). This seems incompatible with the hypothesis that cells of the subplate (the lower component of the preplate in normal mammals) form an axonal scaffold that guides thalamic fibers and act as temporary targets for them (Blakemore and Molnár, 1990, Shatz et al., 1990). We used carbocyanine dyes to trace projections in wild-type and reeler mice between embryonic day 13 and postnatal day 3. Preplate formation and early extension of corticofugal fibers to form a topographic array are indistinguishable in the two phenotypes. So too are the emergence of thalamic axons in topographic order through the primitive internal capsule, their meeting with preplate axons, and their distribution over the preplate scaffold. Distinctive differences appear after the cortical plate begins to accumulate below the preplate of reeler, causing the preplate axons to form oblique fascicles, running through the cortical plate. Thalamic axons then pass through the plate within the same fascicles and accumulate in the "superplate" layer for approximately 2-3 d, before defasciculating and plunging down to terminate deep in the cortical plate, creating the curious "looping" pattern seen in the adult. Thus, thalamocortical innervation in reeler follows the same algorithm of development but in relation to the misplaced population of early-born neurons. Far from challenging the theory that preplate fibers guide thalamic axons, reeler provides strong evidence for it.

An approximation theory for nonlinear partial differential equations with applications to identification and control

NASA Technical Reports Server (NTRS)

Banks, H. T.; Kunisch, K.

1982-01-01

Approximation results from linear semigroup theory are used to develop a general framework for convergence of approximation schemes in parameter estimation and optimal control problems for nonlinear partial differential equations. These ideas are used to establish theoretical convergence results for parameter identification using modal (eigenfunction) approximation techniques. Results from numerical investigations of these schemes for both hyperbolic and parabolic systems are given.

ɛ-connectedness, finite approximations, shape theory and coarse graining in hyperspaces

NASA Astrophysics Data System (ADS)

Alonso-Morón, Manuel; Cuchillo-Ibanez, Eduardo; Luzón, Ana

2008-12-01

We use upper semifinite hyperspaces of compacta to describe ε-connectedness and to compute homology from finite approximations. We find a new connection between ε-connectedness and the so-called Shape Theory. We construct a geodesically complete R-tree, by means of ε-components at different resolutions, whose behavior at infinite captures the topological structure of the space of components of a given compact metric space. We also construct inverse sequences of finite spaces using internal finite approximations of compact metric spaces. These sequences can be converted into inverse sequences of polyhedra and simplicial maps by means of what we call the Alexandroff-McCord correspondence. This correspondence allows us to relate upper semifinite hyperspaces of finite approximation with the Vietoris-Rips complexes of such approximations at different resolutions. Two motivating examples are included in the introduction. We propose this procedure as a different mathematical foundation for problems on data analysis. This process is intrinsically related to the methodology of shape theory. This paper reinforces Robins’s idea of using methods from shape theory to compute homology from finite approximations.

Disparities in vaccinations and cancer screening among U.S.- and foreign-born Arab and European American non-Hispanic White women.

PubMed

Dallo, Florence J; Kindratt, Tiffany B

2015-01-01

Disparities in vaccinations and cancer screening exist when comparing foreign-born and U.S.-born women collectively and disaggregated by race and ethnicity. The purpose of this study was to estimate and compare the age-adjusted prevalence of not receiving a flu or pneumonia vaccine, clinical breast examination, mammogram or Pap smear among U.S.- and foreign-born White women by region of birth and examine associations while controlling for potential confounders. We pooled 12 years of National Health Interview Survey data (n = 117,893). To approximate an "Arab-American" ethnicity, we identified 15 "Arab" countries from the Middle East region that comprise the Arab Nations. Data was requested from the National Center for Health Statistics Research Data Center. We used the χ(2) statistic to compare descriptive statistics and odds ratios (ORs) with 95% CIs were used for inferential statistics. Compared to U.S.-born, foreign-born Whites from the Arab Nations had higher estimates of not receiving recommended vaccinations and cancer screenings. In crude and adjusted analyses, foreign-born Arab-American women were less likely to report receiving a flu vaccine (OR, 0.34; 95% CI, 0.21-0.58), pneumonia vaccine (OR, 0.14; 95% CI, 0.06-0.32), Pap smear (OR, 0.13; 95% CI, 0.05-0.31), or clinical breast examination (OR, 0.16; 95% CI, 0.07-0.37) compared with U.S.-born White women. There were no differences for mammography. This national study examining uptake of flu and pneumonia vaccines and preventive cancer screenings suggests that estimates are lower for foreign-born Arab-American women compared with U.S.-born White women. Future studies should collect qualitative data that assess the cultural context surrounding prevention and screening behaviors among Arab-American women. Copyright © 2015 Jacobs Institute of Women's Health. Published by Elsevier Inc. All rights reserved.

The Influence of Hispanic Ethnicity and Nativity Status on 2009 H1N1 Pandemic Vaccination Uptake in the United States.

PubMed

Burger, Andrew E; Reither, Eric N; Hofmann, Erin Trouth; Mamelund, Svenn-Erik

2018-06-01

Previous research suggests Hispanic vaccination rates for H1N1 were similar to non-Hispanic whites. These previous estimates do not take into account nativity status. Using the 2010 National Health Interview Survey, we estimate adult H1N1 vaccination rates for non-Hispanic whites (n = 8780), U.S.-born Hispanics (n = 1142), and foreign-born Hispanics (n = 1912). To test Fundamental Cause Theory, we estimate odds of H1N1 vaccination while controlling for flexible resources (e.g., educational and economic capital), ethnicity, and nativity status. Foreign-born Hispanics experienced the lowest rates of H1N1 vaccination (15%), followed by U.S.-born Hispanics (18%) and non-Hispanic whites (21%). Regression models show odds of H1N1 vaccination did not differ among these three groups after controlling for sociodemographic characteristics. Insufficient access to flexible resources and healthcare coverage among foreign-born Hispanics was responsible for relatively low rates of H1N1 vaccination. Addressing resource disparities among Hispanics could increase vaccination uptake in the future, reducing inequities in disease burden.

Testicular cancer risk and maternal parity: a population-based cohort study.

PubMed

Westergaard, T; Andersen, P K; Pedersen, J B; Frisch, M; Olsen, J H; Melbye, M

1998-04-01

The aim was to study, in a population-based cohort design, whether first-born sons run a higher risk of testicular cancer than later born sons; to investigate whether this difference in risk was affected by birth cohort, age of the son, maternal age, interval to previous delivery and other reproductive factors; and, finally, to evaluate to what extent changes in women's parity over time might explain the increasing incidence of testicular cancer. By using data from the Civil Registration System, a database was established of all women born in Denmark since 1935 and all their children alive in 1968 or born later. Sons with testicular cancer were identified in the Danish Cancer Registry. Among 1015994 sons followed for 15981 967 person-years, 626 developed testicular cancer (443 non-seminomas, 183 seminomas). Later born sons had a decreased risk of testicular cancer (RR = 0.80, 95% CI = 0.67-0.95) compared with first-born sons. The RR was 0.79 (95% CI = 0.64-0.98) for non-seminomas and 0.81 (95% CI = 0.58-1.13) for seminomas. There was no association between testicular cancer risk and overall parity of the mother, maternal or paternal age at the birth of the son, or maternal age at first birth. The decreased risk of testicular cancer among later born sons was not modified by age, birth cohort, interval to the previous birth, sex of the first-born child, or maternal age at birth of the son or at first birth. The increased proportion of first-borns from birth cohort 1946 to birth cohort 1969 only explained around 3% of an approximated two-fold increase in incidence between the cohorts. Our data document a distinctly higher risk of testicular cancer in first-born compared with later born sons and suggest that the most likely explanation should be sought among exposures in utero. The increase in the proportion of first-borns in the population has only contributed marginally to the increase in testicular cancer incidence.

Two-body perturbation theory versus first order perturbation theory: A comparison based on the square-well fluid.

PubMed

Mercier Franco, Luís Fernando; Castier, Marcelo; Economou, Ioannis G

2017-12-07

We show that the Zwanzig first-order perturbation theory can be obtained directly from a truncated Taylor series expansion of a two-body perturbation theory and that such truncation provides a more accurate prediction of thermodynamic properties than the full two-body perturbation theory. This unexpected result is explained by the quality of the resulting approximation for the fluid radial distribution function. We prove that the first-order and the two-body perturbation theories are based on different approximations for the fluid radial distribution function. To illustrate the calculations, the square-well fluid is adopted. We develop an analytical expression for the two-body perturbed Helmholtz free energy for the square-well fluid. The equation of state obtained using such an expression is compared to the equation of state obtained from the first-order approximation. The vapor-liquid coexistence curve and the supercritical compressibility factor of a square-well fluid are calculated using both equations of state and compared to Monte Carlo simulation data. Finally, we show that the approximation for the fluid radial distribution function given by the first-order perturbation theory provides closer values to the ones calculated via Monte Carlo simulations. This explains why such theory gives a better description of the fluid thermodynamic behavior.

[Evaluation of language at 6 years in children born prematurely without cerebral palsy: prospective study of 55 children].

PubMed

Charollais, A; Stumpf, M-H; Beaugrand, D; Lemarchand, M; Radi, S; Pasquet, F; Khomsi, A; Marret, S

2010-10-01

Very premature birth carries a high risk of neurocognitive disabilities and learning disorders. Acquiring sufficient speech skills is crucial to good school performance. A prospective study was conducted in 2006 to evaluate speech development in 55 children born very prematurely in 2000 at the Rouen Teaching Hospital (Rouen, France), free of cerebral palsy, compared to 6-year-old born at full term. A computerized speech assessment tool was used (Bilan Informatisé du Langage Oral, BILO II). In the premature-birth group, 49 % of 6-year-old had at least 1 score below the 25th percentile on 1 of the 8 BILO II tests. Significant speech impairments were noted for 2 components of speech, namely, comprehension and phonology. Oral comprehension scores no higher than the 10th percentile were obtained by 23 % of prematurely born children (P<0.02 vs controls). On word repetition tasks used to test phonology, 21 % of prematurely born children obtained scores no higher than the 10th percentile (P<0.01 vs controls). An evaluation of sensorimotor language prerequisites (constraints) in 30 of the 55 prematurely born children showed significant differences with the controls for word memory, visual attention, and buccofacial praxis. The speech development impairments found in 6-year-old born very prematurely suggest a distinctive pattern of neurodevelopmental dysfunction that is consistent with the motor theory of speech perception. Copyright © 2010 Elsevier Masson SAS. All rights reserved.

R A Fisher, design theory, and the Indian connection.

PubMed

Rau, A R P

2009-09-01

Design Theory, a branch of mathematics, was born out of the experimental statistics research of the population geneticist R A Fisher and of Indian mathematical statisticians in the 1930s. The field combines elements of combinatorics, finite projective geometries, Latin squares, and a variety of further mathematical structures, brought together in surprising ways. This essay will present these structures and ideas as well as how the field came together, in itself an interesting story.

Strong Field Theories beyond Dipole Approximations in Nonrelativistic Regimes

NASA Astrophysics Data System (ADS)

He, Pei-Lun; Lao, Di; He, Feng

2017-04-01

The exact nondipole Volkov solutions to the Schrödinger equation and Pauli equation are found, based on which a strong field theory beyond the dipole approximation is built for describing the nondipole effects in nonrelativistic laser driven electron dynamics. This theory is applied to investigate momentum partition laws for multiphoton and tunneling ionization and explicitly shows that the complex interplay of a laser field and Coulomb action may reverse the expected photoelectron momentum along the laser propagation direction. The magnetic-spin coupling does not bring observable effects on the photoelectron momentum distribution and can be neglected. Compared to the strong field approximation within the dipole approximation, this theory works in a much wider range of laser parameters and lays a solid foundation for describing nonrelativistic electron dynamics in both short wavelength and midinfrared regimes where nondipole effects are unavoidable.

Students' Moral Reasoning as Related to Cultural Background and Educational Experience.

ERIC Educational Resources Information Center

Bar-Yam, Miriam; And Others

The relationship between moral development and cultural and educational background is examined. Approximately 120 Israeli youth representing different social classes, sex, religious affiliation, and educational experience were interviewed. The youth interviewed included urban middle and lower class students, Kibbutz-born, Youth Aliyah…

Research notes : pavement markings using waterborne paint and Visibeads in Region 2.

DOT National Transportation Integrated Search

1995-01-01

In order to address the problems associated with solvent-borne patins, ODOT Region 2 staff bought sufficient waterborne paint to place approximately 760 linear miles of stripes. This enabled the Region staff to evaluate state-of-the-art materials and...

Aharonov-Casher effect and quantum transport in graphene based nano rings: A self-consistent Born approximation

NASA Astrophysics Data System (ADS)

Ghaderzadeh, A.; Rahbari, S. H. Ebrahimnazhad; Phirouznia, A.

2018-03-01

In this study, Rashba coupling induced Aharonov-Casher effect in a graphene based nano ring is investigated theoretically. The graphene based nano ring is considered as a central device connected to semi-infinite graphene nano ribbons. In the presence of the Rashba spin-orbit interaction, two armchair shaped edge nano ribbons are considered as semi-infinite leads. The non-equilibrium Green's function approach is utilized to obtain the quantum transport characteristics of the system. The relaxation and dephasing mechanisms within the self-consistent Born approximation is scrutinized. The Lopez-Sancho method is also applied to obtain the self-energy of the leads. We unveil that the non-equilibrium current of the system possesses measurable Aharonov-Casher oscillations with respect to the Rashba coupling strength. In addition, we have observed the same oscillations in dilute impurity regimes in which amplitude of the oscillations is shown to be suppressed as a result of the relaxations.

Electron-impact ionization of Ne (2 p ) and Ar (3 p ) at intermediate energies: Role of the postcollision interaction

NASA Astrophysics Data System (ADS)

Hu, Xiaoqing; Gao, Cong-Zhang; Chen, Zhanbin; Wang, Jianguo; Wu, Yong; Wang, Yang

2017-11-01

We present the absolute triple differential cross section (TDCS) for single ionization of Ne (2 p ) at an impact energy of 599.6 eV and Ar (3 p ) at 195 eV. The role of the postcollision interaction (PCI) is studied using a high-order distorted-wave Born approximation model with a continuum distorted-waves expansion. Both the second- and third-order effects are considered in the present calculations, and the third-order distorted wave Born approximation model is reported in the (e ,2 e ) reaction. The calculated results show satisfactory agreement with experimental data. The magnitude of the absolute TDCS is enhanced by a factor 2-3 when the strength factor γ of the PCI amplitude is summarized just from 0 to 2. This proves that the PCI plays an important role in the absolute TDCS of the (e ,2 e ) reaction in the intermediate-energy region.

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

NASA Technical Reports Server (NTRS)

Gibson, J. S.; Adamian, A.

1988-01-01

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

Binary collision approximations for the memory function for density fluctuations in equilibrium atomic liquids

NASA Astrophysics Data System (ADS)

Noah, Joyce E.

Time correlation functions of density fluctuations of liquids at equilibrium can be used to relate the microscopic dynamics of a liquid to its macroscopic transport properties. Time correlation functions are especially useful since they can be generated in a variety of ways, from scattering experiments to computer simulation to analytic theory. The kinetic theory of fluctuations in equilibrium liquids is an analytic theory for calculating correlation functions using memory functions. In this work, we use a diagrammatic formulation of the kinetic theory to develop a series of binary collision approximations for the collisional part of the memory function. We define binary collisions as collisions between two distinct density fluctuations whose identities are fixed during the duration of a collsion. R approximations are for the short time part of the memory function, and build upon the work of Ranganathan and Andersen. These approximations have purely repulsive interactions between the fluctuations. The second type of approximation, RA approximations, is for the longer time part of the memory function, where the density fluctuations now interact via repulsive and attractive forces. Although RA approximations are a natural extension of R approximations, they permit two density fluctuations to become trapped in the wells of the interaction potential, leading to long-lived oscillatory behavior, which is unphysical. Therefore we consider S approximations which describe binary particles which experience the random effect of the surroundings while interacting via repulsive or repulsive and attractive interactions. For each of these approximations for the memory function we numerically solve the kinetic equation to generate correlation functions. These results are compared to molecular dynamics results for the correlation functions. Comparing the successes and failures of the different approximations, we conclude that R approximations give more accurate intermediate and long time results while RA and S approximations do particularly well at predicting the short time behavior. Lastly, we also develop a series of non-graphically derived approximations and use an optimization procedure to determine the underlying memory function from the simulation data. These approaches provide valuable information about the memory function that will be used in the development of future kinetic theories.

Approximations of Two-Attribute Utility Functions

DTIC Science & Technology

1976-09-01

preferred to") be a bina-zy relation on the set • of simple probability measures or ’gambles’ defined on a set T of consequences. Throughout this study it...simplifying independence assumptions. Although there are several approaches to this problem, the21 present study will focus on approximations of u... study will elicit additional interest in the topic. 2. REMARKS ON APPROXIMATION THEORY This section outlines a few basic ideas of approximation theory

An approximation theory for the identification of linear thermoelastic systems

NASA Technical Reports Server (NTRS)

Rosen, I. G.; Su, Chien-Hua Frank

1990-01-01

An abstract approximation framework and convergence theory for the identification of thermoelastic systems is developed. Starting from an abstract operator formulation consisting of a coupled second order hyperbolic equation of elasticity and first order parabolic equation for heat conduction, well-posedness is established using linear semigroup theory in Hilbert space, and a class of parameter estimation problems is then defined involving mild solutions. The approximation framework is based upon generic Galerkin approximation of the mild solutions, and convergence of solutions of the resulting sequence of approximating finite dimensional parameter identification problems to a solution of the original infinite dimensional inverse problem is established using approximation results for operator semigroups. An example involving the basic equations of one dimensional linear thermoelasticity and a linear spline based scheme are discussed. Numerical results indicate how the approach might be used in a study of damping mechanisms in flexible structures.

General relativistic corrections to the weak lensing convergence power spectrum

NASA Astrophysics Data System (ADS)

Giblin, John T.; Mertens, James B.; Starkman, Glenn D.; Zentner, Andrew R.

2017-11-01

We compute the weak lensing convergence power spectrum, Cℓκκ, in a dust-filled universe using fully nonlinear general relativistic simulations. The spectrum is then compared to more standard, approximate calculations by computing the Bardeen (Newtonian) potentials in linearized gravity and partially utilizing the Born approximation. We find corrections to the angular power spectrum amplitude of order ten percent at very large angular scales, ℓ˜2 - 3 , and percent-level corrections at intermediate angular scales of ℓ˜20 - 30 .

Positronium formation in e+ plus H- collisions

NASA Technical Reports Server (NTRS)

Straton, Jack C.; Drachman, Richard J.

1990-01-01

Cross sections for positronium formation by capture from the negative hydrogen ion are given. Orthogonalization corrections to the Coulomb (First) Born Approximation (CBA) differential and total cross sections are calculated using approximate H- wave functions of both Lowdin and Chandrasekhar. Various methods of orthogonalizing the unbound projectile to the possible bound states are considered. It is found that treating the atomic nuclei as if they were isotopic spin projections of a single type of nucleon gives cross sections that are an improvement over the CBA.

Unifying relations for scattering amplitudes

NASA Astrophysics Data System (ADS)

Cheung, Clifford; Shen, Chia-Hsien; Wen, Congkao

2018-02-01

We derive new amplitudes relations revealing a hidden unity among a wideranging variety of theories in arbitrary spacetime dimensions. Our results rely on a set of Lorentz invariant differential operators which transmute physical tree-level scattering amplitudes into new ones. By transmuting the amplitudes of gravity coupled to a dilaton and two-form, we generate all the amplitudes of Einstein-Yang-Mills theory, Dirac-Born-Infield theory, special Galileon, nonlinear sigma model, and biadjoint scalar theory. Transmutation also relates amplitudes in string theory and its variants. As a corollary, celebrated aspects of gluon and graviton scattering like color-kinematics duality, the KLT relations, and the CHY construction are inherited traits of the transmuted amplitudes. Transmutation recasts the Adler zero as a trivial consequence of the Weinberg soft theorem and implies new subleading soft theorems for certain scalar theories.

The African Heritage in Spanish Caribbean Literature.

ERIC Educational Resources Information Center

Smart, Ian I.

1981-01-01

Uses Fanon's concept of the Manichean colonial situation and his Dialectical Theory of Identification to explore images of African heritage in the works of two mulatto Cuban poets, Gabriel de la Concepcion Valdez (1809-1844) and Nicolas Guillen (born 1902). (GC)

Freundlich, Erwin Finlay (1885-1964)

NASA Astrophysics Data System (ADS)

Murdin, P.

2000-11-01

Born in Biebrich, Germany, collaborator with EINSTEIN, making measurements (successfully) of Mercury's orbit and the gravitational redshift (unsuccessfully) to confirm the general theory of relativity. Fled Nazi Germany to become the Napier Professor of Astronomy at the University of St Andrews in Scotland....

THE MECHANISM OF AERIAL DISINFECTION BY GLYCOLS AND OTHER CHEMICAL AGENTS

PubMed Central

Puck, Theodore T.

1947-01-01

Theoretical analysis of the mechanism of action of chemical aerial disinfectants reveals that the rapid killing action which is obtained cannot be accounted for by a collision process between germicidal aerosol particles and the air-borne bacteria. However, a mechanism involving condensation of germicide molecules in the vapor state on to the bacteria-containing droplets results in a theoretical velocity of the correct order of magnitude. Experimental tests of this theory show that pure germicide vapors free of aerosol droplets are almost instantly lethal to air-borne bacteria. Conversely, pure germicidal aerosols in the absence of vapor, had no effect on air-borne bacteria within 20 minutes or more. Therefore, it may be concluded on both theoretical and experimental grounds that rapid air sterilization requires the existence of the germicide in the vapor state. PMID:19871646

Dynamical discrete/continuum linear response shells theory of solvation: convergence test for NH4+ and OH- ions in water solution using DFT and DFTB methods.

PubMed

de Lima, Guilherme Ferreira; Duarte, Hélio Anderson; Pliego, Josefredo R

2010-12-09

A new dynamical discrete/continuum solvation model was tested for NH(4)(+) and OH(-) ions in water solvent. The method is similar to continuum solvation models in a sense that the linear response approximation is used. However, different from pure continuum models, explicit solvent molecules are included in the inner shell, which allows adequate treatment of specific solute-solvent interactions present in the first solvation shell, the main drawback of continuum models. Molecular dynamics calculations coupled with SCC-DFTB method are used to generate the configurations of the solute in a box with 64 water molecules, while the interaction energies are calculated at the DFT level. We have tested the convergence of the method using a variable number of explicit water molecules and it was found that even a small number of waters (as low as 14) are able to produce converged values. Our results also point out that the Born model, often used for long-range correction, is not reliable and our method should be applied for more accurate calculations.

Optical observations on the CRIT-II Critical Ionization Velocity Experiment

NASA Technical Reports Server (NTRS)

Stenbaek-Nielsen, H. C.; Wescott, E. M.; Haerendel, G.; Valenzuela, A.

1990-01-01

A rocket borne Critical Ionization Velocity (CIV0 experiment was carried out from Wallops Island at dusk on May 4, 1989. Two barium shaped charges were released below the solar terminator (to prevent photoionization) at altitudes near 400 km. The ambient ionospheric electron density was 50,000/cu cm. The neutral barium jet was directed upward and at an angle of nominally 45 degrees to B which gives approximately 3 x 10 to the 23rd neutrals with super critical velocity. Ions created by a CIV process in the region of the neutral jet would travel up along B into sunlight where they can be detected optically. Well defined ion clouds (max. brightness 750 R) were observed in both releases. An ionization rate of 0.8 percent/sec (125 sec ionization time constant) can account for the observed ion cloud near the release field line, but the ionization rate falls off with increasing distance from the release. It is concluded that a CIV process was present in the neutral jet out to about 50 km from the release, which is significantly further than allowed by current theories.

Application of theoretical models to active and passive remote sensing of saline ice

NASA Technical Reports Server (NTRS)

Han, H. C.; Kong, Jin AU; Shin, Robert T.; Nghiem, Son V.; Kwok, R.

1992-01-01

The random medium model is used to interpret the polarimetric active and passive measurements of saline ice. The ice layer is described as a host ice medium embedded with randomly distributed inhomogeneities, and the underlying sea water is considered as a homogeneous half-space. The scatterers in the ice layer are modeled with an ellipsoidal correlation function. The orientation of the scatterers is vertically aligned and azimuthally random. The strong permittivity fluctuation theory is employed to calculate the effective permittivity and the distorted Born approximation is used to obtain the polarimetric scattering coefficients. We also calculate the thermal emissions based on the reciprocity and energy conservation principles. The effects of the random roughness at the air-ice, and ice-water interfaces are accounted for by adding the surface scattering to the volume scattering return incoherently. The above theoretical model, which has been successfully applied to analyze the radar backscatter data of the first-year sea ice near Point Barrow, AK, is used to interpret the measurements performed in the CRRELEX program.

Highly parallel implementation of non-adiabatic Ehrenfest molecular dynamics

NASA Astrophysics Data System (ADS)

Kanai, Yosuke; Schleife, Andre; Draeger, Erik; Anisimov, Victor; Correa, Alfredo

2014-03-01

While the adiabatic Born-Oppenheimer approximation tremendously lowers computational effort, many questions in modern physics, chemistry, and materials science require an explicit description of coupled non-adiabatic electron-ion dynamics. Electronic stopping, i.e. the energy transfer of a fast projectile atom to the electronic system of the target material, is a notorious example. We recently implemented real-time time-dependent density functional theory based on the plane-wave pseudopotential formalism in the Qbox/qb@ll codes. We demonstrate that explicit integration using a fourth-order Runge-Kutta scheme is very suitable for modern highly parallelized supercomputers. Applying the new implementation to systems with hundreds of atoms and thousands of electrons, we achieved excellent performance and scalability on a large number of nodes both on the BlueGene based ``Sequoia'' system at LLNL as well as the Cray architecture of ``Blue Waters'' at NCSA. As an example, we discuss our work on computing the electronic stopping power of aluminum and gold for hydrogen projectiles, showing an excellent agreement with experiment. These first-principles calculations allow us to gain important insight into the the fundamental physics of electronic stopping.

Plateau-Plateau Transitions in Disordered Topological Chern Insulators

NASA Astrophysics Data System (ADS)

Su, Ying; Avishai, Yshai; Wang, Xiangrong

Occurrence of the topological Anderson insulator (TAI) in the HgTe quantum well demonstrates that topological phase transition can be driven by disorder, where re-entrant 2e2 / h quantized conductance is contributed by helical edge states. Within a certain extension of the disordered Kane-Mele model for magnetic materials that violate time-reversal symmetry and inversion symmetry, it is shown that the physics of TAI becomes even richer due to lifted spin and valley degeneracies. Tuning either disorder or Fermi energy (in both topologically trivial and nontrivial phases) makes it possible to drive plateau-plateau transitions between distinct TAI phases characterized by different Chern numbers, marked by jumps of the quantized conductance from 0 to e2 / h and from e2 / h to 2e2 / h . An effective medium theory based on the Born approximation yields an accurate description of different TAI phases in parameter space. This work is supported by NSF of China Grant (No. 11374249) and Hong Kong RGC Grants (No. 163011151 and No. 605413). The research of Y.A. is partially supported by Israel Science Foundation Grant No. 400/2012.

Ab initio 27Al NMR chemical shifts and quadrupolar parameters for Al2O3 phases and their precursors

NASA Astrophysics Data System (ADS)

Ferreira, Ary R.; Küçükbenli, Emine; Leitão, Alexandre A.; de Gironcoli, Stefano

2011-12-01

The gauge-including projector augmented wave (GIPAW) method, within the density functional theory (DFT) generalized gradient approximation (GGA) framework, is applied to compute solid state NMR parameters for 27Al in the α, θ, and κ aluminium oxide phases and their gibbsite and boehmite precursors. The results for well established crystalline phases compare very well with available experimental data and provide confidence in the accuracy of the method. For γ-alumina, four structural models proposed in the literature are discussed in terms of their ability to reproduce the experimental spectra also reported in the literature. Among the considered models, the Fd3¯m structure proposed by Paglia [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.71.224115 71, 224115 (2005)] shows the best agreement. We attempt to link the theoretical NMR parameters to the local geometry. Chemical shifts depend on coordination number but no further correlation is found with geometrical parameters. Instead, our calculations reveal that, within a given coordination number, a linear correlation exists between chemical shifts and Born effective charges.

Development of a Coherent Bistatic Vegetation Model for Signal of Opportunity Applications at VHF UHF-Bands

NASA Technical Reports Server (NTRS)

Kurum, Mehmet; Deshpande, Manohar; Joseph, Alicia T.; O'Neill, Peggy E.; Lang, Roger H.; Eroglu, Orhan

2017-01-01

A coherent bistatic vegetation scattering model, based on a Monte Carlo simulation, is being developed to simulate polarimetric bi-static reflectometry at VHF/UHF-bands (240-270 MHz). The model is aimed to assess the value of geostationary satellite signals of opportunity to enable estimation of the Earth's biomass and root-zone soil moisture. An expression for bistatic scattering from a vegetation canopy is derived for the practical case of a ground-based/low altitude platforms with passive receivers overlooking vegetation. Using analytical wave theory in conjunction with distorted Born approximation (DBA), the transmit and receive antennas effects (i.e., polarization, orientation, height, etc.) are explicitly accounted for. Both the coherency nature of the model (joint phase and amplitude information) and the explicit account of system parameters (antenna, altitude, polarization, etc) enable one to perform various beamforming techniques to evaluate realistic deployment configurations. In this paper, several test scenarios will be presented and the results will be evaluated for feasibility for future biomass and root-zone soil moisture application using geostationary communication satellite signals of opportunity at low frequencies.

Metal-insulator transition in AlxGa1-xAs/GaAs heterostructures with large spacer width

NASA Astrophysics Data System (ADS)

Gold, A.

1991-10-01

Analytical results are presented for the mobility of a two-dimensional electron gas in a heterostructure with a thick spacer layer α. Due to multiple-scattering effects a metal-insulator transition occurs at a critical electron density Nc=N1/2i/(4π1/2α) (Ni is the impurity density). The transport mean free path l(t) (calculated in Born approximation) at the metal-insulator transition is l(t)c=2α. A localization criterion in terms of the renormalized single-particle mean free path l(sr) is presented: kFcl(sr)c=(1/2)1/2 (kFc is the Fermi wave number at the critical density). I compare the theoretical results with recent experimental results found in AlxGa1-xAs/GaAs heterostructures with large spacer width: 1200<α<2800 Å. Remote impurity doping and homogeneous background doping are considered. The only fitting parameter used for the theoretical results is the background doping density NB=6×1013 cm-3. My theory is in fair agreement with the experimental results.

The role of high-level calculations in the assignment of the Q-band spectra of chlorophyll

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

Reimers, Jeffrey R.; Cai, Zheng-Li; Kobayashi, Rika

2014-10-06

We recently established a novel assignment of the visible absorption spectrum of chlorophyll-a that sees the two components Q{sub x} and Q{sub y} of the low-energy Q band as being intrinsically mixed by non-adiabatic coupling. This ended 50 years debate as to the nature of the Q bands, with prior discussion poised only in the language of the Born-Oppenheimer and Condon approximations. The new assignment presents significant ramifications for exciton transport and quantum coherence effects in photosystems. Results from state of the art electronic structure calculations have always been used to justify assignments, but quantitative inaccuracies and systematic failures havemore » historically limited usefulness. We examine the role of CAM-B3LYP time-dependent density-functional theory (TD-DFT) and Symmetry Adapted Cluster-Configuration Interaction (SAC-CI) calculations in first showing that all previous assignments were untenable, in justifying the new assignment, in making some extraordinary predictions that were vindicated by the new assignment, and in then identifying small but significant anomalies in the extensive experimental data record.« less

Moving Towards a State of the Art Charge-Exchange Reaction Code

NASA Astrophysics Data System (ADS)

Poxon-Pearson, Terri; Nunes, Filomena; Potel, Gregory

2017-09-01

Charge-exchange reactions have a wide range of applications, including late stellar evolution, constraining the matrix elements for neutrinoless double β-decay, and exploring symmetry energy and other aspects of exotic nuclear matter. Still, much of the reaction theory needed to describe these transitions is underdeveloped and relies on assumptions and simplifications that are often extended outside of their region of validity. In this work, we have begun to move towards a state of the art charge-exchange reaction code. As a first step, we focus on Fermi transitions using a Lane potential in a few body, Distorted Wave Born Approximation (DWBA) framework. We have focused on maintaining a modular structure for the code so we can later incorporate complications such as nonlocality, breakup, and microscopic inputs. Results using this new charge-exchange code will be shown compared to the analysis in for the case of 48Ca(p,n)48Sc. This work was supported in part by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through the U.S. DOE Cooperative Agreement No. DE- FG52-08NA2855.

Theoretical investigation of the magnetoelectric properties of Bi2NiTiO6

NASA Astrophysics Data System (ADS)

Patra, Lokanath; Ravindran, P.

2018-04-01

We report the first principle investigations on the structural, electronic, magnetic and ferroelectric properties of a Pb free double perovskite multiferroic Bi2NiTiO6 using density functional theory within the general gradient approximation (GGA) and GGA+U method. Our results show that Bi2NiTiO6 will be an insulator with G-type magnetic ordering in its ground state with Ni2+ in a high spin state and a spin moment of 1.741μB. The paraelectric phase stabilizes in nonmagnetic state with Ni2+ in low spin configuration showing that spin state transition plays an important role in strong magnetoelectric coupling in Bi2NiTiO6. The bonding characteristics of the constituents are analyzed with the help of partial density of states and Born effective charges. The presence of Ti ions at Ni sites suppresses the disproportionation observed in case of BiNiO3 and results in a noncentrosymmetric crystal structure. The coexistence of Bi 6s lone pair and Ti4+ d0 ions which brings covalency produces a polarization of 32 µCcm-2.

Generalized anxiety disorder in racial and ethnic minorities: a case of nativity and contextual factors.

PubMed

Budhwani, Henna; Hearld, Kristine Ria; Chavez-Yenter, Daniel

2015-04-01

Minorities comprise more than one third of the U.S., and research on the correlates and causes of depression, anxiety, and other mental illnesses have yielded mixed results in minority groups necessitating an understanding of causes and correlates of health. Thus, the aim of this paper is to evaluate the relationship between minority status, contextual factors, and lifetime Generalized Anxiety Disorder. Logistic regression models were implemented, comparing immigrants to their American-born counterparts as well as to American-born Whites. Foreign-born Afro-Caribbeans exhibited lower rates of lifetime GAD. A lower percentage of foreign-born minorities met the criteria for GAD as compared to their American-born counterparts, and all racial and ethnic groups met the criteria for lifetime GAD at a lower rate as compared to American-born Whites. By using theory proactively and including contextual factors, this multi-faceted approach to health disparities research yielded findings which both supported historic beliefs but created opportunities for supplemental research looking at immigrants and GAD. Key findings were that health lifestyle choices and exposure to discrimination significantly affected the chance of having GAD. Nativity was protective; however, its effect was ameliorated by exposure to discrimination or engagement in alcohol abuse. Thus, this study offers practical insight into environmental factors for clinicians caring for racial and ethnic minorities diagnosed with GAD. Copyright © 2015 Elsevier B.V. All rights reserved.

Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas

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

Baldsiefen, Tim; Cangi, Attila; Eich, F. G.

Here, we derive an intrinsically temperature-dependent approximation to the correlation grand potential for many-electron systems in thermodynamical equilibrium in the context of finite-temperature reduced-density-matrix-functional theory (FT-RDMFT). We demonstrate its accuracy by calculating the magnetic phase diagram of the homogeneous electron gas. We compare it to known limits from highly accurate quantum Monte Carlo calculations as well as to phase diagrams obtained within existing exchange-correlation approximations from density functional theory and zero-temperature RDMFT.

Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas

DOE PAGES

Baldsiefen, Tim; Cangi, Attila; Eich, F. G.; ...

2017-12-18

Here, we derive an intrinsically temperature-dependent approximation to the correlation grand potential for many-electron systems in thermodynamical equilibrium in the context of finite-temperature reduced-density-matrix-functional theory (FT-RDMFT). We demonstrate its accuracy by calculating the magnetic phase diagram of the homogeneous electron gas. We compare it to known limits from highly accurate quantum Monte Carlo calculations as well as to phase diagrams obtained within existing exchange-correlation approximations from density functional theory and zero-temperature RDMFT.

The fading American dream: Trends in absolute income mobility since 1940.

PubMed

Chetty, Raj; Grusky, David; Hell, Maximilian; Hendren, Nathaniel; Manduca, Robert; Narang, Jimmy

2017-04-28

We estimated rates of "absolute income mobility"-the fraction of children who earn more than their parents-by combining data from U.S. Census and Current Population Survey cross sections with panel data from de-identified tax records. We found that rates of absolute mobility have fallen from approximately 90% for children born in 1940 to 50% for children born in the 1980s. Increasing Gross Domestic Product (GDP) growth rates alone cannot restore absolute mobility to the rates experienced by children born in the 1940s. However, distributing current GDP growth more equally across income groups as in the 1940 birth cohort would reverse more than 70% of the decline in mobility. These results imply that reviving the "American dream" of high rates of absolute mobility would require economic growth that is shared more broadly across the income distribution. Copyright © 2017, American Association for the Advancement of Science.

The Hartree product and the description of local and global quantities in atomic systems: A study within Kohn-Sham theory

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

Garza, Jorge; Nichols, Jeffrey A.; Dixon, David A.

2000-01-15

The Hartree product is analyzed in the context of Kohn-Sham theory. The differential equations that emerge from this theory are solved with the optimized effective potential using the Krieger, Li, and Iafrate approximation, in order to get a local potential as required by the ordinary Kohn-Sham procedure. Because the diagonal terms of the exact exchange energy are included in Hartree theory, it is self-interaction free and the exchange potential has the proper asymptotic behavior. We have examined the impact of this correct asymptotic behavior on local and global properties using this simple model to approximate the exchange energy. Local quantities,more » such as the exchange potential and the average local electrostatic potential are used to examine whether the shell structure in an atom is revealed by this theory. Global quantities, such as the highest occupied orbital energy (related to the ionization potential) and the exchange energy are also calculated. These quantities are contrasted with those obtained from calculations with the local density approximation, the generalized gradient approximation, and the self-interaction correction approach proposed by Perdew and Zunger. We conclude that the main characteristics in an atomic system are preserved with the Hartree theory. In particular, the behavior of the exchange potential obtained in this theory is similar to those obtained within other Kohn-Sham approximations. (c) 2000 American Institute of Physics.« less

Receiver design, performance analysis, and evaluation for space-borne laser altimeters and space-to-space laser ranging systems

NASA Technical Reports Server (NTRS)

Davidson, Frederic M.; Sun, Xiaoli; Field, Christopher T.

1995-01-01

This Interim report consists of a manuscript, 'Receiver Design for Satellite to Satellite Laser Ranging Instrument,' and copies of two papers we co-authored, 'Demonstration of High Sensitivity Laser Ranging System' and 'Semiconductor Laser-Based Ranging Instrument for Earth Gravity Measurements. ' These two papers were presented at the conference Semiconductor Lasers, Advanced Devices and Applications, August 21 -23, 1995, Keystone Colorado. The manuscript is a draft in the preparation for publication, which summarizes the theory we developed on space-borne laser ranging instrument for gravity measurements.

Generalized extended Lagrangian Born-Oppenheimer molecular dynamics

DOE PAGES

Niklasson, Anders M. N.; Cawkwell, Marc J.

2014-10-29

Extended Lagrangian Born-Oppenheimer molecular dynamics based on Kohn-Sham density functional theory is generalized in the limit of vanishing self-consistent field optimization prior to the force evaluations. The equations of motion are derived directly from the extended Lagrangian under the condition of an adiabatic separation between the nuclear and the electronic degrees of freedom. We show how this separation is automatically fulfilled and system independent. The generalized equations of motion require only one diagonalization per time step and are applicable to a broader range of materials with improved accuracy and stability compared to previous formulations.

Bekenstein inequalities and nonlinear electrodynamics

NASA Astrophysics Data System (ADS)

Peñafiel, M. L.; Falciano, F. T.

2017-12-01

Bekenstein and Mayo proposed a generalized bound for the entropy, which implies some inequalities between the charge, energy, angular momentum, and size of the macroscopic system. Dain has shown that Maxwell's electrodynamics satisfies all three inequalities. We investigate the validity of these relations in the context of nonlinear electrodynamics and show that Born-Infeld electrodynamics satisfies all of them. However, contrary to the linear theory, there is no rigidity statement in Born-Infeld. We study the physical meaning and the relationship between these inequalities, and in particular, we analyze the connection between the energy-angular momentum inequality and causality.

A comparison of finite element and analytic models of acoustic scattering from rough poroelastic interfaces.

PubMed

Bonomo, Anthony L; Isakson, Marcia J; Chotiros, Nicholas P

2015-04-01

The finite element method is used to model acoustic scattering from rough poroelastic surfaces. Both monostatic and bistatic scattering strengths are calculated and compared with three analytic models: Perturbation theory, the Kirchhoff approximation, and the small-slope approximation. It is found that the small-slope approximation is in very close agreement with the finite element results for all cases studied and that perturbation theory and the Kirchhoff approximation can be considered valid in those instances where their predictions match those given by the small-slope approximation.

Balloon borne Antarctic frost point measurements and their impact on polar stratospheric cloud theories

NASA Technical Reports Server (NTRS)

Rosen, James M.; Hofmann, D. J.; Carpenter, J. R.; Harder, J. W.; Oltmans, S. J.

1988-01-01

The first balloon-borne frost point measurements over Antarctica were made during September and October, 1987 as part of the NOZE 2 effort at McMurdo. The results indicate water vapor mixing ratios on the order of 2 ppmv in the 15 to 20 km region which is somewhat smaller than the typical values currently being used significantly smaller than the typical values currently being used in polar stratospheric cloud (PSC) theories. The observed water vapor mixing ratio would correspond to saturated conditions for what is thought to be the lowest stratospheric temperatures encountered over the Antarctic. Through the use of available lidar observations there appears to be significant evidence that some PSCs form at temperatures higher than the local frost point (with respect to water) in the 10 to 20 km region thus supporting the nitric acid theory of PSC composition. Clouds near 15 km and below appear to form in regions saturated with respect to water and thus are probably mostly ice water clouds although they could contain relatively small amounts of other constituents. Photographic evidence suggests that the clouds forming above the frost point probably have an appearance quite different from the lower altitude iridescent, colored nacreous clouds.

Singular instantons in Eddington-inspired-Born-Infeld gravity

DOE PAGES

Arroja, Frederico; Chen, Che -Yu; Chen, Pisin; ...

2017-03-23

In this study, we investigate O(4)-symmetric instantons within the Eddington-inspired-Born-Infeld gravity theory (EiBI) . We discuss the regular Hawking-Moss instanton and find that the tunneling rate reduces to the General Relativity (GR) value, even though the action value is different by a constant. We give a thorough analysis of the singular Vilenkin instanton and the Hawking-Turok instanton with a quadratic scalar field potential in the EiBI theory. In both cases, we find that the singularity can be avoided in the sense that the physical metric, its scalar curvature and the scalar field are regular under some parameter restrictions, but theremore » is a curvature singularity of the auxiliary metric compatible with the connection. We find that the on-shell action is finite and the probability does not reduce to its GR value. We also find that the Vilenkin instanton in the EiBI theory would still cause the instability of the Minkowski space, similar to that in GR, and this is observationally inconsistent. This result suggests that the singularity of the auxiliary metric may be problematic at the quantum level and that these instantons should be excluded from the path integral.« less

A multiplex serologic platform for diagnosis of tick-borne diseases.

PubMed

Tokarz, Rafal; Mishra, Nischay; Tagliafierro, Teresa; Sameroff, Stephen; Caciula, Adrian; Chauhan, Lokendrasingh; Patel, Jigar; Sullivan, Eric; Gucwa, Azad; Fallon, Brian; Golightly, Marc; Molins, Claudia; Schriefer, Martin; Marques, Adriana; Briese, Thomas; Lipkin, W Ian

2018-02-16

Tick-borne diseases are the most common vector-borne diseases in the United States, with serology being the primary method of diagnosis. We developed the first multiplex, array-based assay for serodiagnosis of tick-borne diseases called the TBD-Serochip. The TBD-Serochip was designed to discriminate antibody responses to 8 major tick-borne pathogens present in the United States, including Anaplasma phagocytophilum, Babesia microti, Borrelia burgdorferi, Borrelia miyamotoi, Ehrlichia chaffeensis, Rickettsia rickettsii, Heartland virus and Powassan virus. Each assay contains approximately 170,000 12-mer linear peptides that tile along the protein sequence of the major antigens from each agent with 11 amino acid overlap. This permits accurate identification of a wide range of specific immunodominant IgG and IgM epitopes that can then be used to enhance diagnostic accuracy and integrate differential diagnosis into a single assay. To test the performance of the TBD-Serochip, we examined sera from patients with confirmed Lyme disease, babesiosis, anaplasmosis, and Powassan virus disease. We identified a wide range of specific discriminatory epitopes that facilitated accurate diagnosis of each disease. We also identified previously undiagnosed infections. Our results indicate that the TBD-Serochip is a promising tool for a differential diagnosis not available with currently employed serologic assays for TBDs.

Electrical excitability: a spectrum of properties in the progeny of a single embryonic neuroblast.

PubMed Central

Goodman, C S; Pearson, K G; Spitzer, N C

1980-01-01

We have examined the range of some properties of the progeny of a single embryonic precursor cell in the grasshopper. The approximately 100 progeny of this single neuroblast share certain features such as their transmitter and some aspects of their morphology; at the same time, however, they demonstrate a broad spectrum of electrical properties, from spiking to non-spiking neurons. The first-born progeny are spiking neurons with peripheral axons. Many of the progeny, including all of the last-born, do not generate action potentials. The nonspiking progeny are local intraganglionic neurons and appear to compose a major proportion of the progeny of this neuroblast. All of the nonspiking neurons have calcium inward current channels and can make action potentials when outward current channels are blocked. We propose a model for grasshopper neurogenesis based on cell lineage such that (i) certain features (e.g., transmitter) are shared by the progeny of all cell divisions from a single neuroblast, and (ii) other features (e.g., electrical properties) are shared by the progeny of a given birth position (e.g., first versus last born) from all of the neuroblasts. According to this model, the first-born progeny from all neuroblasts are spiking neurons, whereas the last-born are nonspiking. Images PMID:6246499

Sound scattering by several zooplankton groups. II. Scattering models.

PubMed

Stanton, T K; Chu, D; Wiebe, P H

1998-01-01

Mathematical scattering models are derived and compared with data from zooplankton from several gross anatomical groups--fluidlike, elastic shelled, and gas bearing. The models are based upon the acoustically inferred boundary conditions determined from laboratory backscattering data presented in part I of this series [Stanton et al., J. Acoust. Soc. Am. 103, 225-235 (1998)]. The models use a combination of ray theory, modal-series solution, and distorted wave Born approximation (DWBA). The formulations, which are inherently approximate, are designed to include only the dominant scattering mechanisms as determined from the experiments. The models for the fluidlike animals (euphausiids in this case) ranged from the simplest case involving two rays, which could qualitatively describe the structure of target strength versus frequency for single pings, to the most complex case involving a rough inhomogeneous asymmetrically tapered bent cylinder using the DWBA-based formulation which could predict echo levels over all angles of incidence (including the difficult region of end-on incidence). The model for the elastic shelled body (gastropods in this case) involved development of an analytical model which takes into account irregularities and discontinuities of the shell. The model for gas-bearing animals (siphonophores) is a hybrid model which is composed of the summation of the exact solution to the gas sphere and the approximate DWBA-based formulation for arbitrarily shaped fluidlike bodies. There is also a simplified ray-based model for the siphonophore. The models are applied to data involving single pings, ping-to-ping variability, and echoes averaged over many pings. There is reasonable qualitative agreement between the predictions and single ping data, and reasonable quantitative agreement between the predictions and variability and averages of echo data.

"MONSTROUS MOONSHINE" and Physics

NASA Astrophysics Data System (ADS)

Pushkin, A. V.

The report presents some results obtained by the author on the quantum gravitation theory. Algebraic structure of this theory proves to be related to the commutative nonassociative Griess algebra. The theory symmetry is the automorphism group of Griess algebra: "Monster" simple group. Knowledge of the theory symmetry allows to compute observed physical values in the `zero' approximation. The report presents such computed results for values {m_{p}}/{m_{c}} and α, for the latter the `zero' approximation accuracy, controlled by the theory, being one order of magnitude higher than the accuracy of modern measurements.

How Meaning Is Born.

ERIC Educational Resources Information Center

Hunt, Madgie Mae

In an effort to create a multilevel, interactive, and hypothesis-based model of the reading comprehension process that bridges interdisciplinary gaps in the theory of learning, this report focuses on descriptions of cognitive processes developed in the fields of cognitive psychology, artificial intelligence, sociolinguistics, linguistics, and…

Predictability of tick-borne encephalitis fluctuations.

PubMed

Zeman, P

2017-10-01

Tick-borne encephalitis is a serious arboviral infection with unstable dynamics and profound inter-annual fluctuations in case numbers. A dependable predictive model has been sought since the discovery of the disease. The present study demonstrates that four superimposed cycles, approximately 2·4, 3, 5·4, and 10·4 years long, can account for three-fifths of the variation in the disease fluctuations over central Europe. Using harmonic regression, these cycles can be projected into the future, yielding forecasts of sufficient accuracy for up to 4 years ahead. For the years 2016-2018, this model predicts elevated incidence levels in most parts of the region.

The extreme ultraviolet spectrograph: A radial groove grating, sounding rocket-borne, astronomical instrument

NASA Technical Reports Server (NTRS)

Wilkinson, Erik; Green, James C.; Cash, Webster

1993-01-01

The design, calibration, and sounding rocket flight performance of a novel spectrograph suitable for moderate-resolution EUV spectroscopy are presented. The sounding rocket-borne instrument uses a radial groove grating to maintain a high system efficiency while controlling the aberrations induced when doing spectroscopy in a converging beam. The instrument has a resolution of approximately 2 A across the 200-330 A bandpass with an average effective area of 2 sq cm. The instrument, called the Extreme Ultraviolet Spectrograph, acquired the first EUV spectra in this wavelength region of the hot white dwarf G191-B2B and the late-type star Capella.

Full-Genome Characterisation of Orungo, Lebombo and Changuinola Viruses Provides Evidence for Co-Evolution of Orbiviruses with Their Arthropod Vectors

PubMed Central

Mohd Jaafar, Fauziah; Belhouchet, Mourad; Belaganahalli, Manjunatha; Tesh, Robert B.; Mertens, Peter P. C.; Attoui, Houssam

2014-01-01

The complete genomes of Orungo virus (ORUV), Lebombo virus (LEBV) and Changuinola virus (CGLV) were sequenced, confirming that they each encode 11 distinct proteins (VP1-VP7 and NS1-NS4). Phylogenetic analyses of cell-attachment protein ‘outer-capsid protein 1′ (OC1), show that orbiviruses fall into three large groups, identified as: VP2(OC1), in which OC1 is the 2nd largest protein, including the Culicoides transmitted orbiviruses; VP3(OC1), which includes the mosquito transmitted orbiviruses; and VP4(OC1) which includes the tick transmitted viruses. Differences in the size of OC1 between these groups, places the T2 ‘subcore-shell protein’ as the third largest protein ‘VP3(T2)’ in the first of these groups, but the second largest protein ‘VP3(T2)’ in the other two groups. ORUV, LEBV and CGLV all group with the Culicoides-borne VP2(OC1)/VP3(T2) viruses. The G+C content of the ORUV, LEBV and CGLV genomes is also similar to that of the Culicoides-borne, rather than the mosquito-borne, or tick borne orbiviruses. These data suggest that ORUV and LEBV are Culicoides- rather than mosquito-borne. Multiple isolations of CGLV from sand flies suggest that they are its primary vector. OC1 of the insect-borne orbiviruses is approximately twice the size of the equivalent protein of the tick borne viruses. Together with internal sequence similarities, this suggests its origin by duplication (concatermerisation) of a smaller OC1 from an ancestral tick-borne orbivirus. Phylogenetic comparisons showing linear relationships between the dates of evolutionary-separation of their vector species, and genetic-distances between tick-, mosquito- or Culicoides-borne virus-groups, provide evidence for co-evolution of the orbiviruses with their arthropod vectors. PMID:24475112

Regional teleseismic body-wave tomography with component-differential finite-frequency sensitivity kernels

NASA Astrophysics Data System (ADS)

Yu, Y.; Shen, Y.; Chen, Y. J.

2015-12-01

By using ray theory in conjunction with the Born approximation, Dahlen et al. [2000] computed 3-D sensitivity kernels for finite-frequency seismic traveltimes. A series of studies have been conducted based on this theory to model the mantle velocity structure [e.g., Hung et al., 2004; Montelli et al., 2004; Ren and Shen, 2008; Yang et al., 2009; Liang et al., 2011; Tang et al., 2014]. One of the simplifications in the calculation of the kernels is the paraxial assumption, which may not be strictly valid near the receiver, the region of interest in regional teleseismic tomography. In this study, we improve the accuracy of traveltime sensitivity kernels of the first P arrival by eliminating the paraxial approximation. For calculation efficiency, the traveltime table built by the Fast Marching Method (FMM) is used to calculate both the wave vector and the geometrical spreading at every grid in the whole volume. The improved kernels maintain the sign, but with different amplitudes at different locations. We also find that when the directivity of the scattered wave is being taken into consideration, the differential sensitivity kernel of traveltimes measured at the vertical and radial component of the same receiver concentrates beneath the receiver, which can be used to invert for the structure inside the Earth. Compared with conventional teleseismic tomography, which uses the differential traveltimes between two stations in an array, this method is not affected by instrument response and timing errors, and reduces the uncertainty caused by the finite dimension of the model in regional tomography. In addition, the cross-dependence of P traveltimes to S-wave velocity anomaly is significant and sensitive to the structure beneath the receiver. So with the component-differential finite-frequency sensitivity kernel, the anomaly of both P-wave and S-wave velocity and Vp/Vs ratio can be achieved at the same time.

THEORETICAL METHODS FOR COMPUTING ELECTRICAL CONDITIONS IN WIRE-PLATE ELECTROSTATIC PRECIPITATORS

EPA Science Inventory

The paper describes a new semi-empirical, approximate theory for predicting electrical conditions. In the approximate theory, analytical expressions are derived for calculating voltage-current characteristics and electric potential, electric field, and space charge density distri...

Nonperturbative dynamics of scalar field theories through the Feynman-Schwinger representation

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

Cetin Savkli; Franz Gross; John Tjon

2004-04-01

In this paper we present a summary of results obtained for scalar field theories using the Feynman-Schwinger (FSR) approach. Specifically, scalar QED and {chi}{sup 2}{phi} theories are considered. The motivation behind the applications discussed in this paper is to use the FSR method as a rigorous tool for testing the quality of commonly used approximations in field theory. Exact calculations in a quenched theory are presented for one-, two-, and three-body bound states. Results obtained indicate that some of the commonly used approximations, such as Bethe-Salpeter ladder summation for bound states and the rainbow summation for one body problems, producemore » significantly different results from those obtained from the FSR approach. We find that more accurate results can be obtained using other, simpler, approximation schemes.« less

Infant born preterm have delayed development of adaptive postural control in the first 5 months of life.

PubMed

Dusing, Stacey C; Thacker, Leroy R; Galloway, James C

2016-08-01

Infants born preterm are at increased risk of developmental disabilities, that may be attributed to their early experiences and ability to learn. The purpose of this paper was to evaluate the ability of infants born preterm to adapt their postural control to changing task demands. This study included 18 infants born at 32 weeks of gestation or less whose posture was compared in supine under 2 conditions, with and without a visual stimulus presented. The postural variability, measured with root mean squared displacement of the center of pressure, and postural complexity, measured with the approximate entropy of the center of pressure displacement were measured longitudinally from 2.5 to 5 months of age. The infants looked at the toys in midline for several months prior to adapting their postural variability in a manner similar to full term infants. Only after postural variability was reduced in both the caudal cephalic and medial lateral direction in the toy condition did the infants learn to reach for the toy. Postural complexity did not vary between conditions. These findings suggest that infants used a variety of strategies to control their posture. In contrast to research with infants born full term, the infants born preterm in this study did not identify the successful strategy of reducing movement of the center of pressure until months after showing interest in the toy. This delayed adaptation may impact the infants ability to learn over time. Copyright © 2016 Elsevier Inc. All rights reserved.

THE NATIONAL CHILDREN'S STUDY: BEGINNING THE IMPLEMENTATION OF A NATIONAL-PROBABILITY SAMPLE

EPA Science Inventory

Introduction: The National Children's Study (NCS) is a longitudinal cohort study that will follow a sample of approximately 100,000 children born in the United States from before birth until 21 years of age. The NCS will investigate the separate and combined effects of environmen...

Helping Young Hispanic Learners

ERIC Educational Resources Information Center

Garcia, Eugene E.; Jensen, Bryant

2007-01-01

Hispanics are the largest and youngest ethnic group in the United States. Moreover, young Hispanic children make up approximately 80 percent of the U.S. English language learner population. They are a heterogeneous group, born both inside and outside the United States and having origins in Mexico, Cuba, Central America, South America, and the…

Johanna and Tommy: Two Preschoolers in Sweden with Brittle Bones.

ERIC Educational Resources Information Center

Millde, Kristina; Brodin, Jane

Information is presented for caregivers of Swedish children with osteogenesis imperfecta (brittle bones) and their families. Approximately five children with brittle bones are born in Sweden annually. Two main types of brittle bone disease have been identified: congenita and tarda. Typical symptoms include numerous and unexpected fractures, bluish…

Earth Observation

NASA Image and Video Library

2014-05-31

ISS040-E-006165 (31 May 2014 ) --- One of the Expedition 40 crew members aboard the International Space Station photographed this nadir image of the volcanic-born Banks Peninsula, on the east coast of the South Island of New Zealand on May 31, 2014. Banks Peninsula covers an area of approximately 1,150 square kilometers.

Combined active and passive microwave remote sensing of vegetated surfaces at l-band

USDA-ARS?s Scientific Manuscript database

In previous work the distorted Born approximation (DBA) of volume scattering was combined with the numerical solutions of Maxwell equations (NMM3D) for a rough surface to calculate the radar backscattering coefficient for the Soil Moisture Active Passive (SMAP) mission. The model results were valida...

Leucine is a major regulator of muscle protein synthesis in neonates

USDA-ARS?s Scientific Manuscript database

Approximately 10 % of infants born in the United States are of low birth weight. Growth failure during the neonatal period is a common occurrence in low birth weight infants due to their inability to tolerate full feeds, concerns about advancing protein supply, and high nutrient requirements for gro...

Diffraction and Dissipation of Atmospheric Waves in the Vicinity of Caustics

NASA Astrophysics Data System (ADS)

Godin, O. A.

2015-12-01

A large and increasing number of ground-based and satellite-borne instruments has been demonstrated to reliably reveal ionospheric manifestations of natural hazards such as large earthquakes, strong tsunamis, and powerful tornadoes. To transition from detection of ionospheric manifestations of natural hazards to characterization of the hazards for the purposes of improving early warning systems and contributing to disaster recovery, it is necessary to relate quantitatively characteristics of the observed ionospheric disturbances and the underlying natural hazard and, in particular, accurately model propagation of atmospheric waves from the ground or ocean surface to the ionosphere. The ray theory has been used extensively to model propagation of atmospheric waves and proved to be very efficient in elucidating the effects of atmospheric variability on ionospheric signatures of natural hazards. However, the ray theory predicts unphysical, divergent values of the wave amplitude and needs to be modified in the vicinity of caustics. This paper presents an asymptotic theory that describes diffraction, focusing and increased dissipation of acoustic-gravity waves in the vicinity of caustics and turning points. Air temperature, viscosity, thermal conductivity, and wind velocity are assumed to vary gradually with height and horizontal coordinates, and slowness of these variations determines the large parameter of the problem. Uniform asymptotics of the wave field are expressed in terms of Airy functions and their derivatives. The geometrical, or Berry, phase, which arises in the consistent WKB approximation for acoustic-gravity waves, plays an important role in the caustic asymptotics. In addition to the wave field in the vicinity of the caustic, these asymptotics describe wave reflection from the caustic and the evanescent wave field beyond the caustic. The evanescent wave field is found to play an important role in ionospheric manifestations of tsunamis.

Quantum transport under ac drive from the leads: A Redfield quantum master equation approach

NASA Astrophysics Data System (ADS)

Purkayastha, Archak; Dubi, Yonatan

2017-08-01

Evaluating the time-dependent dynamics of driven open quantum systems is relevant for a theoretical description of many systems, including molecular junctions, quantum dots, cavity-QED experiments, cold atoms experiments, and more. Here, we formulate a rigorous microscopic theory of an out-of-equilibrium open quantum system of noninteracting particles on a lattice weakly coupled bilinearly to multiple baths and driven by periodically varying thermodynamic parameters like temperature and chemical potential of the bath. The particles can be either bosonic or fermionic and the lattice can be of any dimension and geometry. Based on the Redfield quantum master equation under Born-Markov approximation, we derive a linear differential equation for an equal time two point correlation matrix, sometimes also called a single-particle density matrix, from which various physical observables, for example, current, can be calculated. Various interesting physical effects, such as resonance, can be directly read off from the equations. Thus, our theory is quite general and gives quite transparent and easy-to-calculate results. We validate our theory by comparing with exact numerical simulations. We apply our method to a generic open quantum system, namely, a double quantum dot coupled to leads with modulating chemical potentials. The two most important experimentally relevant insights from this are as follows: (i) Time-dependent measurements of current for symmetric oscillating voltages (with zero instantaneous voltage bias) can point to the degree of asymmetry in the system-bath coupling and (ii) under certain conditions time-dependent currents can exceed time-averaged currents by several orders of magnitude, and can therefore be detected even when the average current is below the measurement threshold.

Ground-state densities from the Rayleigh-Ritz variation principle and from density-functional theory.

PubMed

Kvaal, Simen; Helgaker, Trygve

2015-11-14

The relationship between the densities of ground-state wave functions (i.e., the minimizers of the Rayleigh-Ritz variation principle) and the ground-state densities in density-functional theory (i.e., the minimizers of the Hohenberg-Kohn variation principle) is studied within the framework of convex conjugation, in a generic setting covering molecular systems, solid-state systems, and more. Having introduced admissible density functionals as functionals that produce the exact ground-state energy for a given external potential by minimizing over densities in the Hohenberg-Kohn variation principle, necessary and sufficient conditions on such functionals are established to ensure that the Rayleigh-Ritz ground-state densities and the Hohenberg-Kohn ground-state densities are identical. We apply the results to molecular systems in the Born-Oppenheimer approximation. For any given potential v ∈ L(3/2)(ℝ(3)) + L(∞)(ℝ(3)), we establish a one-to-one correspondence between the mixed ground-state densities of the Rayleigh-Ritz variation principle and the mixed ground-state densities of the Hohenberg-Kohn variation principle when the Lieb density-matrix constrained-search universal density functional is taken as the admissible functional. A similar one-to-one correspondence is established between the pure ground-state densities of the Rayleigh-Ritz variation principle and the pure ground-state densities obtained using the Hohenberg-Kohn variation principle with the Levy-Lieb pure-state constrained-search functional. In other words, all physical ground-state densities (pure or mixed) are recovered with these functionals and no false densities (i.e., minimizing densities that are not physical) exist. The importance of topology (i.e., choice of Banach space of densities and potentials) is emphasized and illustrated. The relevance of these results for current-density-functional theory is examined.

Major depression in China-to-US immigrants and US-born Chinese Americans: testing a hypothesis from culture-gene co-evolutionary theory of mental disorders.

PubMed

Tan, Tony Xing

2014-01-01

In this study, the culture-gene co-evolutionary theory of mental disorders was used to test the hypothesis that major depression was less prevalent in China-to-US immigrants who migrated to the US as adults than in US-born adult Chinese Americans. Data from the Collaborative Psychiatric Epidemiology Surveys (CPES) were extracted for secondary data analyses on the rates of major depression disorder (MDD) and major depressive episode (MDE) in the two groups. Findings showed that for life time MDD, the rates for China-to-US immigrant and US-born Chinese were 5.3% and 7.9% for men and 8.5% and 33.1% for women. For 12-month MDD, the corresponding rates were 2.2% and 3.4% for men, and 4.7% and 12.6% for women. For life time MDE, the corresponding rates were 6.8% and 8.8% for men; for women the rates were 8.5% and 33.1%. For 12-month MDE, the rates were 2.2% and 4.4% for men; the rates were 4.7% and 12.6% for women. Controlling for age, education level, income, BMI, marital status, and income-to-needs ratio, China-to-US immigrant women remained less likely to have life time major depression than US-born Chinese American women. While the study has the strength of utilizing nationally representative datasets, the approach is limited as the data sources lack the capacity to investigate how the strength of connection with the collectivist culture might be related to major depression in the immigrant group. Copyright © 2014 Elsevier B.V. All rights reserved.

Minimal entropy approximation for cellular automata

NASA Astrophysics Data System (ADS)

Fukś, Henryk

2014-02-01

We present a method for the construction of approximate orbits of measures under the action of cellular automata which is complementary to the local structure theory. The local structure theory is based on the idea of Bayesian extension, that is, construction of a probability measure consistent with given block probabilities and maximizing entropy. If instead of maximizing entropy one minimizes it, one can develop another method for the construction of approximate orbits, at the heart of which is the iteration of finite-dimensional maps, called minimal entropy maps. We present numerical evidence that the minimal entropy approximation sometimes outperforms the local structure theory in characterizing the properties of cellular automata. The density response curve for elementary CA rule 26 is used to illustrate this claim.

Feynman perturbation expansion for the price of coupon bond options and swaptions in quantum finance. I. Theory

NASA Astrophysics Data System (ADS)

Baaquie, Belal E.

2007-01-01

European options on coupon bonds are studied in a quantum field theory model of forward interest rates. Swaptions are briefly reviewed. An approximation scheme for the coupon bond option price is developed based on the fact that the volatility of the forward interest rates is a small quantity. The field theory for the forward interest rates is Gaussian, but when the payoff function for the coupon bond option is included it makes the field theory nonlocal and nonlinear. A perturbation expansion using Feynman diagrams gives a closed form approximation for the price of coupon bond option. A special case of the approximate bond option is shown to yield the industry standard one-factor HJM formula with exponential volatility.

Transition operators in electromagnetic-wave diffraction theory. II - Applications to optics

NASA Technical Reports Server (NTRS)

Hahne, G. E.

1993-01-01

The theory developed by Hahne (1992) for the diffraction of time-harmonic electromagnetic waves from fixed obstacles is briefly summarized and extended. Applications of the theory are considered which comprise, first, a spherical harmonic expansion of the so-called radiation impedance operator in the theory, for a spherical surface, and second, a reconsideration of familiar short-wavelength approximation from the new standpoint, including a derivation of the so-called physical optics method on the basis of quasi-planar approximation to the radiation impedance operator, augmented by the method of stationary phase. The latter includes a rederivation of the geometrical optics approximation for the complete Green's function for the electromagnetic field in the presence of a smooth- and a convex-surfaced perfectly electrically conductive obstacle.

Feynman perturbation expansion for the price of coupon bond options and swaptions in quantum finance. I. Theory.

PubMed

Baaquie, Belal E

2007-01-01

European options on coupon bonds are studied in a quantum field theory model of forward interest rates. Swaptions are briefly reviewed. An approximation scheme for the coupon bond option price is developed based on the fact that the volatility of the forward interest rates is a small quantity. The field theory for the forward interest rates is Gaussian, but when the payoff function for the coupon bond option is included it makes the field theory nonlocal and nonlinear. A perturbation expansion using Feynman diagrams gives a closed form approximation for the price of coupon bond option. A special case of the approximate bond option is shown to yield the industry standard one-factor HJM formula with exponential volatility.

Theory and operational rules for the discrete Hankel transform.

PubMed

Baddour, Natalie; Chouinard, Ugo

2015-04-01

Previous definitions of a discrete Hankel transform (DHT) have focused on methods to approximate the continuous Hankel integral transform. In this paper, we propose and evaluate the theory of a DHT that is shown to arise from a discretization scheme based on the theory of Fourier-Bessel expansions. The proposed transform also possesses requisite orthogonality properties which lead to invertibility of the transform. The standard set of shift, modulation, multiplication, and convolution rules are derived. In addition to the theory of the actual manipulated quantities which stand in their own right, this DHT can be used to approximate the continuous forward and inverse Hankel transform in the same manner that the discrete Fourier transform is known to be able to approximate the continuous Fourier transform.

Vygotsky and the Teaching of Writing.

ERIC Educational Resources Information Center

Everson, Barbara J.

1991-01-01

Describes the writing theories of Lev Vygotsky, and how they are borne out by modern research. Asserts the Vygotsky's ideas show why cooperative learning strategies such as peer response groups fit into the beginning stages of the composing process. Discusses Vygotsky's zone of proximal development. (PRA)

The Escuela Moderna Movement of Francisco Ferrer: "Por la Verdad y la Justicia."

ERIC Educational Resources Information Center

Fidler, Geoffrey C.

1985-01-01

The educational theory and practice of the Escuela Modern (Modern School) movement of the Spanish educator Francisco Ferrer, born in 1850, are discussed. Two fundamental tendencies of the movement are child-centered education and education in didactic terms. (RM)

Origin of the Anomalous Color of Egyptian and Han Blue Historical Pigments: Going beyond the Complex Approximation in Ligand Field Theory

ERIC Educational Resources Information Center

García-Fernandez, Pablo; Moreno, Miguel; Aramburu, José Antonio

2016-01-01

The complex approximation is widely used in the framework of the Ligand Field Theory for explaining the optical properties of crystalline coordination compounds. Here, we show that there are essential features of these systems that cannot be understood with the usual approximation that only considers an isolated complex at the correct equilibrium…

Neutron stars in the braneworld within the Eddington-inspired Born-Infeld gravity

NASA Astrophysics Data System (ADS)

Prasetyo, I.; Husin, I.; Qauli, A. I.; Ramadhan, H. S.; Sulaksono, A.

2018-01-01

We propose the disappearance of "the hyperon puzzle" in neutron star (NS) by invoking two new-physics prescriptions: modified gravity theory and braneworld scenario. By assuming that NS lives on a 3-brane within a 5d empty AdS bulk, gravitationally governed by Eddington-inspired Born-Infeld (EiBI) theory, the field equations can be effectively cast into the usual Einstein's with "apparent" anisotropic energy-momentum tensor. Solving the corresponding brane-TOV equations numerically, we study its mass-radius relation. It is known that the appearance of finite brane tension λ reduces the compactness of the star. The compatibility of the braneworld results with observational constraints of NS mass and radius can be restored in our model by varying the EiBI's coupling constant, κ. We found that within the astrophysically-accepted range of parameters (0<κ<6×106m2 and λgg1 MeV4) the NS can have mass ~2.1 Msolar and radius ~10 km.

Precision CMB Measurements from Long Duration Stratospheric Balloons: Towards B-modes and Inflation

NASA Astrophysics Data System (ADS)

Jones, William C.

2013-01-01

Observations of the Cosmic Microwave Background (CMB) have played a leading role in establishing an understanding of the structure and evolution of the Universe on the largest scales. This achievement has been enabled by a series of extremely successful experiments, coupled with the simplicity of the relationship between the cosmological theory and data. Antarctic experiments, including both balloon-borne telescopes and instruments at the South Pole, have played a key role in realizing the scientific potential of the CMB, from the characterization of the temperature anisotropies to the detection and study of the polarized component. Current and planned Antarctic long duration balloon experiments will extend this heritage of discovery to test theories of cosmic genesis through sensitive polarized surveys of the millimeter-wavelength sky. In this paper we will review the pivotal role that Antarctic balloon borne experiments have played in transforming our understanding of the Universe, and describe the scientific goals and technical approach of current and future missions.

Renormalization Group Theory of Bolgiano Scaling in Boussinesq Turbulence

NASA Technical Reports Server (NTRS)

Rubinstein, Robert

1994-01-01

Bolgiano scaling in Boussinesq turbulence is analyzed using the Yakhot-Orszag renormalization group. For this purpose, an isotropic model is introduced. Scaling exponents are calculated by forcing the temperature equation so that the temperature variance flux is constant in the inertial range. Universal amplitudes associated with the scaling laws are computed by expanding about a logarithmic theory. Connections between this formalism and the direct interaction approximation are discussed. It is suggested that the Yakhot-Orszag theory yields a lowest order approximate solution of a regularized direct interaction approximation which can be corrected by a simple iterative procedure.

Immigrant residential segregation in U.S. metropolitan areas, 1990-2000.

PubMed

Iceland, John; Scopilliti, Melissa

2008-02-01

This paper examines the extent of spatial assimilation among immigrants of different racial and ethnic origins. We use restricted data from the 1990 and 2000 censuses to calculate the levels of dissimilarity by race and Hispanic origin, nativity, and year of entry, and then run multivariate models to examine these relationships. The findings provide broad support for spatial assimilation theory. Foreign-born Hispanics, Asians, and blacks are more segregated from native-born non-Hispanic whites than are the U.S.-born of these groups. The patterns for Hispanics and Asians can be explained by the average characteristics of the foreign-born that are generally associated with higher levels of segregation, such as lower levels of income, English language ability, and home ownership. We also find that immigrants who have been in the United States for longer periods are generally less segregated than new arrivals, and once again, much of this difference can be attributed to the characteristics of immigrants. However, patterns also vary across groups. Levels of segregation are much higher for black immigrants than for Asian, Hispanic, and white immigrants. In addition, because black immigrants are, on average, of higher socioeconomic status than native-born blacks, such characteristics do not help explain their very high levels of segregation.

Leading indicators of mosquito-borne disease elimination.

PubMed

O'Regan, Suzanne M; Lillie, Jonathan W; Drake, John M

Mosquito-borne diseases contribute significantly to the global disease burden. High-profile elimination campaigns are currently underway for many parasites, e.g., Plasmodium spp., the causal agent of malaria. Sustaining momentum near the end of elimination programs is often difficult to achieve and consequently quantitative tools that enable monitoring the effectiveness of elimination activities after the initial reduction of cases has occurred are needed. Documenting progress in vector-borne disease elimination is a potentially important application for the theory of critical transitions. Non-parametric approaches that are independent of model-fitting would advance infectious disease forecasting significantly. In this paper, we consider compartmental Ross-McDonald models that are slowly forced through a critical transition through gradually deployed control measures. We derive expressions for the behavior of candidate indicators, including the autocorrelation coefficient, variance, and coefficient of variation in the number of human cases during the approach to elimination. We conducted a simulation study to test the performance of each summary statistic as an early warning system of mosquito-borne disease elimination. Variance and coefficient of variation were highly predictive of elimination but autocorrelation performed poorly as an indicator in some control contexts. Our results suggest that tipping points (bifurcations) in mosquito-borne infectious disease systems may be foreshadowed by characteristic temporal patterns of disease prevalence.

Gender differences in immigrant health: the case of Mexican and Middle Eastern immigrants.

PubMed

Read, Jen'nan Ghazal; Reynolds, Megan M

2012-03-01

This article draws on theories of gender inequality and immigrant health to hypothesize differences among the largest immigrant population, Mexicans, and a lesser known population of Middle Easterners. Using data from the 2000-2007 National Health Interview Surveys, we compare health outcomes among immigrants to those among U.S.-born whites and assess gender differences within each group. We find an immigrant story and a gender story. Mexican and Middle Eastern immigrants are healthier than U.S.-born whites, and men report better health than women regardless of nativity or ethnicity. We identify utilization of health care as a primary mechanism that contributes to both patterns. Immigrants are less likely than U.S.-born whites to interact with the health care system, and women are more likely to do so than men. Thus, immigrant and gender health disparities may partly reflect knowledge of health status rather than actual health.

Quantum Brownian motion with inhomogeneous damping and diffusion

NASA Astrophysics Data System (ADS)

Massignan, Pietro; Lampo, Aniello; Wehr, Jan; Lewenstein, Maciej

2015-03-01

We analyze the microscopic model of quantum Brownian motion, describing a Brownian particle interacting with a bosonic bath through a coupling which is linear in the creation and annihilation operators of the bath, but may be a nonlinear function of the position of the particle. Physically, this corresponds to a configuration in which damping and diffusion are spatially inhomogeneous. We derive systematically the quantum master equation for the Brownian particle in the Born-Markov approximation and we discuss the appearance of additional terms, for various polynomials forms of the coupling. We discuss the cases of linear and quadratic coupling in great detail and we derive, using Wigner function techniques, the stationary solutions of the master equation for a Brownian particle in a harmonic trapping potential. We predict quite generally Gaussian stationary states, and we compute the aspect ratio and the spread of the distributions. In particular, we find that these solutions may be squeezed (superlocalized) with respect to the position of the Brownian particle. We analyze various restrictions to the validity of our theory posed by non-Markovian effects and by the Heisenberg principle. We further study the dynamical stability of the system, by applying a Gaussian approximation to the time-dependent Wigner function, and we compute the decoherence rates of coherent quantum superpositions in position space. Finally, we propose a possible experimental realization of the physics discussed here, by considering an impurity particle embedded in a degenerate quantum gas.

Impaired visual short-term memory capacity is distinctively associated with structural connectivity of the posterior thalamic radiation and the splenium of the corpus callosum in preterm-born adults.

PubMed

Menegaux, Aurore; Meng, Chun; Neitzel, Julia; Bäuml, Josef G; Müller, Hermann J; Bartmann, Peter; Wolke, Dieter; Wohlschläger, Afra M; Finke, Kathrin; Sorg, Christian

2017-04-15

Preterm birth is associated with an increased risk for lasting changes in both the cortico-thalamic system and attention; however, the link between cortico-thalamic and attention changes is as yet little understood. In preterm newborns, cortico-cortical and cortico-thalamic structural connectivity are distinctively altered, with increased local clustering for cortico-cortical and decreased integrity for cortico-thalamic connectivity. In preterm-born adults, among the various attention functions, visual short-term memory (vSTM) capacity is selectively impaired. We hypothesized distinct associations between vSTM capacity and the structural integrity of cortico-thalamic and cortico-cortical connections, respectively, in preterm-born adults. A whole-report paradigm of briefly presented letter arrays based on the computationally formalized Theory of Visual Attention (TVA) was used to quantify parameter vSTM capacity in 26 preterm- and 21 full-term-born adults. Fractional anisotropy (FA) of posterior thalamic radiations and the splenium of the corpus callosum obtained by diffusion tensor imaging were analyzed by tract-based spatial statistics and used as proxies for cortico-thalamic and cortico-cortical structural connectivity. The relationship between vSTM capacity and cortico-thalamic and cortico-cortical connectivity, respectively, was significantly modified by prematurity. In full-term-born adults, the higher FA in the right posterior thalamic radiation the higher vSTM capacity; in preterm-born adults this FA-vSTM-relationship was inversed. In the splenium, higher FA was correlated with higher vSTM capacity in preterm-born adults, whereas no significant relationship was evident in full-term-born adults. These results indicate distinct associations between cortico-thalamic and cortico-cortical integrity and vSTM capacity in preterm-and full-term-born adults. Data suggest compensatory cortico-cortical fiber re-organization for attention deficits after preterm delivery. Copyright © 2017 Elsevier Inc. All rights reserved.

New constraint on scalar Gauss-Bonnet gravity and a possible explanation for the excess of the orbital decay rate in a low-mass x-ray binary

NASA Astrophysics Data System (ADS)

Yagi, Kent

2012-10-01

It was recently shown that a black hole (BH) is the only compact object that can acquire a scalar charge in scalar Gauss-Bonnet (sGB) theory under the small coupling approximation. This leads to the fact that scalar radiation is emitted from a binary containing at least one BH. In this paper, we find the constraints on this theory from BH low-mass x-ray binaries. The main result of this paper is that from the orbital decay rate of A0620-00, we obtained a conservative bound that is six orders of magnitude stronger than the Solar System bound. In addition to this, we look at XTE J1118+480, whose orbital decay rate has been recently measured with an excess compared to the theoretical prediction in general relativity due to the radiation reaction. The cause of this excess is currently unknown. Although it is likely that the cause is of astrophysical origin, here we investigate the possibility of explaining this excess with the additional scalar radiation in sGB theory. We find that there still remains a parameter range where the excess can be explained while also satisfying the constraint obtained from A0620-00. The interesting point is that for most of other alternative theories of gravity, it seems difficult to explain this excess with the additional radiation. This is because it would be difficult to evade the constraints from binary pulsars or they have already been constrained rather strongly from other observations such as solar system experiments. We propose several ways to determine whether the excess is caused by the scalar radiation in sGB gravity including future gravitational wave observations with space-borne interferometers, which can give a constraint three orders of magnitude stronger than that from A0620-00.

Immunological control of ticks and tick-borne diseases that impact cattle health and production.

PubMed

Almazan, Consuelo; Tipacamu, Gabriela Aguilar; Rodriguez, Sergio; Mosqueda, Juan; Perez de Leon, Adalberto

2018-03-01

The cattle industry is one of the most important agroeconomic activities in Mexico. The national herd is estimated to include approximately 33.5. million head of cattle. Ticks and tick-borne diseases are principal factors with a negative impact on cattle health and production. The most economically important tick species parasitizing cattle in Mexico are Rhipicephalus microplus , R. annulatus , and Amblyomma mixtum . Parasitism by ticks affects cattle health and production directly. Morbidity and mortality caused by tick-borne diseases augment the detrimental effect of tick infestation in cattle. Bovine babesiosis and anaplasmosis are the most important tick-borne diseases of cattle, which are caused by infectious agents transmitted by R. microplus and R. annulatus . However, there are no prophylactic therapies to control bovine babesiosis and anaplasmosis. Chemical control is the most common way to treat animals against ticks, and the use of acaricides can also help manage tick-borne diseases. However, the evolution of resistance to acaricides among cattle tick populations renders chemical control ineffective; which represents a challenge for sustainable ticks and tick-borne diseases control. The only anti-tick vaccine commercially available globally is based on the recombinant antigen Bm86. Because of its mode of immunity against R. microplus and R. annulatus , the Bm86-based vaccine also decreases the exposition of bovines to babesiosis and anaplasmosis. Research with Bm86-based vaccines documented high efficacy against R. annulatus , the efficacy levels against R. microplus varies according to the geographic origin of tick populations, and there is not effect against other ticks species such as Amblyomma spp. The impact of ticks and tick-borne diseases, the problem of chemical control due to acaricide resistance, and progress with anti-tick vaccine research efforts in Mexico are reviewed herein.

Constructor theory of probability

PubMed Central

2016-01-01

Unitary quantum theory, having no Born Rule, is non-probabilistic. Hence the notorious problem of reconciling it with the unpredictability and appearance of stochasticity in quantum measurements. Generalizing and improving upon the so-called ‘decision-theoretic approach’, I shall recast that problem in the recently proposed constructor theory of information—where quantum theory is represented as one of a class of superinformation theories, which are local, non-probabilistic theories conforming to certain constructor-theoretic conditions. I prove that the unpredictability of measurement outcomes (to which constructor theory gives an exact meaning) necessarily arises in superinformation theories. Then I explain how the appearance of stochasticity in (finitely many) repeated measurements can arise under superinformation theories. And I establish sufficient conditions for a superinformation theory to inform decisions (made under it) as if it were probabilistic, via a Deutsch–Wallace-type argument—thus defining a class of decision-supporting superinformation theories. This broadens the domain of applicability of that argument to cover constructor-theory compliant theories. In addition, in this version some of the argument's assumptions, previously construed as merely decision-theoretic, follow from physical properties expressed by constructor-theoretic principles. PMID:27616914

Properties of the Boltzmann equation in the classical approximation

DOE PAGES

Epelbaum, Thomas; Gelis, François; Tanji, Naoto; ...

2014-12-30

We examine the Boltzmann equation with elastic point-like scalar interactions in two different versions of the the classical approximation. Although solving numerically the Boltzmann equation with the unapproximated collision term poses no problem, this allows one to study the effect of the ultraviolet cutoff in these approximations. This cutoff dependence in the classical approximations of the Boltzmann equation is closely related to the non-renormalizability of the classical statistical approximation of the underlying quantum field theory. The kinetic theory setup that we consider here allows one to study in a much simpler way the dependence on the ultraviolet cutoff, since onemore » has also access to the non-approximated result for comparison.« less

Visual attention in preterm born adults: specifically impaired attentional sub-mechanisms that link with altered intrinsic brain networks in a compensation-like mode.

PubMed

Finke, Kathrin; Neitzel, Julia; Bäuml, Josef G; Redel, Petra; Müller, Hermann J; Meng, Chun; Jaekel, Julia; Daamen, Marcel; Scheef, Lukas; Busch, Barbara; Baumann, Nicole; Boecker, Henning; Bartmann, Peter; Habekost, Thomas; Wolke, Dieter; Wohlschläger, Afra; Sorg, Christian

2015-02-15

Although pronounced and lasting deficits in selective attention have been observed for preterm born individuals it is unknown which specific attentional sub-mechanisms are affected and how they relate to brain networks. We used the computationally specified 'Theory of Visual Attention' together with whole- and partial-report paradigms to compare attentional sub-mechanisms of pre- (n=33) and full-term (n=32) born adults. Resting-state fMRI was used to evaluate both between-group differences and inter-individual variance in changed functional connectivity of intrinsic brain networks relevant for visual attention. In preterm born adults, we found specific impairments of visual short-term memory (vSTM) storage capacity while other sub-mechanisms such as processing speed or attentional weighting were unchanged. Furthermore, changed functional connectivity was found in unimodal visual and supramodal attention-related intrinsic networks. Among preterm born adults, the individual pattern of changed connectivity in occipital and parietal cortices was systematically associated with vSTM in such a way that the more distinct the connectivity differences, the better the preterm adults' storage capacity. These findings provide first evidence for selectively changed attentional sub-mechanisms in preterm born adults and their relation to altered intrinsic brain networks. In particular, data suggest that cortical changes in intrinsic functional connectivity may compensate adverse developmental consequences of prematurity on visual short-term storage capacity. Copyright © 2014 Elsevier Inc. All rights reserved.

Discrete sudden perturbation theory for inelastic scattering. I. Quantum and semiclassical treatment

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

Cross, R.J.

1985-12-01

A double perturbation theory is constructed to treat rotationally and vibrationally inelastic scattering. It uses both the elastic scattering from the spherically averaged potential and the infinite-order sudden (IOS) approximation as the unperturbed solutions. First, a standard perturbation expansion is done to express the radial wave functions in terms of the elastic wave functions. The resulting coupled equations are transformed to the discrete-variable representation where the IOS equations are diagonal. Then, the IOS solutions are removed from the equations which are solved by an exponential perturbation approximation. The results for Ar+N/sub 2/ are very much more accurate than the IOSmore » and somewhat more accurate than a straight first-order exponential perturbation theory. The theory is then converted into a semiclassical, time-dependent form by using the WKB approximation. The result is an integral of the potential times a slowly oscillating factor over the classical trajectory. A method of interpolating the result is given so that the calculation is done at the average velocity for a given transition. With this procedure, the semiclassical version of the theory is more accurate than the quantum version and very much faster. Calculations on Ar+N/sub 2/ show the theory to be much more accurate than the infinite-order sudden (IOS) approximation and the exponential time-dependent perturbation theory.« less

Design of a concise Féry-prism hyperspectral imaging system based on multi-configuration

NASA Astrophysics Data System (ADS)

Dong, Wei; Nie, Yun-feng; Zhou, Jin-song

2013-08-01

In order to meet the needs of space borne and airborne hyperspectral imaging system for light weight, simplification and high spatial resolution, a novel design of Féry-prism hyperspectral imaging system based on Zemax multi-configuration method is presented. The novel structure is well arranged by analyzing optical monochromatic aberrations theoretically, and the optical structure of this design is concise. The fundamental of this design is Offner relay configuration, whereas the secondary mirror is replaced by Féry-prism with curved surfaces and a reflective front face. By reflection, the light beam passes through the Féry-prism twice, which promotes spectral resolution and enhances image quality at the same time. The result shows that the system can achieve light weight and simplification, compared to other hyperspectral imaging systems. Composed of merely two spherical mirrors and one achromatized Féry-prism to perform both dispersion and imaging functions, this structure is concise and compact. The average spectral resolution is 6.2nm; The MTFs for 0.45~1.00um spectral range are greater than 0.75, RMSs are less than 2.4um; The maximal smile is less than 10% pixel, while the keystones is less than 2.8% pixel; image quality approximates the diffraction limit. The design result shows that hyperspectral imaging system with one modified Féry-prism substituting the secondary mirror of Offner relay configuration is feasible from the perspective of both theory and practice, and possesses the merits of simple structure, convenient optical alignment, and good image quality, high resolution in space and spectra, adjustable dispersive nonlinearity. The system satisfies the requirements of airborne or space borne hyperspectral imaging system.

Teaching as Chaos

ERIC Educational Resources Information Center

Moseley, Bryan; Dustin, Daniel

2008-01-01

In this article, the authors advance a metaphor born of chaos theory that views the college classroom as a complex dynamical system. The authors reason further that "teaching as chaos" provides a more accurate representation of the teaching-learning process than the existing linear scientific metaphors on which traditional learning assessments are…

Who wins and who loses? Public transfer accounts for US generations born 1850 to 2090

PubMed Central

Bommier, Antoine; Miller, Tim; Zuber, Stéphane

2010-01-01

Public transfer programs in industrial nations are thought to benefit the elderly through pension and health care programs at the expense of the young and future generations. However, this intergenerational picture changes if public education is also considered as a transfer program. We calculate the net present value (NPV) of benefits received minus taxes paid for US generations born 1850 to 2090. Surprisingly, all generations 1950 to 2050 are net gainers, while many current elderly are losers. Windfall gains from starting Social Security and Medicare partially offset windfall losses from starting public education, roughly consistent with the Becker-Murphy theory. PMID:20300431

Relativistic weak lensing from a fully non-linear cosmological density field

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

Thomas, D.B.; Bruni, M.; Wands, D., E-mail: thomas.daniel@ucy.ac.cy, E-mail: marco.bruni@port.ac.uk, E-mail: david.wands@port.ac.uk

2015-09-01

In this paper we examine cosmological weak lensing on non-linear scales and show that there are Newtonian and relativistic contributions and that the latter can also be extracted from standard Newtonian simulations. We use the post-Friedmann formalism, a post-Newtonian type framework for cosmology, to derive the full weak-lensing deflection angle valid on non-linear scales for any metric theory of gravity. We show that the only contributing term that is quadratic in the first order deflection is the expected Born correction and lens-lens coupling term. We use this deflection angle to analyse the vector and tensor contributions to the E- andmore » B- mode cosmic shear power spectra. In our approach, once the gravitational theory has been specified, the metric components are related to the matter content in a well-defined manner. Specifying General Relativity, we write down a complete set of equations for a GR+ΛCDM universe for computing all of the possible lensing terms from Newtonian N-body simulations. We illustrate this with the vector potential and show that, in a GR+ΛCDM universe, its contribution to the E-mode is negligible with respect to that of the conventional Newtonian scalar potential, even on non-linear scales. Thus, under the standard assumption that Newtonian N-body simulations give a good approximation of the matter dynamics, we show that the standard ray tracing approach gives a good description for a ΛCDM cosmology.« less

Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham Theory.

PubMed

Sharpe, Daniel J; Levy, Mel; Tozer, David J

2018-02-13

Levy and Zahariev [Phys. Rev. Lett. 113 113002 (2014)] have proposed a new approach for performing density functional theory calculations, termed direct energy Kohn-Sham (DEKS) theory. In this approach, the electronic energy equals the sum of orbital energies, obtained from Kohn-Sham-like orbital equations involving a shifted Hartree-exchange-correlation potential, which must be approximated. In the present study, density scaling homogeneity considerations are used to facilitate DEKS calculations on a series of atoms and molecules, leading to three nonlocal approximations to the shifted potential. The first two rely on preliminary Kohn-Sham calculations using a standard generalized gradient approximation (GGA) exchange-correlation functional and the results illustrate the benefit of describing the dominant Hartree component of the shift exactly. A uniform electron gas analysis is used to eliminate the need for these preliminary Kohn-Sham calculations, leading to a potential with an unconventional form that yields encouraging results, providing strong motivation for further research in DEKS theory.

Justification of Shallow-Water Theory

NASA Astrophysics Data System (ADS)

Ostapenko, V. V.

2018-01-01

The basic conservation laws of shallow-water theory are derived from multidimensional mass and momentum integral conservation laws describing the plane-parallel flow of an ideal incompressible fluid above the horizontal bottom. This conclusion is based on the concept of hydrostatic approximation, which generalizes the concept of long-wavelength approximation and is used for justifying the applicability of the shallow-water theory in the simulation of wave flows of fluid with hydraulic bores.

The power of exact conditions in electronic structure theory

NASA Astrophysics Data System (ADS)

Bartlett, Rodney J.; Ranasinghe, Duminda S.

2017-02-01

Once electron correlation is included in an effective one-particle operator, one has a correlated orbital theory (COT). One such theory is Kohn-Sham density functional theory (KS-DFT), but there are others. Such methods have the prospect to redefine traditional Molecular Orbital (MO) theory by building a quantitative component upon its conceptual framework. This paper asks the question what conditions should such a theory satisfy and can this be accomplished? One such condition for a COT is that the orbital eigenvalues should satisfy an ionization theorem that generalizes Koopmans' approximation to the exact principal ionization potentials for every electron in a molecule. Guided by this principle, minimal parameterizations of KS-DFT are made that provide a good approximation to a quantitative MO theory.

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

Carone, Christopher D.; Erlich, Joshua; Vaman, Diana

A constraint of vanishing energy-momentum tensor is motivated by a variety of perspectives on quantum gravity. We demonstrate in a concrete example how this constraint leads to a metric-independent theory in which quantum gravity emerges as a nonperturbative artifact of regularization-scale physics. We analyze a scalar theory similar to the Dirac-Born-Infeld (DBI) theory with vanishing gauge fields, with the DBI Lagrangian modulated by a scalar potential. In the limit of a large number of scalars, we explicitly demonstrate the existence of a composite massless spin-2 graviton in the spectrum that couples to matter as in Einstein gravity. As a result,more » we comment on the cosmological constant problem and the generalization to theories with fermions and gauge fields.« less

Pions as gluons in higher dimensions

NASA Astrophysics Data System (ADS)

Cheung, Clifford; Remmen, Grant N.; Shen, Chia-Hsien; Wen, Congkao

2018-04-01

We derive the nonlinear sigma model as a peculiar dimensional reduction of Yang-Mills theory. In this framework, pions are reformulated as higher-dimensional gluons arranged in a kinematic configuration that only probes cubic interactions. This procedure yields a purely cubic action for the nonlinear sigma model that exhibits a symmetry enforcing color-kinematics duality. Remarkably, the associated kinematic algebra originates directly from the Poincaré algebra in higher dimensions. Applying the same construction to gravity yields a new quartic action for Born-Infeld theory and, applied once more, a cubic action for the special Galileon theory. Since the nonlinear sigma model and special Galileon are subtly encoded in the cubic sectors of Yang-Mills theory and gravity, respectively, their double copy relationship is automatic.

New massive gravity and AdS(4) counterterms.

PubMed

Jatkar, Dileep P; Sinha, Aninda

2011-04-29

We show that the recently proposed Dirac-Born-Infeld extension of new massive gravity emerges naturally as a counterterm in four-dimensional anti-de Sitter space (AdS(4)). The resulting on-shell Euclidean action is independent of the cutoff at zero temperature. We also find that the same choice of counterterm gives the usual area law for the AdS(4) Schwarzschild black hole entropy in a cutoff-independent manner. The parameter values of the resulting counterterm action correspond to a c=0 theory in the context of the duality between AdS(3) gravity and two-dimensional conformal field theory. We rewrite this theory in terms of the gauge field that is used to recast 3D gravity as a Chern-Simons theory.

Mosquito-borne viruses circulating in Kinshasa, Democratic Republic of the Congo.

PubMed

Mbanzulu, Kennedy Makola; Wumba, Roger; Mukendi, Jean-Pierre Kambala; Zanga, Josué Kikana; Shija, Fortunate; Bobanga, Thierry Lengu; Aloni, Michel Ntetani; Misinzo, Gerald

2017-04-01

Diseases caused by mosquito-borne viruses are among the most important emerging diseases that threaten human and animal health, particularly in Africa. However, little attention has been paid to these diseases in the Democratic Republic of the Congo (DRC). The present cross-sectional study was undertaken between March and May 2014 to investigate the presence of mosquito-borne viruses in mosquitoes collected from five municipalities of Kinshasa, DRC. Mosquitoes were collected using BG-Sentinel traps and battery-powered aspirators. Female mosquitoes were pooled according to their genera and sampling locations, preserved in RNAlater, and later screened for viruses using reverse transcription PCR (RT-PCR) assays. A total of 2922 mosquitoes were collected and 29 pools of female mosquitoes, containing approximately 30 mosquitoes each, were tested. Twelve of the 29 (41.4%) mosquito pools were found to be infected with at least one arbovirus, with eight (27.5%) pools positive for Alphavirus, nine (31%) for Flavivirus, and five (17.2%) for Bunyaviridae. Chikungunya, o'nyong'nyong, and Rift valley fever viruses were detected. The present study shows that mosquitoes in Kinshasa carry mosquito-borne viruses that may have serious public health implications. Further investigations on the presence of mosquito-borne viruses in the human and livestock populations of Kinshasa and DRC are recommended. Copyright © 2017 The Author(s). Published by Elsevier Ltd.. All rights reserved.

The influence of cross-order terms in interface mobilities for structure-borne sound source characterization

NASA Astrophysics Data System (ADS)

Bonhoff, H. A.; Petersson, B. A. T.

2010-08-01

For the characterization of structure-borne sound sources with multi-point or continuous interfaces, substantial simplifications and physical insight can be obtained by incorporating the concept of interface mobilities. The applicability of interface mobilities, however, relies upon the admissibility of neglecting the so-called cross-order terms. Hence, the objective of the present paper is to clarify the importance and significance of cross-order terms for the characterization of vibrational sources. From previous studies, four conditions have been identified for which the cross-order terms can become more influential. Such are non-circular interface geometries, structures with distinctively differing transfer paths as well as a suppression of the zero-order motion and cases where the contact forces are either in phase or out of phase. In a theoretical study, the former four conditions are investigated regarding the frequency range and magnitude of a possible strengthening of the cross-order terms. For an experimental analysis, two source-receiver installations are selected, suitably designed to obtain strong cross-order terms. The transmitted power and the source descriptors are predicted by the approximations of the interface mobility approach and compared with the complete calculations. Neglecting the cross-order terms can result in large misinterpretations at certain frequencies. On average, however, the cross-order terms are found to be insignificant and can be neglected with good approximation. The general applicability of interface mobilities for structure-borne sound source characterization and the description of the transmission process thereby is confirmed.

Pleural mesothelioma and lung cancer risks in relation to occupational history and asbestos lung burden

PubMed Central

Gilham, Clare; Rake, Christine; Burdett, Garry; Nicholson, Andrew G; Davison, Leslie; Franchini, Angelo; Carpenter, James; Hodgson, John; Darnton, Andrew; Peto, Julian

2016-01-01

Background We have conducted a population-based study of pleural mesothelioma patients with occupational histories and measured asbestos lung burdens in occupationally exposed workers and in the general population. The relationship between lung burden and risk, particularly at environmental exposure levels, will enable future mesothelioma rates in people born after 1965 who never installed asbestos to be predicted from their asbestos lung burdens. Methods Following personal interview asbestos fibres longer than 5 µm were counted by transmission electron microscopy in lung samples obtained from 133 patients with mesothelioma and 262 patients with lung cancer. ORs for mesothelioma were converted to lifetime risks. Results Lifetime mesothelioma risk is approximately 0.02% per 1000 amphibole fibres per gram of dry lung tissue over a more than 100-fold range, from 1 to 4 in the most heavily exposed building workers to less than 1 in 500 in most of the population. The asbestos fibres counted were amosite (75%), crocidolite (18%), other amphiboles (5%) and chrysotile (2%). Conclusions The approximate linearity of the dose–response together with lung burden measurements in younger people will provide reasonably reliable predictions of future mesothelioma rates in those born since 1965 whose risks cannot yet be seen in national rates. Burdens in those born more recently will indicate the continuing occupational and environmental hazards under current asbestos control regulations. Our results confirm the major contribution of amosite to UK mesothelioma incidence and the substantial contribution of non-occupational exposure, particularly in women. PMID:26715106

Emissivity of half-space random media. [in passive remote sensing

NASA Technical Reports Server (NTRS)

Tsang, L.; Kong, J. A.

1976-01-01

Scattering of electromagnetic waves by a half-space random medium with three-dimensional correlation functions is studied with the Born approximation. The emissivity is calculated from a simple integral and is illustrated for various cases. The results are valid over a wavelength range smaller or larger than the correlation lengths.

Handle with Care

ERIC Educational Resources Information Center

Merrill, Margaret C.

2006-01-01

The Centers for Disease Control estimates that every year 76 million Americans get some kind of food poisoning, more than 300,000 are hospitalized, and approximately 5,000 people die. A 2004 analysis by the Center for Science in the Public Interest indicates that contaminated produce is responsible for the greatest number of food-borne illnesses.…

Transitioning Young Adults with Autism: Hopes & Challenges for Parents

ERIC Educational Resources Information Center

Mookerjee, Veera

2012-01-01

Data generated by the Center for Disease Control (CDC) from the 2010 census indicates that out of four million children born in the United States "approximately 36,500 children will eventually be diagnosed with an [Autism Spectrum Disorder] ASD" ("http://www.cdc.gov/ncbddd/autism/data.html"). The process of caring for an…

A Cartoon in One Dimension of the Hydrogen Molecular Ion

ERIC Educational Resources Information Center

Dutta, Sourav; Ganguly, Shreemoyee; Dutta-Roy, Binayak

2008-01-01

To illustrate the basic methodology involved in the quantum mechanics of molecules, a one-dimensional caricature of the hydrogen molecular ion (H[superscript +][subscript 2]) is presented, which is exactly solvable, in the Born-Oppenheimer approximation, in terms of elementary functions. The purpose of the exercise is to elucidate in a simple…

Dietary Patterns and Intelligence in Early and Middle Childhood

ERIC Educational Resources Information Center

Theodore, Reremoana F.; Thompson, John M. D.; Waldie, Karen E.; Wall, Clare; Becroft, David M. O.; Robinson, Elizabeth; Wild, Chris J.; Clark, Philippa M.; Mitchell, Ed A.

2009-01-01

The association between intelligence and diet at 3.5 and 7 years was examined in 591 children of European descent. Approximately half of the children were born small-for-gestational age (birth weight @?10th percentile). The relationship between IQ and diet (measured by food frequency) was investigated using multiple regression analyses. Eating…

Magnetic Resonance Imaging--Insights into Brain Injury and Outcomes in Premature Infants

ERIC Educational Resources Information Center

Mathur, Amit; Inder, Terrie

2009-01-01

Preterm birth is a major public-health issue because of its increasing incidence combined with the frequent occurrence of subsequent behavioral, neurological, and psychiatric challenges faced by surviving infants. Approximately 10-15% of very preterm children (born less than 30 weeks gestational age) develop cerebral palsy, and 30-60% of them…

Lessons in Learning: More Education, Less Employment--Immigrants and the Labour Market

ERIC Educational Resources Information Center

Canadian Council on Learning, 2008

2008-01-01

Nearly one out of five Canadian residents was born outside of Canada and approximately two-thirds of Canada's population growth results from net international migration. Only Australia, where immigrants represent 24% of the population, has a greater percentage of immigrants than Canada (18%). Immigration is a major factor in Canada's economic…

Microbial profiling, neural network and semantic web: an integrated information system for human pathogen risk management, prevention and surveillance in food safety

USDA-ARS?s Scientific Manuscript database

It is estimated that food-borne pathogens cause approximately 76 million cases of gastrointestinal illnesses, 325,000 hospitalizations, and 5,000 deaths in the United States annually. Genomic, proteomic, and metabolomic studies, particularly, genome sequencing projects are providing valuable inform...

New approach to description of (d,xn) spectra at energies below 50 MeV in Monte Carlo simulation by intra-nuclear cascade code with Distorted Wave Born Approximation

NASA Astrophysics Data System (ADS)

Hashimoto, S.; Iwamoto, Y.; Sato, T.; Niita, K.; Boudard, A.; Cugnon, J.; David, J.-C.; Leray, S.; Mancusi, D.

2014-08-01

A new approach to describing neutron spectra of deuteron-induced reactions in the Monte Carlo simulation for particle transport has been developed by combining the Intra-Nuclear Cascade of Liège (INCL) and the Distorted Wave Born Approximation (DWBA) calculation. We incorporated this combined method into the Particle and Heavy Ion Transport code System (PHITS) and applied it to estimate (d,xn) spectra on natLi, 9Be, and natC targets at incident energies ranging from 10 to 40 MeV. Double differential cross sections obtained by INCL and DWBA successfully reproduced broad peaks and discrete peaks, respectively, at the same energies as those observed in experimental data. Furthermore, an excellent agreement was observed between experimental data and PHITS-derived results using the combined method in thick target neutron yields over a wide range of neutron emission angles in the reactions. We also applied the new method to estimate (d,xp) spectra in the reactions, and discussed the validity for the proton emission spectra.

Calculation of the age of the first infection for skin sores and scabies in five remote communities in northern Australia.

PubMed

Lydeamore, M J; Campbell, P T; Cuningham, W; Andrews, R M; Kearns, T; Clucas, D; Gundjirryirr Dhurrkay, R; Carapetis, J; Tong, S Y C; McCaw, J M; McVernon, J

2018-05-08

Prevalence of skin sores and scabies in remote Australian Aboriginal communities remains unacceptably high, with Group A Streptococcus (GAS) the dominant pathogen. We aim to better understand the drivers of GAS transmission using mathematical models. To estimate the force of infection, we quantified the age of first skin sores and scabies infection by pooling historical data from three studies conducted across five remote Aboriginal communities for children born between 2001 and 2005. We estimated the age of the first infection using the Kaplan-Meier estimator; parametric exponential mixture model; and Cox proportional hazards. For skin sores, the mean age of the first infection was approximately 10 months and the median was 7 months, with some heterogeneity in median observed by the community. For scabies, the mean age of the first infection was approximately 9 months and the median was 8 months, with significant heterogeneity by the community and an enhanced risk for children born between October and December. The young age of the first infection with skin sores and scabies reflects the high disease burden in these communities.

Relativistic corrections to the ground state of H2 calculated without using the Born-Oppenheimer approximation

NASA Astrophysics Data System (ADS)

Wang, L. M.; Yan, Z.-C.

2018-06-01

The Schrödinger equation for the ground state of the hydrogen molecule H2 is solved by applying the Rayleigh-Ritz variational method in Hylleraas coordinates without using the Born-Oppenheimer approximation. The nonrelativistic energy eigenvalue is converged to -1.164 025 030 880 (7 ) atomic units. The leading-order relativistic corrections, including the mass-velocity, Darwin, orbit-orbit, spin-spin, and relativistic recoil terms, are evaluated perturbatively. Together with the higher-order relativistic and quantum electrodynamic corrections obtained by Puchalski et al. [Phys. Rev. Lett. 117, 263002 (2016), 10.1103/PhysRevLett.117.263002], we determine the dissociation energy of the hydrogen molecule, D0=36 118.069 71 (33 ) cm-1 , which agrees with the two recent experimental results of Liu et al. [J. Chem. Phys. 130, 174306 (2009), 10.1063/1.3120443], 36 118.069 62 (37 ) cm-1 , and Altmann et al. [Phys. Rev. Lett. 120, 043204 (2018), 10.1103/PhysRevLett.120.043204], 36 118.069 45 (31 ) cm-1 .

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

Carbajal, L.; Warwick Univ., Coventry; Dendy, R. O.

Ion cyclotron emission (ICE) offers unique promise as a diagnostic of the fusion born alpha-particle population in magnetically confined plasmas. Pioneering observations from JET and TFTR found that ICE intensity P ICE scales approximately linearly with the measured neutron flux from fusion reactions, and with the inferred concentration, n /n i , of fusion-born alpha-particles confined within the plasma. We present fully nonlinear self-consistent kinetic simulations that reproduce this scaling for the first time. This resolves a longstanding question in the physics of fusion alpha particle confinement and stability in MCF plasmas. It confirms the MCI as the likely emissionmore » mechanism and greatly strengthens the basis for diagnostic exploitation of ICE in future burning plasmas.« less