Ab initio study of the Coulomb interaction in NbxCo clusters: Strong on-site versus weak nonlocal screening

NASA Astrophysics Data System (ADS)

Peters, L.; Şaşıoǧlu, E.; Mertig, I.; Katsnelson, M. I.

2018-01-01

By means of ab initio calculations in conjunction with the random-phase approximation (RPA) within the full-potential linearized augmented plane wave method, we study the screening of the Coulomb interaction in NbxCo (1 ≤x ≤9 ) clusters. In addition, these results are compared with pure bcc Nb bulk. We find that for all clusters the on-site Coulomb interaction in RPA is strongly screened, whereas the intersite nonlocal Coulomb interaction is weakly screened and for some clusters it is unscreened or even antiscreened. This is in strong contrast with pure Nb bulk, where the intersite Coulomb interaction is almost completely screened. Furthermore, constrained RPA calculations reveal that the contribution of the Co 3 d → 3 d channel to the total screening of the Co 3 d electrons is small. Moreover, we find that both the on-site and intersite Coulomb interaction parameters decrease in a reasonable approximation linearly with the cluster size and for clusters having more than 20 Nb atoms a transition from 0D to 3D screening is expected to take place.

Renormalization of effective interactions in a negative charge transfer insulator

NASA Astrophysics Data System (ADS)

Seth, Priyanka; Peil, Oleg E.; Pourovskii, Leonid; Betzinger, Markus; Friedrich, Christoph; Parcollet, Olivier; Biermann, Silke; Aryasetiawan, Ferdi; Georges, Antoine

2017-11-01

We compute from first principles the effective interaction parameters appropriate for a low-energy description of the rare-earth nickelate LuNiO3 involving the partially occupied eg states only. The calculation uses the constrained random-phase approximation and reveals that the effective on-site Coulomb repulsion is strongly reduced by screening effects involving the oxygen-p and nickel-t2 g states. The long-range component of the effective low-energy interaction is also found to be sizable. As a result, the effective on-site interaction between parallel-spin electrons is reduced down to a small negative value. This validates effective low-energy theories of these materials that were proposed earlier. Electronic structure methods combined with dynamical mean-field theory are used to construct and solve an appropriate low-energy model and explore its phase diagram as a function of the on-site repulsion and Hund's coupling. For the calculated values of these effective interactions, we find that in agreement with experiments, LuNiO3 is a metal without disproportionation of the eg occupancy when considered in its orthorhombic structure, while the monoclinic phase is a disproportionated insulator.

Statistical mechanics of budget-constrained auctions

NASA Astrophysics Data System (ADS)

Altarelli, F.; Braunstein, A.; Realpe-Gomez, J.; Zecchina, R.

2009-07-01

Finding the optimal assignment in budget-constrained auctions is a combinatorial optimization problem with many important applications, a notable example being in the sale of advertisement space by search engines (in this context the problem is often referred to as the off-line AdWords problem). On the basis of the cavity method of statistical mechanics, we introduce a message-passing algorithm that is capable of solving efficiently random instances of the problem extracted from a natural distribution, and we derive from its properties the phase diagram of the problem. As the control parameter (average value of the budgets) is varied, we find two phase transitions delimiting a region in which long-range correlations arise.

Reproduction of exact solutions of Lipkin model by nonlinear higher random-phase approximation

NASA Astrophysics Data System (ADS)

Terasaki, J.; Smetana, A.; Šimkovic, F.; Krivoruchenko, M. I.

2017-10-01

It is shown that the random-phase approximation (RPA) method with its nonlinear higher generalization, which was previously considered as approximation except for a very limited case, reproduces the exact solutions of the Lipkin model. The nonlinear higher RPA is based on an equation nonlinear on eigenvectors and includes many-particle-many-hole components in the creation operator of the excited states. We demonstrate the exact character of solutions analytically for the particle number N = 2 and numerically for N = 8. This finding indicates that the nonlinear higher RPA is equivalent to the exact Schrödinger equation.

Quasiparticle random phase approximation uncertainties and their correlations in the analysis of 0{nu}{beta}{beta} decay

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

Faessler, Amand; Rodin, V.; Fogli, G. L.

2009-03-01

The variances and covariances associated to the nuclear matrix elements of neutrinoless double beta decay (0{nu}{beta}{beta}) are estimated within the quasiparticle random phase approximation. It is shown that correlated nuclear matrix elements uncertainties play an important role in the comparison of 0{nu}{beta}{beta} decay rates for different nuclei, and that they are degenerate with the uncertainty in the reconstructed Majorana neutrino mass.

Random versus maximum entropy models of neural population activity

NASA Astrophysics Data System (ADS)

Ferrari, Ulisse; Obuchi, Tomoyuki; Mora, Thierry

2017-04-01

The principle of maximum entropy provides a useful method for inferring statistical mechanics models from observations in correlated systems, and is widely used in a variety of fields where accurate data are available. While the assumptions underlying maximum entropy are intuitive and appealing, its adequacy for describing complex empirical data has been little studied in comparison to alternative approaches. Here, data from the collective spiking activity of retinal neurons is reanalyzed. The accuracy of the maximum entropy distribution constrained by mean firing rates and pairwise correlations is compared to a random ensemble of distributions constrained by the same observables. For most of the tested networks, maximum entropy approximates the true distribution better than the typical or mean distribution from that ensemble. This advantage improves with population size, with groups as small as eight being almost always better described by maximum entropy. Failure of maximum entropy to outperform random models is found to be associated with strong correlations in the population.

On the stability of a quasicrystal and its crystalline approximant in a system of hard disks with a soft corona

NASA Astrophysics Data System (ADS)

Pattabhiraman, Harini; Gantapara, Anjan P.; Dijkstra, Marjolein

2015-10-01

Using computer simulations, we study the phase behavior of a model system of colloidal hard disks with a diameter σ and a soft corona of width 1.4σ. The particles interact with a hard core and a repulsive square-shoulder potential. We calculate the free energy of the random-tiling quasicrystal and its crystalline approximants using the Frenkel-Ladd method. We explicitly account for the configurational entropy associated with the number of distinct configurations of the random-tiling quasicrystal. We map out the phase diagram and find that the random tiling dodecagonal quasicrystal is stabilised by entropy at finite temperatures with respect to the crystalline approximants that we considered, and its stability region seems to extend to zero temperature as the energies of the defect-free quasicrystal and the crystalline approximants are equal within our statistical accuracy.

Random phase detection in multidimensional NMR.

PubMed

Maciejewski, Mark W; Fenwick, Matthew; Schuyler, Adam D; Stern, Alan S; Gorbatyuk, Vitaliy; Hoch, Jeffrey C

2011-10-04

Despite advances in resolution accompanying the development of high-field superconducting magnets, biomolecular applications of NMR require multiple dimensions in order to resolve individual resonances, and the achievable resolution is typically limited by practical constraints on measuring time. In addition to the need for measuring long evolution times to obtain high resolution, the need to distinguish the sign of the frequency constrains the ability to shorten measuring times. Sign discrimination is typically accomplished by sampling the signal with two different receiver phases or by selecting a reference frequency outside the range of frequencies spanned by the signal and then sampling at a higher rate. In the parametrically sampled (indirect) time dimensions of multidimensional NMR experiments, either method imposes an additional factor of 2 sampling burden for each dimension. We demonstrate that by using a single detector phase at each time sample point, but randomly altering the phase for different points, the sign ambiguity that attends fixed single-phase detection is resolved. Random phase detection enables a reduction in experiment time by a factor of 2 for each indirect dimension, amounting to a factor of 8 for a four-dimensional experiment, albeit at the cost of introducing sampling artifacts. Alternatively, for fixed measuring time, random phase detection can be used to double resolution in each indirect dimension. Random phase detection is complementary to nonuniform sampling methods, and their combination offers the potential for additional benefits. In addition to applications in biomolecular NMR, random phase detection could be useful in magnetic resonance imaging and other signal processing contexts.

Photoionization cross sections for atomic chlorine using an open-shell random phase approximation

NASA Technical Reports Server (NTRS)

Starace, A. F.; Armstrong, L., Jr.

1975-01-01

The use of the Random Phase Approximation with Exchange (RPAE) for calculating partial and total photoionization cross sections and photoelectron angular distributions for open shell atoms is examined for atomic chlorine. Whereas the RPAE corrections in argon (Z=18) are large, it is found that those in chlorine (Z=17) are much smaller due to geometric factors. Hartree-Fock calculations with and without core relaxation are also presented. Sizable deviations from the close coupling results of Conneely are also found.

Role of small-norm components in extended random-phase approximation

NASA Astrophysics Data System (ADS)

Tohyama, Mitsuru

2017-09-01

The role of the small-norm amplitudes in extended random-phase approximation (RPA) theories such as the particle-particle and hole-hole components of one-body amplitudes and the two-body amplitudes other than two-particle/two-hole components are investigated for the one-dimensional Hubbard model using an extended RPA derived from the time-dependent density matrix theory. It is found that these amplitudes cannot be neglected in strongly interacting regions where the effects of ground-state correlations are significant.

Restoring the Pauli principle in the random phase approximation ground state

NASA Astrophysics Data System (ADS)

Kosov, D. S.

2017-12-01

Random phase approximation ground state contains electronic configurations where two (and more) identical electrons can occupy the same molecular spin-orbital violating the Pauli exclusion principle. This overcounting of electronic configurations happens due to quasiboson approximation in the treatment of electron-hole pair operators. We describe the method to restore the Pauli principle in the RPA wavefunction. The proposed theory is illustrated by the calculations of molecular dipole moments and electronic kinetic energies. The Hartree-Fock based RPA, which is corrected for the Pauli principle, gives the results of comparable accuracy with Møller-Plesset second order perturbation theory and coupled-cluster singles and doubles method.

Analytic Interatomic Forces in the Random Phase Approximation

NASA Astrophysics Data System (ADS)

Ramberger, Benjamin; Schäfer, Tobias; Kresse, Georg

2017-03-01

We discuss that in the random phase approximation (RPA) the first derivative of the energy with respect to the Green's function is the self-energy in the G W approximation. This relationship allows us to derive compact equations for the RPA interatomic forces. We also show that position dependent overlap operators are elegantly incorporated in the present framework. The RPA force equations have been implemented in the projector augmented wave formalism, and we present illustrative applications, including ab initio molecular dynamics simulations, the calculation of phonon dispersion relations for diamond and graphite, as well as structural relaxations for water on boron nitride. The present derivation establishes a concise framework for forces within perturbative approaches and is also applicable to more involved approximations for the correlation energy.

The Kubo-Greenwood formula as a result of the random phase approximation for the electrons of the metal

NASA Astrophysics Data System (ADS)

Ivliev, S. V.

2017-12-01

For calculation of short laser pulse absorption in metal the imaginary part of permittivity, which is simply related to the conductivity, is required. Currently to find the static and dynamic conductivity the Kubo-Greenwood formula is most commonly used. It describes the electromagnetic energy absorption in the one-electron approach. In the present study, this formula is derived directly from the expression for the permittivity expression in the random phase approximation, which in fact is equivalent to the method of the mean field. The detailed analysis of the role of electron-electron interaction in the calculation of the matrix elements of the velocity operator is given. It is shown that in the one-electron random phase approximation the single-particle conductive electron wave functions in the field of fixed ions should be used. The possibility of considering the exchange and correlation effects by means of an amendment to a local function field is discussed.

Tensor hypercontracted ppRPA: Reducing the cost of the particle-particle random phase approximation from O(r {sup 6}) to O(r {sup 4})

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

Shenvi, Neil; Yang, Yang; Yang, Weitao

In recent years, interest in the random-phase approximation (RPA) has grown rapidly. At the same time, tensor hypercontraction has emerged as an intriguing method to reduce the computational cost of electronic structure algorithms. In this paper, we combine the particle-particle random phase approximation with tensor hypercontraction to produce the tensor-hypercontracted particle-particle RPA (THC-ppRPA) algorithm. Unlike previous implementations of ppRPA which scale as O(r{sup 6}), the THC-ppRPA algorithm scales asymptotically as only O(r{sup 4}), albeit with a much larger prefactor than the traditional algorithm. We apply THC-ppRPA to several model systems and show that it yields the same results as traditionalmore » ppRPA to within mH accuracy. Our method opens the door to the development of post-Kohn Sham functionals based on ppRPA without the excessive asymptotic cost of traditional ppRPA implementations.« less

Tensor hypercontracted ppRPA: Reducing the cost of the particle-particle random phase approximation from O(r 6) to O(r 4)

NASA Astrophysics Data System (ADS)

Shenvi, Neil; van Aggelen, Helen; Yang, Yang; Yang, Weitao

2014-07-01

In recent years, interest in the random-phase approximation (RPA) has grown rapidly. At the same time, tensor hypercontraction has emerged as an intriguing method to reduce the computational cost of electronic structure algorithms. In this paper, we combine the particle-particle random phase approximation with tensor hypercontraction to produce the tensor-hypercontracted particle-particle RPA (THC-ppRPA) algorithm. Unlike previous implementations of ppRPA which scale as O(r6), the THC-ppRPA algorithm scales asymptotically as only O(r4), albeit with a much larger prefactor than the traditional algorithm. We apply THC-ppRPA to several model systems and show that it yields the same results as traditional ppRPA to within mH accuracy. Our method opens the door to the development of post-Kohn Sham functionals based on ppRPA without the excessive asymptotic cost of traditional ppRPA implementations.

Maximum-entropy probability distributions under Lp-norm constraints

NASA Technical Reports Server (NTRS)

Dolinar, S.

1991-01-01

Continuous probability density functions and discrete probability mass functions are tabulated which maximize the differential entropy or absolute entropy, respectively, among all probability distributions with a given L sub p norm (i.e., a given pth absolute moment when p is a finite integer) and unconstrained or constrained value set. Expressions for the maximum entropy are evaluated as functions of the L sub p norm. The most interesting results are obtained and plotted for unconstrained (real valued) continuous random variables and for integer valued discrete random variables. The maximum entropy expressions are obtained in closed form for unconstrained continuous random variables, and in this case there is a simple straight line relationship between the maximum differential entropy and the logarithm of the L sub p norm. Corresponding expressions for arbitrary discrete and constrained continuous random variables are given parametrically; closed form expressions are available only for special cases. However, simpler alternative bounds on the maximum entropy of integer valued discrete random variables are obtained by applying the differential entropy results to continuous random variables which approximate the integer valued random variables in a natural manner. All the results are presented in an integrated framework that includes continuous and discrete random variables, constraints on the permissible value set, and all possible values of p. Understanding such as this is useful in evaluating the performance of data compression schemes.

QRAP: A numerical code for projected (Q)uasiparticle (RA)ndom (P)hase approximation

NASA Astrophysics Data System (ADS)

Samana, A. R.; Krmpotić, F.; Bertulani, C. A.

2010-06-01

A computer code for quasiparticle random phase approximation - QRPA and projected quasiparticle random phase approximation - PQRPA models of nuclear structure is explained in details. The residual interaction is approximated by a simple δ-force. An important application of the code consists in evaluating nuclear matrix elements involved in neutrino-nucleus reactions. As an example, cross sections for 56Fe and 12C are calculated and the code output is explained. The application to other nuclei and the description of other nuclear and weak decay processes are also discussed. Program summaryTitle of program: QRAP ( Quasiparticle RAndom Phase approximation) Computers: The code has been created on a PC, but also runs on UNIX or LINUX machines Operating systems: WINDOWS or UNIX Program language used: Fortran-77 Memory required to execute with typical data: 16 Mbytes of RAM memory and 2 MB of hard disk space No. of lines in distributed program, including test data, etc.: ˜ 8000 No. of bytes in distributed program, including test data, etc.: ˜ 256 kB Distribution format: tar.gz Nature of physical problem: The program calculates neutrino- and antineutrino-nucleus cross sections as a function of the incident neutrino energy, and muon capture rates, using the QRPA or PQRPA as nuclear structure models. Method of solution: The QRPA, or PQRPA, equations are solved in a self-consistent way for even-even nuclei. The nuclear matrix elements for the neutrino-nucleus interaction are treated as the beta inverse reaction of odd-odd nuclei as function of the transfer momentum. Typical running time: ≈ 5 min on a 3 GHz processor for Data set 1.

Phase diagrams of Janus fluids with up-down constrained orientations

NASA Astrophysics Data System (ADS)

Fantoni, Riccardo; Giacometti, Achille; Maestre, Miguel Ángel G.; Santos, Andrés

2013-11-01

A class of binary mixtures of Janus fluids formed by colloidal spheres with the hydrophobic hemispheres constrained to point either up or down are studied by means of Gibbs ensemble Monte Carlo simulations and simple analytical approximations. These fluids can be experimentally realized by the application of an external static electrical field. The gas-liquid and demixing phase transitions in five specific models with different patch-patch affinities are analyzed. It is found that a gas-liquid transition is present in all the models, even if only one of the four possible patch-patch interactions is attractive. Moreover, provided the attraction between like particles is stronger than between unlike particles, the system demixes into two subsystems with different composition at sufficiently low temperatures and high densities.

Singles correlation energy contributions in solids

NASA Astrophysics Data System (ADS)

Klimeš, Jiří; Kaltak, Merzuk; Maggio, Emanuele; Kresse, Georg

2015-09-01

The random phase approximation to the correlation energy often yields highly accurate results for condensed matter systems. However, ways how to improve its accuracy are being sought and here we explore the relevance of singles contributions for prototypical solid state systems. We set out with a derivation of the random phase approximation using the adiabatic connection and fluctuation dissipation theorem, but contrary to the most commonly used derivation, the density is allowed to vary along the coupling constant integral. This yields results closely paralleling standard perturbation theory. We re-derive the standard singles of Görling-Levy perturbation theory [A. Görling and M. Levy, Phys. Rev. A 50, 196 (1994)], highlight the analogy of our expression to the renormalized singles introduced by Ren and coworkers [Phys. Rev. Lett. 106, 153003 (2011)], and introduce a new approximation for the singles using the density matrix in the random phase approximation. We discuss the physical relevance and importance of singles alongside illustrative examples of simple weakly bonded systems, including rare gas solids (Ne, Ar, Xe), ice, adsorption of water on NaCl, and solid benzene. The effect of singles on covalently and metallically bonded systems is also discussed.

Stochastic reduced order models for inverse problems under uncertainty

PubMed Central

Warner, James E.; Aquino, Wilkins; Grigoriu, Mircea D.

2014-01-01

This work presents a novel methodology for solving inverse problems under uncertainty using stochastic reduced order models (SROMs). Given statistical information about an observed state variable in a system, unknown parameters are estimated probabilistically through the solution of a model-constrained, stochastic optimization problem. The point of departure and crux of the proposed framework is the representation of a random quantity using a SROM - a low dimensional, discrete approximation to a continuous random element that permits e cient and non-intrusive stochastic computations. Characterizing the uncertainties with SROMs transforms the stochastic optimization problem into a deterministic one. The non-intrusive nature of SROMs facilitates e cient gradient computations for random vector unknowns and relies entirely on calls to existing deterministic solvers. Furthermore, the method is naturally extended to handle multiple sources of uncertainty in cases where state variable data, system parameters, and boundary conditions are all considered random. The new and widely-applicable SROM framework is formulated for a general stochastic optimization problem in terms of an abstract objective function and constraining model. For demonstration purposes, however, we study its performance in the specific case of inverse identification of random material parameters in elastodynamics. We demonstrate the ability to efficiently recover random shear moduli given material displacement statistics as input data. We also show that the approach remains effective for the case where the loading in the problem is random as well. PMID:25558115

Fast Constrained Spectral Clustering and Cluster Ensemble with Random Projection

PubMed Central

Liu, Wenfen

2017-01-01

Constrained spectral clustering (CSC) method can greatly improve the clustering accuracy with the incorporation of constraint information into spectral clustering and thus has been paid academic attention widely. In this paper, we propose a fast CSC algorithm via encoding landmark-based graph construction into a new CSC model and applying random sampling to decrease the data size after spectral embedding. Compared with the original model, the new algorithm has the similar results with the increase of its model size asymptotically; compared with the most efficient CSC algorithm known, the new algorithm runs faster and has a wider range of suitable data sets. Meanwhile, a scalable semisupervised cluster ensemble algorithm is also proposed via the combination of our fast CSC algorithm and dimensionality reduction with random projection in the process of spectral ensemble clustering. We demonstrate by presenting theoretical analysis and empirical results that the new cluster ensemble algorithm has advantages in terms of efficiency and effectiveness. Furthermore, the approximate preservation of random projection in clustering accuracy proved in the stage of consensus clustering is also suitable for the weighted k-means clustering and thus gives the theoretical guarantee to this special kind of k-means clustering where each point has its corresponding weight. PMID:29312447

Insight into organic reactions from the direct random phase approximation and its corrections

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

Ruzsinszky, Adrienn; Zhang, Igor Ying; Scheffler, Matthias

2015-10-14

The performance of the random phase approximation (RPA) and beyond-RPA approximations for the treatment of electron correlation is benchmarked on three different molecular test sets. The test sets are chosen to represent three typical sources of error which can contribute to the failure of most density functional approximations in chemical reactions. The first test set (atomization and n-homodesmotic reactions) offers a gradually increasing balance of error from the chemical environment. The second test set (Diels-Alder reaction cycloaddition = DARC) reflects more the effect of weak dispersion interactions in chemical reactions. Finally, the third test set (self-interaction error 11 = SIE11)more » represents reactions which are exposed to noticeable self-interaction errors. This work seeks to answer whether any one of the many-body approximations considered here successfully addresses all these challenges.« less

Phase retrieval in generalized optical interferometry systems.

PubMed

Farriss, Wesley E; Fienup, James R; Malhotra, Tanya; Vamivakas, A Nick

2018-02-05

Modal analysis of an optical field via generalized interferometry (GI) is a novel technique that treats said field as a linear superposition of transverse modes and recovers the amplitudes of modal weighting coefficients. We use phase retrieval by nonlinear optimization to recover the phase of these modal weighting coefficients. Information diversity increases the robustness of the algorithm by better constraining the solution. Additionally, multiple sets of random starting phase values assist the algorithm in overcoming local minima. The algorithm was able to recover nearly all coefficient phases for simulated fields consisting of up to 21 superpositioned Hermite Gaussian modes from simulated data and proved to be resilient to shot noise.

Propagation in Striated Media

DTIC Science & Technology

1976-05-01

random walk photon scattering, geometric optics refraction at a thin phase screen, plane wave scattering from a thin screen in the Fraunhofer limit and...significant cases. In the geometric optics regime the distribution of density of allowable multipath rays is gsslanly distributed and the power...3.1 Random Walk Approach to Scattering 10 3.2 Phase Screen Approximation to Strong Scattering 13 3.3 Ray Optics and Stationary Phase Analysis 21 3,3,1

Application of a Boson Expansion Formalism Based on the Random Phase Approximation to Samarium Isotopes

NASA Astrophysics Data System (ADS)

Jamaluddin, Muzhar Bin

The Boson Expansion Theory of Kishimoto and Tamura has proved to be very successful in describing quadrupole collective motions in even-even nuclei. This theory, however, involves a complicated transformation from the Tamm-Dancoff phonons to the phonons of the Random Phase Approximation. In this thesis a Boson Expansion formalism, derived directly from the Random Phase Approximation and set forth by Pedracchi and Tamura, is used to derive the boson forms of the nuclear Hamiltonian and the electromagnetic transition operator. Detailed discussions of the formalism of Pedrocchi and Tamura and its extension needed to perform realistic calculations are presented. The technique used to deriving the boson forms and the formulae used in the calculations are also given a thorough treatment to demonstrate the simplicity of this approach. Finally, the theory is tested by applying it to calculate the energy levels and some electromagnetic properties of the Samarium isotopes. The results show that the present theory is capable of describing the range of behavior from a vibrational to a rotational character of the Samarium isotopes as good as the previous theory.

Application of an extended random-phase approximation to giant resonances in light-, medium-, and heavy-mass nuclei

NASA Astrophysics Data System (ADS)

Tselyaev, V.; Lyutorovich, N.; Speth, J.; Krewald, S.; Reinhard, P.-G.

2016-09-01

We present results of the time blocking approximation (TBA) for giant resonances in light-, medium-, and heavy-mass nuclei. The TBA is an extension of the widely used random-phase approximation (RPA) adding complex configurations by coupling to phonon excitations. A new method for handling the single-particle continuum is developed and applied in the present calculations. We investigate in detail the dependence of the numerical results on the size of the single-particle space and the number of phonons as well as on nuclear matter properties. Our approach is self-consistent, based on an energy-density functional of Skyrme type where we used seven different parameter sets. The numerical results are compared with experimental data.

Structure of neutron star crusts from new Skyrme effective interactions constrained by chiral effective field theory

NASA Astrophysics Data System (ADS)

Lim, Yeunhwan; Holt, Jeremy W.

2017-06-01

We investigate the structure of neutron star crusts, including the crust-core boundary, based on new Skyrme mean field models constrained by the bulk-matter equation of state from chiral effective field theory and the ground-state energies of doubly-magic nuclei. Nuclear pasta phases are studied using both the liquid drop model as well as the Thomas-Fermi approximation. We compare the energy per nucleon for each geometry (spherical nuclei, cylindrical nuclei, nuclear slabs, cylindrical holes, and spherical holes) to obtain the ground state phase as a function of density. We find that the size of the Wigner-Seitz cell depends strongly on the model parameters, especially the coefficients of the density gradient interaction terms. We employ also the thermodynamic instability method to check the validity of the numerical solutions based on energy comparisons.

Accurate Quasiparticle Spectra from the T-Matrix Self-Energy and the Particle-Particle Random Phase Approximation.

PubMed

Zhang, Du; Su, Neil Qiang; Yang, Weitao

2017-07-20

The GW self-energy, especially G 0 W 0 based on the particle-hole random phase approximation (phRPA), is widely used to study quasiparticle (QP) energies. Motivated by the desirable features of the particle-particle (pp) RPA compared to the conventional phRPA, we explore the pp counterpart of GW, that is, the T-matrix self-energy, formulated with the eigenvectors and eigenvalues of the ppRPA matrix. We demonstrate the accuracy of the T-matrix method for molecular QP energies, highlighting the importance of the pp channel for calculating QP spectra.

Density-matrix based determination of low-energy model Hamiltonians from ab initio wavefunctions

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

Changlani, Hitesh J.; Zheng, Huihuo; Wagner, Lucas K.

2015-09-14

We propose a way of obtaining effective low energy Hubbard-like model Hamiltonians from ab initio quantum Monte Carlo calculations for molecular and extended systems. The Hamiltonian parameters are fit to best match the ab initio two-body density matrices and energies of the ground and excited states, and thus we refer to the method as ab initio density matrix based downfolding. For benzene (a finite system), we find good agreement with experimentally available energy gaps without using any experimental inputs. For graphene, a two dimensional solid (extended system) with periodic boundary conditions, we find the effective on-site Hubbard U{sup ∗}/t tomore » be 1.3 ± 0.2, comparable to a recent estimate based on the constrained random phase approximation. For molecules, such parameterizations enable calculation of excited states that are usually not accessible within ground state approaches. For solids, the effective Hamiltonian enables large-scale calculations using techniques designed for lattice models.« less

Adsorption energies of benzene on close packed transition metal surfaces using the random phase approximation

NASA Astrophysics Data System (ADS)

Garrido Torres, José A.; Ramberger, Benjamin; Früchtl, Herbert A.; Schaub, Renald; Kresse, Georg

2017-11-01

The adsorption energy of benzene on various metal substrates is predicted using the random phase approximation (RPA) for the correlation energy. Agreement with available experimental data is systematically better than 10% for both coinage and reactive metals. The results are also compared with more approximate methods, including van der Waals density functional theory (DFT), as well as dispersion-corrected DFT functionals. Although dispersion-corrected DFT can yield accurate results, for instance, on coinage metals, the adsorption energies are clearly overestimated on more reactive transition metals. Furthermore, coverage dependent adsorption energies are well described by the RPA. This shows that for the description of aromatic molecules on metal surfaces further improvements in density functionals are necessary, or more involved many-body methods such as the RPA are required.

Role of vertex corrections in the matrix formulation of the random phase approximation for the multiorbital Hubbard model

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

Altmeyer, Michaela; Guterding, Daniel; Hirschfeld, P. J.

2016-12-21

In the framework of a multiorbital Hubbard model description of superconductivity, a matrix formulation of the superconducting pairing interaction that has been widely used is designed to treat spin, charge, and orbital fluctuations within a random phase approximation (RPA). In terms of Feynman diagrams, this takes into account particle-hole ladder and bubble contributions as expected. It turns out, however, that this matrix formulation also generates additional terms which have the diagrammatic structure of vertex corrections. Furthermore we examine these terms and discuss the relationship between the matrix-RPA superconducting pairing interaction and the Feynman diagrams that it sums.

Photons in dense nuclear matter: Random-phase approximation

NASA Astrophysics Data System (ADS)

Stetina, Stephan; Rrapaj, Ermal; Reddy, Sanjay

2018-04-01

We present a comprehensive and pedagogic discussion of the properties of photons in cold and dense nuclear matter based on the resummed one-loop photon self-energy. Correlations among electrons, muons, protons, and neutrons in β equilibrium that arise as a result of electromagnetic and strong interactions are consistently taken into account within the random phase approximation. Screening effects, damping, and collective excitations are systematically studied in a fully relativistic setup. Our study is relevant to the linear response theory of dense nuclear matter, calculations of transport properties of cold dense matter, and investigations of the production and propagation of hypothetical vector bosons such as the dark photons.

Application of a Boson Expansion formalism based on the Random Phase Approximation to samarium isotopes

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

Jamaluddin, M.B.

1986-01-01

The Boson Expansion Theory of Kishimoto and Tamura has proved to be very successful in describing quadrupole collective motions in even-even nuclei. This theory, however, involves a complicated transformation from the Tamm-Dancoff phonons to the phonons of the random Phase Approximation. In this thesis a Boson Expansion formalism, derived directly from the Random Phase Approximation and set forth by Pedracchi and Tamura, is used to derive the boson forms of the nuclear Hamiltonian and the electromagnetic transition operator. Detailed discussions of the formalism of Pedrocchi and Tamura and its extension needed to perform realistic calculations are presented. The technique usedmore » to deriving the boson forms and the formulae used in the calculations are also given a thorough treatment to demonstrate the simplicity of this approach. Finally, the theory is tested by applying it to calculate the energy levels and some electromagnetic properties of the Samarium isotopes. The results show that the present theory is capable of describing the range of behavior from a vibrational to a rotational character of the Samarium isotopes as well as the previous theory.« less

Constraints on Martian Aerosol Particles Using MGS/TES and HST Data: Shapes

NASA Astrophysics Data System (ADS)

Wolff, M. J.; Clancy, R. T.; Pitman, K. M.; Bell, J. F.; James, P. B.

2001-12-01

In order to constrain the shape of water ice and dust aerosols, we have combined a numerical approach for axisymmetric particle shapes, i.e., cylinders, disks, spheroids (Waterman's T-Matrix approach as improved by Mishchenko and collaborators; cf., Mishchenko et al. 1997, JGR, 102, D14, 16,831), with a multiple-scattering radiative transfer algorithm. We utilize a two-stage iterative process. First, we empirically derive a scattering phase function for each aerosol component from radiative transfer models of Mars Global Surveyor Thermal Emission Spectrometer Emission Phase Function (EPF) sequences. Next, we perform a series of scattering calculations, adjusting our parameters to arrive at a ``best-fit'' theoretical phase function. It is important to note that in addition to randomly-oriented particles, we explicitly consider the possibility of (partially) aligned aerosol particles as well. Thus far, we have been analyzing the three empirically-derived presented by Clancy et al. (this meeting): dust, Type I ice particles (effective radii ~ 1-2 microns), and Type II ice particles (effective radii ~ 3-4 microns). We find that the ``dust'' phase function is best fit by randomly-oriented cylinders with an axial ratio (D/L = diameter-to-length) of either 2.3 or 0.6. Similarly, the shape of the Type II ice curve is reasonably reproduced by randomly-oriented spheroids with an axial ratio of either 0.7 or 1.4. However, neither of the two shapes (nor that of spheres or randomly-oriented hexagonal prisms) can reproduce the phase function derived for the Type I ice. This led to the direct consideration of oriented or aligned particles. which, at least qualitatively, have the ability to account for the phase function shapes for both Type I and II ice particles. The difference between these two phase functions may represent the degree of alignment, with the Type II particles being much less-aligned. The calculations for partially aligned particles is quite numerically intensive and this avenue of research is currently in progress. Additional work is also being done to further constrain the dust aerosol properties using both TES visible/IR and Hubble Space Telescope UV-NIR spectroscopy/imaging data of the recent (and ongoing) Martian global dust storm. Our work has been supported through NASA (MDAP) grant NAG5-9820, (MED) JPL contract 961471, STScI GO programs #8577 and #9052.

Low-lying dipole response in the stable 40,48Ca nuclei within the second random-phase approximation

NASA Astrophysics Data System (ADS)

Gambacurta, D.; Grasso, M.; Catara, F.

2012-10-01

The low-lying dipole strength distributions of 40CaCa and 48Ca, in the energy region between 5 and 10 MeV, are studied within the second random phase approximation (RPA) with Skyrme interaction. Standard RPA models do not usually predict any presence of strength in this energy region, while experimentally a significant amount of strength is found. The inclusion of the 2 particle -2 hole configurations allows to obtain a description in a rather good agreement with the experimental data. The properties of the most collective state are analyzed in terms of its 1 particle -1 hole nature and its transition densities.

Computational wavelength resolution for in-line lensless holography: phase-coded diffraction patterns and wavefront group-sparsity

NASA Astrophysics Data System (ADS)

Katkovnik, Vladimir; Shevkunov, Igor; Petrov, Nikolay V.; Egiazarian, Karen

2017-06-01

In-line lensless holography is considered with a random phase modulation at the object plane. The forward wavefront propagation is modelled using the Fourier transform with the angular spectrum transfer function. The multiple intensities (holograms) recorded by the sensor are random due to the random phase modulation and noisy with Poissonian noise distribution. It is shown by computational experiments that high-accuracy reconstructions can be achieved with resolution going up to the two thirds of the wavelength. With respect to the sensor pixel size it is a super-resolution with a factor of 32. The algorithm designed for optimal superresolution phase/amplitude reconstruction from Poissonian data is based on the general methodology developed for phase retrieval with a pixel-wise resolution in V. Katkovnik, "Phase retrieval from noisy data based on sparse approximation of object phase and amplitude", http://www.cs.tut.fi/ lasip/DDT/index3.html.

Simulation of Two-Phase Flow Based on a Thermodynamically Constrained Averaging Theory Flow Model

NASA Astrophysics Data System (ADS)

Weigand, T. M.; Dye, A. L.; McClure, J. E.; Farthing, M. W.; Gray, W. G.; Miller, C. T.

2014-12-01

The thermodynamically constrained averaging theory (TCAT) has been used to formulate general classes of porous medium models, including new models for two-fluid-phase flow. The TCAT approach provides advantages that include a firm connection between the microscale, or pore scale, and the macroscale; a thermodynamically consistent basis; explicit inclusion of factors such as interfacial areas, contact angles, interfacial tension, and curvatures; and dynamics of interface movement and relaxation to an equilibrium state. In order to render the TCAT model solvable, certain closure relations are needed to relate fluid pressure, interfacial areas, curvatures, and relaxation rates. In this work, we formulate and solve a TCAT-based two-fluid-phase flow model. We detail the formulation of the model, which is a specific instance from a hierarchy of two-fluid-phase flow models that emerge from the theory. We show the closure problem that must be solved. Using recent results from high-resolution microscale simulations, we advance a set of closure relations that produce a closed model. Lastly, we use locally conservative spatial discretization and higher order temporal discretization methods to approximate the solution to this new model and compare the solution to the traditional model.

The Amorphous Composition of Three Mudstone Samples from Gale Crater: Implications for Weathering and Diagenetic Processes on Mars

NASA Technical Reports Server (NTRS)

Achilles, C. N.; Downs, R. T.; Rampe, E. B.; Morris, R. V.; Bristow, T. F.; Ming, D. W.; Blake, D. F.; Vaniman, D. T.; Morrison, S. M.; Sutter, B.;

A minimalistic approach to static and dynamic electron correlations: Amending generalized valence bond method with extended random phase approximation correlation correction

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

Chatterjee, Koushik; Jawulski, Konrad; Pastorczak, Ewa

A perfect-pairing generalized valence bond (GVB) approximation is known to be one of the simplest approximations, which allows one to capture the essence of static correlation in molecular systems. In spite of its attractive feature of being relatively computationally efficient, this approximation misses a large portion of dynamic correlation and does not offer sufficient accuracy to be generally useful for studying electronic structure of molecules. We propose to correct the GVB model and alleviate some of its deficiencies by amending it with the correlation energy correction derived from the recently formulated extended random phase approximation (ERPA). On the examples ofmore » systems of diverse electronic structures, we show that the resulting ERPA-GVB method greatly improves upon the GVB model. ERPA-GVB recovers most of the electron correlation and it yields energy barrier heights of excellent accuracy. Thanks to a balanced treatment of static and dynamic correlation, ERPA-GVB stays reliable when one moves from systems dominated by dynamic electron correlation to those for which the static correlation comes into play.« less

Constraining Relativistic Bow Shock Properties in Rotation-Powered Millisecond Pulsar Binaries

NASA Technical Reports Server (NTRS)

Wadiasingh, Zorawar; Harding, Alice K.; Venter, Christo; Bottcher, Markus; Baring, Matthew G.

2017-01-01

Multiwavelength follow-up of unidentified Fermi sources has vastly expanded the number of known galactic-field "black widow" and "redback" millisecond pulsar binaries. Focusing on their rotation-powered state, we interpret the radio to X-ray phenomenology in a consistent framework. We advocate the existence of two distinct modes differing in their intrabinary shock orientation, distinguished by the phase-centering of the double-peaked X-ray orbital modulation originating from mildly-relativistic Doppler boosting. By constructing a geometric model for radio eclipses, we constrain the shock geometry as functions of binary inclination and shock stand-off R(sub 0). We develop synthetic X-ray synchrotron orbital light curves and explore the model parameter space allowed by radio eclipse constraints applied on archetypal systems B1957+20 and J1023+0038. For B1957+20, from radio eclipses the stand-off is R(sub 0) approximately 0:15 - 0:3 fraction of binary separation from the companion center, depending on the orbit inclination. Constructed X-ray light curves for B1957+20 using these values are qualitatively consistent with those observed, and we find occultation of the shock by the companion as a minor influence, demanding significant Doppler factors to yield double peaks. For J1023+0038, radio eclipses imply R(sub 0) is approximately less than 0:4 while X-ray light curves suggest 0:1 is approximately less than R(sub 0) is approximately less than 0:3 (from the pulsar). Degeneracies in the model parameter space encourage further development to include transport considerations. Generically, the spatial variation along the shock of the underlying electron power-law index should yield energy-dependence in the shape of light curves motivating future X-ray phase-resolved spectroscopic studies to probe the unknown physics of pulsar winds and relativistic shock acceleration therein.

Conditions where random phase approximation becomes exact in the high-density limit

NASA Astrophysics Data System (ADS)

Morawetz, Klaus; Ashokan, Vinod; Bala, Renu; Pathak, Kare Narain

2018-04-01

It is shown that, in d -dimensional systems, the vertex corrections beyond the random phase approximation (RPA) or G W approximation scales with the power d -β -α of the Fermi momentum if the relation between Fermi energy and Fermi momentum is ɛf˜pfβ and the interacting potential possesses a momentum power law of ˜p-α . The condition d -β -α <0 specifies systems where RPA is exact in the high-density limit. The one-dimensional structure factor is found to be the interaction-free one in the high-density limit for contact interaction. A cancellation of RPA and vertex corrections render this result valid up to second order in contact interaction. For finite-range potentials of cylindrical wires a large-scale cancellation appears and is found to be independent of the width parameter of the wire. The proposed high-density expansion agrees with the quantum Monte Carlo simulations.

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

PubMed

Heßelmann, Andreas

2015-04-14

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

Random-Phase Approximation Methods

NASA Astrophysics Data System (ADS)

Chen, Guo P.; Voora, Vamsee K.; Agee, Matthew M.; Balasubramani, Sree Ganesh; Furche, Filipp

2017-05-01

Random-phase approximation (RPA) methods are rapidly emerging as cost-effective validation tools for semilocal density functional computations. We present the theoretical background of RPA in an intuitive rather than formal fashion, focusing on the physical picture of screening and simple diagrammatic analysis. A new decomposition of the RPA correlation energy into plasmonic modes leads to an appealing visualization of electron correlation in terms of charge density fluctuations. Recent developments in the areas of beyond-RPA methods, RPA correlation potentials, and efficient algorithms for RPA energy and property calculations are reviewed. The ability of RPA to approximately capture static correlation in molecules is quantified by an analysis of RPA natural occupation numbers. We illustrate the use of RPA methods in applications to small-gap systems such as open-shell d- and f-element compounds, radicals, and weakly bound complexes, where semilocal density functional results exhibit strong functional dependence.

U-Pb isotopic systematics of zircons from prograde and retrograde transition zones in high-grade orthogneisses, Sri Lanka

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

Baur, N.; Liew, T.C.; Todt, W.

1991-07-01

The authors present U-Pb zircon isotopic data from locally restricted prograde (arrested in situ charnockitization) and retrograde metamorphic transition zones, which are well exposed in Proterozoic orthogneisses tectonically interbanded with granulite facies supracrustal rocks of the Highland Group in Sri Lanka. These granitoid rocks yield apparent ages of 1942 {plus minus} 22 Ma, {approximately} 770 Ma, {approximately} 660 Ma, and {approximately} 560 Ma. All samples show severe Pb-loss some 550-560 Ma ago. The main phase of granulite-formation could not be dated unambiguously but is bracketed between {approximately} 660 Ma and {approximately} 550 Ma. The pervasive Pb-loss event around 550-560 Mamore » reflects the end of this period of high-grade metamorphism and was associated with widespread igneous activity and retrogression. This is constrained by the 550 {plus minus} 3 Ma intrusion age for a post-tectonic granite. They relate this late phase of thermal activity to crustal uplift of the Sri Lankan granulites. This data unambiguously prove the high-grade history of the Sri Lanka gneisses to be a late Precambrian event that may be related to the Pan-African evolution along the eastern part of Africa.« less

Pressure-induced reversible amorphization and an amorphous–amorphous transition in Ge2Sb2Te5 phase-change memory material

PubMed Central

Sun, Zhimei; Zhou, Jian; Pan, Yuanchun; Song, Zhitang; Mao, Ho-Kwang; Ahuja, Rajeev

2011-01-01

Ge2Sb2Te5 (GST) is a technologically very important phase-change material that is used in digital versatile disks-random access memory and is currently studied for the use in phase-change random access memory devices. This type of data storage is achieved by the fast reversible phase transition between amorphous and crystalline GST upon heat pulse. Here we report pressure-induced reversible crystalline-amorphous and polymorphic amorphous transitions in NaCl structured GST by ab initio molecular dynamics calculations. We have showed that the onset amorphization of GST starts at approximately 18 GPa and the system become completely random at approximately 22 GPa. This amorphous state has a cubic framework (c-amorphous) of sixfold coordinations. With further increasing pressure, the c-amorphous transforms to a high-density amorphous structure with trigonal framework (t-amorphous) and an average coordination number of eight. The pressure-induced amorphization is investigated to be due to large displacements of Te atoms for which weak Te–Te bonds exist or vacancies are nearby. Upon decompressing to ambient conditions, the original cubic crystalline structure is restored for c-amorphous, whereas t-amorphous transforms to another amorphous phase that is similar to the melt-quenched amorphous GST. PMID:21670255

Pressure-induced reversible amorphization and an amorphous-amorphous transition in Ge₂Sb₂Te₅ phase-change memory material.

PubMed

Sun, Zhimei; Zhou, Jian; Pan, Yuanchun; Song, Zhitang; Mao, Ho-Kwang; Ahuja, Rajeev

2011-06-28

Ge(2)Sb(2)Te(5) (GST) is a technologically very important phase-change material that is used in digital versatile disks-random access memory and is currently studied for the use in phase-change random access memory devices. This type of data storage is achieved by the fast reversible phase transition between amorphous and crystalline GST upon heat pulse. Here we report pressure-induced reversible crystalline-amorphous and polymorphic amorphous transitions in NaCl structured GST by ab initio molecular dynamics calculations. We have showed that the onset amorphization of GST starts at approximately 18 GPa and the system become completely random at approximately 22 GPa. This amorphous state has a cubic framework (c-amorphous) of sixfold coordinations. With further increasing pressure, the c-amorphous transforms to a high-density amorphous structure with trigonal framework (t-amorphous) and an average coordination number of eight. The pressure-induced amorphization is investigated to be due to large displacements of Te atoms for which weak Te-Te bonds exist or vacancies are nearby. Upon decompressing to ambient conditions, the original cubic crystalline structure is restored for c-amorphous, whereas t-amorphous transforms to another amorphous phase that is similar to the melt-quenched amorphous GST.

Performance enhancement of fin attached ice-on-coil type thermal storage tank for different fin orientations using constrained and unconstrained simulations

NASA Astrophysics Data System (ADS)

Kim, M. H.; Duong, X. Q.; Chung, J. D.

2017-03-01

One of the drawbacks in latent thermal energy storage system is the slow charging and discharging time due to the low thermal conductivity of the phase change materials (PCM). This study numerically investigated the PCM melting process inside a finned tube to determine enhanced heat transfer performance. The influences of fin length and fin numbers were investigated. Also, two different fin orientations, a vertical and horizontal type, were examined, using two different simulation methods, constrained and unconstrained. The unconstrained simulation, which considers the density difference between the solid and liquid PCM showed approximately 40 % faster melting rate than that of constrained simulation. For a precise estimation of discharging performance, unconstrained simulation is essential. Thermal instability was found in the liquid layer below the solid PCM, which is contrary to the linear stability theory, due to the strong convection driven by heat flux from the coil wall. As the fin length increases, the area affected by the fin becomes larger, thus the discharging time becomes shorter. The discharging performance also increased as the fin number increased, but the enhancement of discharging performance by more than two fins was not discernible. The horizontal type shortened the complete melting time by approximately 10 % compared to the vertical type.

Low-lying dipole response in the stable {sup 40,48}Ca nuclei within the second random-phase approximation

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

Gambacurta, D.; Grasso, M.; Catara, F.

2012-10-20

The low-lying dipole strength distributions of {sup 40}CaCa and {sup 48}Ca, in the energy region between 5 and 10 MeV, are studied within the second random phase approximation (RPA) with Skyrme interaction. Standard RPA models do not usually predict any presence of strength in this energy region, while experimentally a significant amount of strength is found. The inclusion of the 2 particle -2 hole configurations allows to obtain a description in a rather good agreement with the experimental data. The properties of the most collective state are analyzed in terms of its 1 particle -1 hole nature and its transitionmore » densities.« less

Inhomogeneous fluid of penetrable-spheres: Application of the random phase approximation

NASA Astrophysics Data System (ADS)

Xiang, Yan; Frydel, Derek

2017-05-01

The focus of the present work is the application of the random phase approximation (RPA), derived for inhomogeneous fluids [Frydel and Ma, Phys. Rev. E 93, 062112 (2016)], to penetrable-spheres. As penetrable-spheres transform into hard-spheres with increasing interactions, they provide an interesting case for exploring the RPA, its shortcomings, and limitations, the weak- versus the strong-coupling limit. Two scenarios taken up by the present study are a one-component and a two-component fluid with symmetric interactions. In the latter case, the mean-field contributions cancel out and any contributions from particle interactions are accounted for by correlations. The accuracy of the RPA for this case is the result of a somewhat lucky cancellation of errors.

Derek Vigil-Fowler | NREL

Science.gov Websites

simulation methods for materials physics and chemistry, with particular expertise in post-DFT, high accuracy methods such as the GW approximation for electronic structure and random phase approximation (RPA) total the art in computational methods, including efficient methods for including the effects of substrates

Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality

PubMed Central

Patra, Abhirup; Bates, Jefferson E.; Sun, Jianwei; Perdew, John P.

2017-01-01

We have computed the surface energies, work functions, and interlayer surface relaxations of clean (111), (100), and (110) surfaces of Al, Cu, Ru, Rh, Pd, Ag, Pt, and Au. We interpret the surface energy from liquid metal measurements as the mean of the solid-state surface energies over these three lowest-index crystal faces. We compare experimental (and random phase approximation) reference values to those of a family of nonempirical semilocal density functionals, from the basic local density approximation (LDA) to our most advanced general purpose meta-generalized gradient approximation, strongly constrained and appropriately normed (SCAN). The closest agreement is achieved by the simplest density functional LDA, and by the most sophisticated one, SCAN+rVV10 (Vydrov–Van Voorhis 2010). The long-range van der Waals interaction, incorporated through rVV10, increases the surface energies by about 10%, and increases the work functions by about 3%. LDA works for metal surfaces through two known error cancellations. The Perdew–Burke–Ernzerhof generalized gradient approximation tends to underestimate both surface energies (by about 24%) and work functions (by about 4%), yielding the least-accurate results. The amount by which a functional underestimates these surface properties correlates with the extent to which it neglects van der Waals attraction at intermediate and long range. Qualitative arguments are given for the signs of the van der Waals contributions to the surface energy and work function. A standard expression for the work function in Kohn–Sham (KS) theory is shown to be valid in generalized KS theory. Interlayer relaxations from different functionals are in reasonable agreement with one another, and usually with experiment. PMID:29042509

The robustness in dynamics of out of equilibrium bidirectional transport systems with constrained entrances

NASA Astrophysics Data System (ADS)

Sharma, Natasha; Verma, Atul Kumar; Gupta, Arvind Kumar

2018-05-01

Macroscopic and microscopic long-distance bidirectional transfer depends on connections between entrances and exits of various transport mediums. Persuaded by the associations, we introduce a small system module of Totally Asymmetric Simple Exclusion Process including oppositely directed species of particles moving on two parallel channels with constrained entrances. The dynamical rules which characterize the system obey symmetry between the two species and are identical for both the channels. The model displays a rich steady-state behavior, including symmetry breaking phenomenon. The phase diagram is analyzed theoretically within the mean-field approximation and substantiated with Monte Carlo simulations. Relevant mean-field calculations are also presented. We further compared the phase segregation with those observed in previous works, and it is examined that the structure of phase separation in proposed model is distinguished from earlier ones. Interestingly, for phases with broken symmetry, symmetry with respect to channels has been observed as the distinct particles behave differently while the similar type of particles exhibits the same conduct in the system. For symmetric phases, significant properties including currents and densities in the channels are identical for both types of particles. The effect of symmetry breaking occurrence on the Monte Carlo simulation results has also been examined based on particle density histograms. Finally, phase properties of the system having strong size dependency have been explored based on simulations findings.

Separated two-phase flow and basaltic eruptions

NASA Astrophysics Data System (ADS)

Vergniolle, Sylvie; Jaupart, Claude

1986-11-01

Fluid dynamical models of volcanic eruptions are usually made in the homogeneous approximation where gas and liquid are constrained to move at the same velocity. Basaltic eruptions exhibit the characteristics of separated flows, including transitions in their flow regime, from bubbly to slug flow in Strombolian eruptions and from bubbly to annular flow in Hawaiian ones. These regimes can be characterized by a parameter called the melt superficial velocity, or volume flux per unit cross section, which takes values between 10-3 and 10-2 m/s for bubbly and slug flow, and about 1 m/s for annular flow. We use two-phase flow equations to determine under which conditions the homogeneous approximation is not valid. In the bubbly regime, in which many bubbles rise through the moving liquid, there are large differences between the two-phase and homogeneous models, especially in the predictions of gas content and pressure. The homogeneous model is valid for viscous lavas such as dacites because viscosity impedes bubble motion. It is not valid for basaltic lavas if bubble sizes are greater than 1 cm, which is the case. Accordingly, basaltic eruptions should be characterized by lower gas contents and lower values of the exit pressure, and they rarely erupt in the mist and froth regimes, which are a feature of more viscous lavas. The two-phase flow framework allows for the treatment of different bubble populations, including vesicles due to exsolution by pressure release in the volcanic conduit and bubbles from the magma chamber. This yields information on poorly constrained parameters including the effective friction coefficient for the conduit, gas content, and bubble size in the chamber. We suggest that the observed flow transitions record changes in the amount and size of gas bubbles in the magma chamber at the conduit entry.

Constrained low-rank matrix estimation: phase transitions, approximate message passing and applications

NASA Astrophysics Data System (ADS)

Lesieur, Thibault; Krzakala, Florent; Zdeborová, Lenka

2017-07-01

This article is an extended version of previous work of Lesieur et al (2015 IEEE Int. Symp. on Information Theory Proc. pp 1635-9 and 2015 53rd Annual Allerton Conf. on Communication, Control and Computing (IEEE) pp 680-7) on low-rank matrix estimation in the presence of constraints on the factors into which the matrix is factorized. Low-rank matrix factorization is one of the basic methods used in data analysis for unsupervised learning of relevant features and other types of dimensionality reduction. We present a framework to study the constrained low-rank matrix estimation for a general prior on the factors, and a general output channel through which the matrix is observed. We draw a parallel with the study of vector-spin glass models—presenting a unifying way to study a number of problems considered previously in separate statistical physics works. We present a number of applications for the problem in data analysis. We derive in detail a general form of the low-rank approximate message passing (Low-RAMP) algorithm, that is known in statistical physics as the TAP equations. We thus unify the derivation of the TAP equations for models as different as the Sherrington-Kirkpatrick model, the restricted Boltzmann machine, the Hopfield model or vector (xy, Heisenberg and other) spin glasses. The state evolution of the Low-RAMP algorithm is also derived, and is equivalent to the replica symmetric solution for the large class of vector-spin glass models. In the section devoted to result we study in detail phase diagrams and phase transitions for the Bayes-optimal inference in low-rank matrix estimation. We present a typology of phase transitions and their relation to performance of algorithms such as the Low-RAMP or commonly used spectral methods.

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

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

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

1996-06-01

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

Phase and microstructural development in alumina sol-gel coatings on CoCr alloy.

PubMed

Bae, I J; Standard, O C; Roger, G J; Brazil, D

2004-09-01

Phase transformation of gamma-Al(2)O(3) to alpha-Al(2)O(3) in alumina sol gel coatings on biomedical CoCr alloy was studied as function of heat treatment temperature and time. Transformation in unseeded coatings was significant only above approximately 1200 degrees C. Addition of alpha-Al(2)O(3) seed particles having an average size of approximately 40 nm lowered the phase transformation temperature to around 800 degrees C. These particles were considered to act as heterogeneous nucleation sites for epitaxial growth of the alpha-Al(2)O(3) phase. The kinetics and activation energy (420 kJ/mol) for the phase transformation in the seeded coatings were similar to those reported for seeded monolithic alumina gels indicating that the transformation mechanism is the same in the two material configurations. Avrami growth parameters indicated that the mechanism was diffusion controlled and invariant over the temperature range studied but that growth was possibly constrained by the finite size of the seed particles and/or coating thickness. The phase transformation occurred by the growth of alpha-Al(2)O(3) grains at the expense of the precursor fine-grained gamma-Al(2)O(3) matrix and near-complete transformation coincided with physical impingement of the growing grains. The grain size at impingement was approximately 100 nm which agreed well with that predicted from the theoretical linear spacing of seed particles in the initial sol.

Electric dipole strength and dipole polarizability in 48Ca within a fully self-consistent second random-phase approximation

NASA Astrophysics Data System (ADS)

Gambacurta, D.; Grasso, M.; Vasseur, O.

2018-02-01

The second random-phase-approximation model corrected by a subtraction procedure designed to cure double counting, instabilities, and ultraviolet divergences, is employed for the first time to analyze the dipole strength and polarizability in 48Ca. All the terms of the residual interaction are included, leading to a fully self-consistent scheme. Results are illustrated with two Skyrme parametrizations, SGII and SLy4. Those obtained with the SGII interaction are particularly satisfactory. In this case, the low-lying strength below the neutron threshold is well reproduced and the giant dipole resonance is described in a very satisfactory way especially in its spreading and fragmentation. Spreading and fragmentation are produced in a natural way within such a theoretical model by the coupling of 1 particle-1 hole and 2 particle-2 hole configurations. Owing to this feature, we may provide for the electric polarizability as a function of the excitation energy a curve with a similar slope around the centroid energy of the giant resonance compared to the corresponding experimental results. This represents a considerable improvement with respect to previous theoretical predictions obtained with the random-phase approximation or with several ab-initio models. In such cases, the spreading width of the excitation cannot be reproduced and the polarizability as a function of the excitation energy displays a stiff increase around the predicted centroid energy of the giant resonance.

Topological analysis of the CfA redshift survey

NASA Technical Reports Server (NTRS)

Vogeley, Michael S.; Park, Changbom; Geller, Margaret J.; Huchra, John P.; Gott, J. Richard, III

1994-01-01

We study the topology of large-scale structure in the Center for Astrophysics Redshift Survey, which now includes approximately 12,000 galaxies with limiting magnitude m(sub B) is less than or equal to 15.5. The dense sampling and large volume of this survey allow us to compute the topology on smoothing scales from 6 to 20/h Mpc; we thus examine the topology of structure in both 'nonlinear' and 'linear' regimes. On smoothing scales less than or equal to 10/h Mpc this sample has 3 times the number of resolution elements of samples examined in previous studies. Isodensity surface of the smoothed galaxy density field demonstrate that coherent high-density structures and large voids dominate the galaxy distribution. We compute the genus-threshold density relation for isodensity surfaces of the CfA survey. To quantify phase correlation in these data, we compare the CfA genus with the genus of realizations of Gaussian random fields with the power spectrum measured for the CfA survey. On scales less than or equal to 10/h Mpc the observed genus amplitude is smaller than random phase (96% confidence level). This decrement reflects the degree of phase coherence in the observed galaxy distribution. In other words the genus amplitude on these scales is not good measure of the power spectrum slope. On scales greater than 10/h Mpc, where the galaxy distribution is rougly in the 'linear' regime, the genus ampitude is consistent with the random phase amplitude. The shape of the genus curve reflects the strong coherence in the observed structure; the observed genus curve appears broader than random phase (94% confidence level for smoothing scales less than or equal to 10/h Mpc) because the topolgoy is spongelike over a very large range of density threshold. This departre from random phase consistent with a distribution like a filamentary net of 'walls with holes.' On smoothing scales approaching approximately 20/h Mpc the shape of the CfA genus curve is consistent with random phase. There is very weak evidence for a shift of the genus toward a 'bubble-like' topology. To test cosmological models, we compute the genus for mock CfA surveys drawn from large (L greater than or approximately 400/h Mpc) N-body simulations of three variants of the cold dark matter (CDM) cosmogony. The genus amplitude of the 'standard' CDM model (omega h = 0.5, b = 1.5) differs from the observations (96% confidence level) on smoothing scales is less than or approximately 10/h Mpc. An open CDM model (omega h = 0.2) and a CDM model with nonzero cosmological constant (omega h = 0.24, lambda (sub 0) = 0.6) are consistent with the observed genus amplitude over the full range of smoothing scales. All of these models fail (97% confidence level) to match the broadness of the observed genus curve on smoothing scales is less than or equal to 10/h Mpc.

Gamma Prime Precipitate Evolution During Aging of a Model Nickel-Based Superalloy

NASA Astrophysics Data System (ADS)

Goodfellow, A. J.; Galindo-Nava, E. I.; Christofidou, K. A.; Jones, N. G.; Martin, T.; Bagot, P. A. J.; Boyer, C. D.; Hardy, M. C.; Stone, H. J.

2018-03-01

The microstructural stability of nickel-based superalloys is critical for maintaining alloy performance during service in gas turbine engines. In this study, the precipitate evolution in a model polycrystalline Ni-based superalloy during aging to 1000 hours has been studied via transmission electron microscopy, atom probe tomography, and neutron diffraction. Variations in phase composition and precipitate morphology, size, and volume fraction were observed during aging, while the constrained lattice misfit remained constant at approximately zero. The experimental composition of the γ matrix phase was consistent with thermodynamic equilibrium predictions, while significant differences were identified between the experimental and predicted results from the γ' phase. These results have implications for the evolution of mechanical properties in service and their prediction using modeling methods.

Large-Scale Cubic-Scaling Random Phase Approximation Correlation Energy Calculations Using a Gaussian Basis.

PubMed

Wilhelm, Jan; Seewald, Patrick; Del Ben, Mauro; Hutter, Jürg

2016-12-13

We present an algorithm for computing the correlation energy in the random phase approximation (RPA) in a Gaussian basis requiring [Formula: see text] operations and [Formula: see text] memory. The method is based on the resolution of the identity (RI) with the overlap metric, a reformulation of RI-RPA in the Gaussian basis, imaginary time, and imaginary frequency integration techniques, and the use of sparse linear algebra. Additional memory reduction without extra computations can be achieved by an iterative scheme that overcomes the memory bottleneck of canonical RPA implementations. We report a massively parallel implementation that is the key for the application to large systems. Finally, cubic-scaling RPA is applied to a thousand water molecules using a correlation-consistent triple-ζ quality basis.

Closed-form solution for the Wigner phase-space distribution function for diffuse reflection and small-angle scattering in a random medium.

PubMed

Yura, H T; Thrane, L; Andersen, P E

2000-12-01

Within the paraxial approximation, a closed-form solution for the Wigner phase-space distribution function is derived for diffuse reflection and small-angle scattering in a random medium. This solution is based on the extended Huygens-Fresnel principle for the optical field, which is widely used in studies of wave propagation through random media. The results are general in that they apply to both an arbitrary small-angle volume scattering function, and arbitrary (real) ABCD optical systems. Furthermore, they are valid in both the single- and multiple-scattering regimes. Some general features of the Wigner phase-space distribution function are discussed, and analytic results are obtained for various types of scattering functions in the asymptotic limit s > 1, where s is the optical depth. In particular, explicit results are presented for optical coherence tomography (OCT) systems. On this basis, a novel way of creating OCT images based on measurements of the momentum width of the Wigner phase-space distribution is suggested, and the advantage over conventional OCT images is discussed. Because all previous published studies regarding the Wigner function are carried out in the transmission geometry, it is important to note that the extended Huygens-Fresnel principle and the ABCD matrix formalism may be used successfully to describe this geometry (within the paraxial approximation). Therefore for completeness we present in an appendix the general closed-form solution for the Wigner phase-space distribution function in ABCD paraxial optical systems for direct propagation through random media, and in a second appendix absorption effects are included.

Communication: phase transitions, criticality, and three-phase coexistence in constrained cell models.

PubMed

Nayhouse, Michael; Kwon, Joseph Sang-Il; Orkoulas, G

2012-05-28

In simulation studies of fluid-solid transitions, the solid phase is usually modeled as a constrained system in which each particle is confined to move in a single Wigner-Seitz cell. The constrained cell model has been used in the determination of fluid-solid coexistence via thermodynamic integration and other techniques. In the present work, the phase diagram of such a constrained system of Lennard-Jones particles is determined from constant-pressure simulations. The pressure-density isotherms exhibit inflection points which are interpreted as the mechanical stability limit of the solid phase. The phase diagram of the constrained system contains a critical and a triple point. The temperature and pressure at the critical and the triple point are both higher than those of the unconstrained system due to the reduction in the entropy caused by the single occupancy constraint.

Approximate error conjugation gradient minimization methods

DOEpatents

Kallman, Jeffrey S

2013-05-21

In one embodiment, a method includes selecting a subset of rays from a set of all rays to use in an error calculation for a constrained conjugate gradient minimization problem, calculating an approximate error using the subset of rays, and calculating a minimum in a conjugate gradient direction based on the approximate error. In another embodiment, a system includes a processor for executing logic, logic for selecting a subset of rays from a set of all rays to use in an error calculation for a constrained conjugate gradient minimization problem, logic for calculating an approximate error using the subset of rays, and logic for calculating a minimum in a conjugate gradient direction based on the approximate error. In other embodiments, computer program products, methods, and systems are described capable of using approximate error in constrained conjugate gradient minimization problems.

Approximate Genealogies Under Genetic Hitchhiking

PubMed Central

Pfaffelhuber, P.; Haubold, B.; Wakolbinger, A.

2006-01-01

The rapid fixation of an advantageous allele leads to a reduction in linked neutral variation around the target of selection. The genealogy at a neutral locus in such a selective sweep can be simulated by first generating a random path of the advantageous allele's frequency and then a structured coalescent in this background. Usually the frequency path is approximated by a logistic growth curve. We discuss an alternative method that approximates the genealogy by a random binary splitting tree, a so-called Yule tree that does not require first constructing a frequency path. Compared to the coalescent in a logistic background, this method gives a slightly better approximation for identity by descent during the selective phase and a much better approximation for the number of lineages that stem from the founder of the selective sweep. In applications such as the approximation of the distribution of Tajima's D, the two approximation methods perform equally well. For relevant parameter ranges, the Yule approximation is faster. PMID:17182733

Approximating SIR-B response characteristics and estimating wave height and wavelength for ocean imagery

NASA Technical Reports Server (NTRS)

Tilley, David G.

1987-01-01

NASA Space Shuttle Challenger SIR-B ocean scenes are used to derive directional wave spectra for which speckle noise is modeled as a function of Rayleigh random phase coherence downrange and Poisson random amplitude errors inherent in the Doppler measurement of along-track position. A Fourier filter that preserves SIR-B image phase relations is used to correct the stationary and dynamic response characteristics of the remote sensor and scene correlator, as well as to subtract an estimate of the speckle noise component. A two-dimensional map of sea surface elevation is obtained after the filtered image is corrected for both random and deterministic motions.

Statistical mechanics model for the emergence of consensus

NASA Astrophysics Data System (ADS)

Raffaelli, Giacomo; Marsili, Matteo

2005-07-01

The statistical properties of pairwise majority voting over S alternatives are analyzed in an infinite random population. We first compute the probability that the majority is transitive (i.e., that if it prefers A to B to C , then it prefers A to C ) and then study the case of an interacting population. This is described by a constrained multicomponent random field Ising model whose ferromagnetic phase describes the emergence of a strong transitive majority. We derive the phase diagram, which is characterized by a tricritical point and show that, contrary to intuition, it may be more likely for an interacting population to reach consensus on a number S of alternatives when S increases. This effect is due to the constraint imposed by transitivity on voting behavior. Indeed if agents are allowed to express nontransitive votes, the agents’ interaction may decrease considerably the probability of a transitive majority.

Optical equivalence of isotropic ensembles of ellipsoidal particles in the Rayleigh-Gans-Debye and anomalous diffraction approximations and its consequences

NASA Astrophysics Data System (ADS)

Paramonov, L. E.

2012-05-01

Light scattering by isotropic ensembles of ellipsoidal particles is considered in the Rayleigh-Gans-Debye approximation. It is proved that randomly oriented ellipsoidal particles are optically equivalent to polydisperse randomly oriented spheroidal particles and polydisperse spherical particles. Density functions of the shape and size distributions for equivalent ensembles of spheroidal and spherical particles are presented. In the anomalous diffraction approximation, equivalent ensembles of particles are shown to also have equal extinction, scattering, and absorption coefficients. Consequences of optical equivalence are considered. The results are illustrated by numerical calculations of the angular dependence of the scattering phase function using the T-matrix method and the Mie theory.

Harvesting Entropy for Random Number Generation for Internet of Things Constrained Devices Using On-Board Sensors

PubMed Central

Pawlowski, Marcin Piotr; Jara, Antonio; Ogorzalek, Maciej

2015-01-01

Entropy in computer security is associated with the unpredictability of a source of randomness. The random source with high entropy tends to achieve a uniform distribution of random values. Random number generators are one of the most important building blocks of cryptosystems. In constrained devices of the Internet of Things ecosystem, high entropy random number generators are hard to achieve due to hardware limitations. For the purpose of the random number generation in constrained devices, this work proposes a solution based on the least-significant bits concatenation entropy harvesting method. As a potential source of entropy, on-board integrated sensors (i.e., temperature, humidity and two different light sensors) have been analyzed. Additionally, the costs (i.e., time and memory consumption) of the presented approach have been measured. The results obtained from the proposed method with statistical fine tuning achieved a Shannon entropy of around 7.9 bits per byte of data for temperature and humidity sensors. The results showed that sensor-based random number generators are a valuable source of entropy with very small RAM and Flash memory requirements for constrained devices of the Internet of Things. PMID:26506357

Harvesting entropy for random number generation for internet of things constrained devices using on-board sensors.

PubMed

Pawlowski, Marcin Piotr; Jara, Antonio; Ogorzalek, Maciej

2015-10-22

Entropy in computer security is associated with the unpredictability of a source of randomness. The random source with high entropy tends to achieve a uniform distribution of random values. Random number generators are one of the most important building blocks of cryptosystems. In constrained devices of the Internet of Things ecosystem, high entropy random number generators are hard to achieve due to hardware limitations. For the purpose of the random number generation in constrained devices, this work proposes a solution based on the least-significant bits concatenation entropy harvesting method. As a potential source of entropy, on-board integrated sensors (i.e., temperature, humidity and two different light sensors) have been analyzed. Additionally, the costs (i.e., time and memory consumption) of the presented approach have been measured. The results obtained from the proposed method with statistical fine tuning achieved a Shannon entropy of around 7.9 bits per byte of data for temperature and humidity sensors. The results showed that sensor-based random number generators are a valuable source of entropy with very small RAM and Flash memory requirements for constrained devices of the Internet of Things.

Spectral weight of excitations in Bose Hubbard model

NASA Astrophysics Data System (ADS)

Alavani, Bhargav K.; Pai, Ramesh V.

2017-05-01

We obtain excitation spectra in the superfluid and the Mott Insulator phases of Bose Hubbard model near unit filling within Random Phase Approximation (RPA) and calculate its spectral weight. This gives a transparent description of contribution of each excitation towards the total Density of States (DOS) which we calculate from these spectral weights.

Atlas of the Light Curves and Phase Plane Portraits of Selected Long-Period Variables

NASA Astrophysics Data System (ADS)

Kudashkina, L. S.; Andronov, I. L.

2017-12-01

For a group of the Mira-type stars, semi-regular variables and some RV Tau - type stars the limit cycles were computed and plotted using the phase plane diagrams. As generalized coordinates x and x', we have used φ - the brightness of the star and its phase derivative. We have used mean phase light curves using observations of various authors from the databases of AAVSO, AFOEV, VSOLJ, ASAS and approximated using a trigonometric polynomial of statistically optimal degree. For a simple sine-like light curve, the limit cycle is a simple ellipse. In a case of more complicated light curve, in which harmonics are statistically significant, the limit cycle has deviations from the ellipse. In an addition to a classical analysis, we use the error estimates of the smoothing function and its derivative to constrain an "error corridor" in the phase plane.

Constrained Perturbation Regularization Approach for Signal Estimation Using Random Matrix Theory

NASA Astrophysics Data System (ADS)

Suliman, Mohamed; Ballal, Tarig; Kammoun, Abla; Al-Naffouri, Tareq Y.

2016-12-01

In this supplementary appendix we provide proofs and additional extensive simulations that complement the analysis of the main paper (constrained perturbation regularization approach for signal estimation using random matrix theory).

Vanishing-Overhead Linear-Scaling Random Phase Approximation by Cholesky Decomposition and an Attenuated Coulomb-Metric.

PubMed

Luenser, Arne; Schurkus, Henry F; Ochsenfeld, Christian

2017-04-11

A reformulation of the random phase approximation within the resolution-of-the-identity (RI) scheme is presented, that is competitive to canonical molecular orbital RI-RPA already for small- to medium-sized molecules. For electronically sparse systems drastic speedups due to the reduced scaling behavior compared to the molecular orbital formulation are demonstrated. Our reformulation is based on two ideas, which are independently useful: First, a Cholesky decomposition of density matrices that reduces the scaling with basis set size for a fixed-size molecule by one order, leading to massive performance improvements. Second, replacement of the overlap RI metric used in the original AO-RPA by an attenuated Coulomb metric. Accuracy is significantly improved compared to the overlap metric, while locality and sparsity of the integrals are retained, as is the effective linear scaling behavior.

Modelling Equilibrium and Fractional Crystallization in the System MgO-FeO-CaO-Al2O3-SiO2

NASA Technical Reports Server (NTRS)

Herbert, F.

1985-01-01

A mathematical modelling technique for use in petrogenesis calculations in the system MgO-FeO-CaO-Al2O3-SiO2 is reported. Semiempirical phase boundary and elemental distribution information was combined with mass balance to compute approximate equilibrium crystallization paths for arbitrary system compositions. The calculation is applicable to a range of system compositions and fractionation calculations are possible. The goal of the calculation is the computation of the composition and quantity of each phase present as a function of the degree of solidification. The degree of solidification is parameterized by the heat released by the solidifying phases. The mathematical requirement for the solution of this problem is: (1) An equation constraining the composition of the magma for each solid phase in equilibrium with the liquidus phase, and (2) an equation for each solid phase and each component giving the distribution of that element between that phase and the magma.

Gravitational-Wave and Neutrino Signals from Core-Collapse Supernovae with QCD Phase Transition

NASA Astrophysics Data System (ADS)

Zha, Shuai; Leung, Shing Chi; Lin, Lap Ming; Chu, Ming-Chung

Core-collapse supernovae (CCSNe) mark the catastrophic death of massive stars. We simulate CCSNe with a hybrid equations of state (EOS) containing a QCD (quantum chromodynamics) phase transition. The hybrid EOS incorporates the pure hadronic HShen EOS and the MIT Bag Model, with a Gibbs construction. Our two-dimensional hydrodynamics code includes a fifth-order shock capturing scheme WENO and models neutrino transport with the isotropic diffusion source approximation (IDSA). As the proto-neutron-star accretes matter and the core enters the mixed phase, a second collapse takes place due to softening of the EOS. We calculate the gravitational-wave (GW) and neutrino signals for this kind of CCSNe model. Future detection of these signals from CCSNe may help to constrain this scenario and the hybrid EOS.

Turbulent transport with intermittency: Expectation of a scalar concentration.

PubMed

Rast, Mark Peter; Pinton, Jean-François; Mininni, Pablo D

2016-04-01

Scalar transport by turbulent flows is best described in terms of Lagrangian parcel motions. Here we measure the Eulerian distance travel along Lagrangian trajectories in a simple point vortex flow to determine the probabilistic impulse response function for scalar transport in the absence of molecular diffusion. As expected, the mean squared Eulerian displacement scales ballistically at very short times and diffusively for very long times, with the displacement distribution at any given time approximating that of a random walk. However, significant deviations in the displacement distributions from Rayleigh are found. The probability of long distance transport is reduced over inertial range time scales due to spatial and temporal intermittency. This can be modeled as a series of trapping events with durations uniformly distributed below the Eulerian integral time scale. The probability of long distance transport is, on the other hand, enhanced beyond that of the random walk for both times shorter than the Lagrangian integral time and times longer than the Eulerian integral time. The very short-time enhancement reflects the underlying Lagrangian velocity distribution, while that at very long times results from the spatial and temporal variation of the flow at the largest scales. The probabilistic impulse response function, and with it the expectation value of the scalar concentration at any point in space and time, can be modeled using only the evolution of the lowest spatial wave number modes (the mean and the lowest harmonic) and an eddy based constrained random walk that captures the essential velocity phase relations associated with advection by vortex motions. Preliminary examination of Lagrangian tracers in three-dimensional homogeneous isotropic turbulence suggests that transport in that setting can be similarly modeled.

Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations.

PubMed

Ren, Xinguo; Tkatchenko, Alexandre; Rinke, Patrick; Scheffler, Matthias

2011-04-15

The random-phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange (EX) energy, represents the state-of-the-art exchange-correlation functional within density-functional theory. However, the standard RPA practice--evaluating both the EX and the RPA correlation energies using Kohn-Sham (KS) orbitals from local or semilocal exchange-correlation functionals--leads to a systematic underbinding of molecules and solids. Here we demonstrate that this behavior can be corrected by adding a "single excitation" contribution, so far not included in the standard RPA scheme. A similar improvement can also be achieved by replacing the non-self-consistent EX total energy by the corresponding self-consistent Hartree-Fock total energy, while retaining the RPA correlation energy evaluated using KS orbitals. Both schemes achieve chemical accuracy for a standard benchmark set of noncovalent intermolecular interactions.

A cubic scaling algorithm for excited states calculations in particle-particle random phase approximation

NASA Astrophysics Data System (ADS)

Lu, Jianfeng; Yang, Haizhao

2017-07-01

The particle-particle random phase approximation (pp-RPA) has been shown to be capable of describing double, Rydberg, and charge transfer excitations, for which the conventional time-dependent density functional theory (TDDFT) might not be suitable. It is thus desirable to reduce the computational cost of pp-RPA so that it can be efficiently applied to larger molecules and even solids. This paper introduces an O (N3) algorithm, where N is the number of orbitals, based on an interpolative separable density fitting technique and the Jacobi-Davidson eigensolver to calculate a few low-lying excitations in the pp-RPA framework. The size of the pp-RPA matrix can also be reduced by keeping only a small portion of orbitals with orbital energy close to the Fermi energy. This reduced system leads to a smaller prefactor of the cubic scaling algorithm, while keeping the accuracy for the low-lying excitation energies.

Low-lying dipole modes in 26,28Ne in the quasiparticle relativistic random phase approximation

NASA Astrophysics Data System (ADS)

Cao, Li-Gang; Ma, Zhong-Yu

2005-03-01

The low-lying isovector dipole strengths in the neutron-rich nuclei 26Ne and 28Ne are investigated in the quasiparticle relativistic random phase approximation. Nuclear ground-state properties are calculated in an extended relativistic mean field theory plus Bardeen-Cooper-Schrieffer (BCS) method where the contribution of the resonant continuum to pairing correlations is properly treated. Numerical calculations are tested in the case of isovector dipole and isoscalar quadrupole modes in the neutron-rich nucleus 22O. It is found that in the present calculation, low-lying isovector dipole strengths at Ex<10MeV in nuclei 26Ne and 26Ne exhaust about 4.9% and 5.8% of the Thomas-Reiche-Kuhn dipole sum rule, respectively. The centroid energy of the low-lying dipole excitation is located at 8.3 MeV in 26Ne and 7.9 MeV in 28Ne.

A simple but fully nonlocal correction to the random phase approximation

NASA Astrophysics Data System (ADS)

Ruzsinszky, Adrienn; Perdew, John P.; Csonka, Gábor I.

2011-03-01

The random phase approximation (RPA) stands on the top rung of the ladder of ground-state density functional approximations. The simple or direct RPA has been found to predict accurately many isoelectronic energy differences. A nonempirical local or semilocal correction to this direct RPA leaves isoelectronic energy differences almost unchanged, while improving total energies, ionization energies, etc., but fails to correct the RPA underestimation of molecular atomization energies. Direct RPA and its semilocal correction may miss part of the middle-range multicenter nonlocality of the correlation energy in a molecule. Here we propose a fully nonlocal, hybrid-functional-like addition to the semilocal correction. The added full nonlocality is important in molecules, but not in atoms. Under uniform-density scaling, this fully nonlocal correction scales like the second-order-exchange contribution to the correlation energy, an important part of the correction to direct RPA, and like the semilocal correction itself. For the atomization energies of ten molecules, and with the help of one fit parameter, it performs much better than the elaborate second-order screened exchange correction.

γ-decay of {}_{8}^{16}{{\\rm{O}}}_{8}\\,{and}\\,{}_{7}^{16}{{\\rm{N}}}_{9} in proton-neutron Tamm-Dancoff and random phase approximations with optimized surface δ interaction

NASA Astrophysics Data System (ADS)

Pahlavani, M. R.; Firoozi, B.

2016-09-01

γ-ray transitions from excited states of {}16{{N}} and {}16{{O}} isomers that appear in the γ spectrum of the {}616{{{C}}}10\\to {}716{{{N}}}9\\to {}816{{{O}}}8 beta decay chain are investigated. The theoretical approach used in this research starts with a mean-field potential consisting of a phenomenological Woods-Saxon potential including spin-orbit and Coulomb terms (for protons) in order to obtain single-particle energies and wave functions for nucleons in a nucleus. A schematic residual surface delta interaction is then employed on the top of the mean field and is treated within the proton-neutron Tamm-Dancoff approximation (pnTDA) and the proton-neutron random phase approximation. The goal is to use an optimized surface delta interaction interaction, as a residual interaction, to improve the results. We have used artificial intelligence algorithms to establish a good agreement between theoretical and experimental energy spectra. The final results of the ‘optimized’ calculations are reasonable via this approach.

Rocksalt or cesium chloride: Investigating the relative stability of the cesium halide structures with random phase approximation based methods

NASA Astrophysics Data System (ADS)

Nepal, Niraj K.; Ruzsinszky, Adrienn; Bates, Jefferson E.

2018-03-01

The ground state structural and energetic properties for rocksalt and cesium chloride phases of the cesium halides were explored using the random phase approximation (RPA) and beyond-RPA methods to benchmark the nonempirical SCAN meta-GGA and its empirical dispersion corrections. The importance of nonadditivity and higher-order multipole moments of dispersion in these systems is discussed. RPA generally predicts the equilibrium volume for these halides within 2.4% of the experimental value, while beyond-RPA methods utilizing the renormalized adiabatic LDA (rALDA) exchange-correlation kernel are typically within 1.8%. The zero-point vibrational energy is small and shows that the stability of these halides is purely due to electronic correlation effects. The rAPBE kernel as a correction to RPA overestimates the equilibrium volume and could not predict the correct phase ordering in the case of cesium chloride, while the rALDA kernel consistently predicted results in agreement with the experiment for all of the halides. However, due to its reasonable accuracy with lower computational cost, SCAN+rVV10 proved to be a good alternative to the RPA-like methods for describing the properties of these ionic solids.

Insight into glacier climate interaction: reconstruction of the mass balance field using ice extent data

NASA Astrophysics Data System (ADS)

Visnjevic, Vjeran; Herman, Frédéric; Licul, Aleksandar

2016-04-01

With the end of the Last Glacial Maximum (LGM), about 20 000 years ago, ended the most recent long-lasting cold phase in Earth's history. We recently developed a model that describes large-scale erosion and its response to climate and dynamical changes with the application to the Alps for the LGM period. Here we will present an inverse approach we have recently developed to infer the LGM mass balance from known ice extent data, focusing on a glacier or ice cap. The ice flow model is developed using the shallow ice approximation and the developed codes are accelerated using GPUs capabilities. The mass balance field is the constrained variable defined by the balance rate β and the equilibrium line altitude (ELA), where c is the cutoff value: b = max(βṡ(S(z) - ELA), c) We show that such a mass balance can be constrained from the observed past ice extent and ice thickness. We are also investigating several different geostatistical methods to constrain spatially variable mass balance, and derive uncertainties on each of the mass balance parameters.

On size-constrained minimum s–t cut problems and size-constrained dense subgraph problems

DOE PAGES

Chen, Wenbin; Samatova, Nagiza F.; Stallmann, Matthias F.; ...

2015-10-30

In some application cases, the solutions of combinatorial optimization problems on graphs should satisfy an additional vertex size constraint. In this paper, we consider size-constrained minimum s–t cut problems and size-constrained dense subgraph problems. We introduce the minimum s–t cut with at-least-k vertices problem, the minimum s–t cut with at-most-k vertices problem, and the minimum s–t cut with exactly k vertices problem. We prove that they are NP-complete. Thus, they are not polynomially solvable unless P = NP. On the other hand, we also study the densest at-least-k-subgraph problem (DalkS) and the densest at-most-k-subgraph problem (DamkS) introduced by Andersen andmore » Chellapilla [1]. We present a polynomial time algorithm for DalkS when k is bounded by some constant c. We also present two approximation algorithms for DamkS. In conclusion, the first approximation algorithm for DamkS has an approximation ratio of n-1/k-1, where n is the number of vertices in the input graph. The second approximation algorithm for DamkS has an approximation ratio of O (n δ), for some δ < 1/3.« less

Deorbitalization strategies for meta-generalized-gradient-approximation exchange-correlation functionals

NASA Astrophysics Data System (ADS)

Mejia-Rodriguez, Daniel; Trickey, S. B.

2017-11-01

We explore the simplification of widely used meta-generalized-gradient approximation (mGGA) exchange-correlation functionals to the Laplacian level of refinement by use of approximate kinetic-energy density functionals (KEDFs). Such deorbitalization is motivated by the prospect of reducing computational cost while recovering a strictly Kohn-Sham local potential framework (rather than the usual generalized Kohn-Sham treatment of mGGAs). A KEDF that has been rather successful in solid simulations proves to be inadequate for deorbitalization, but we produce other forms which, with parametrization to Kohn-Sham results (not experimental data) on a small training set, yield rather good results on standard molecular test sets when used to deorbitalize the meta-GGA made very simple, Tao-Perdew-Staroverov-Scuseria, and strongly constrained and appropriately normed functionals. We also study the difference between high-fidelity and best-performing deorbitalizations and discuss possible implications for use in ab initio molecular dynamics simulations of complicated condensed phase systems.

Chaotic oscillations and noise transformations in a simple dissipative system with delayed feedback

NASA Astrophysics Data System (ADS)

Zverev, V. V.; Rubinstein, B. Ya.

1991-04-01

We analyze the statistical behavior of signals in nonlinear circuits with delayed feedback in the presence of external Markovian noise. For the special class of circuits with intense phase mixing we develop an approach for the computation of the probability distributions and multitime correlation functions based on the random phase approximation. Both Gaussian and Kubo-Andersen models of external noise statistics are analyzed and the existence of the stationary (asymptotic) random process in the long-time limit is shown. We demonstrate that a nonlinear system with chaotic behavior becomes a noise amplifier with specific statistical transformation properties.

A frozen Gaussian approximation-based multi-level particle swarm optimization for seismic inversion

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

Li, Jinglai, E-mail: jinglaili@sjtu.edu.cn; Lin, Guang, E-mail: lin491@purdue.edu; Computational Sciences and Mathematics Division, Pacific Northwest National Laboratory, Richland, WA 99352

2015-09-01

In this paper, we propose a frozen Gaussian approximation (FGA)-based multi-level particle swarm optimization (MLPSO) method for seismic inversion of high-frequency wave data. The method addresses two challenges in it: First, the optimization problem is highly non-convex, which makes hard for gradient-based methods to reach global minima. This is tackled by MLPSO which can escape from undesired local minima. Second, the character of high-frequency of seismic waves requires a large number of grid points in direct computational methods, and thus renders an extremely high computational demand on the simulation of each sample in MLPSO. We overcome this difficulty by threemore » steps: First, we use FGA to compute high-frequency wave propagation based on asymptotic analysis on phase plane; Then we design a constrained full waveform inversion problem to prevent the optimization search getting into regions of velocity where FGA is not accurate; Last, we solve the constrained optimization problem by MLPSO that employs FGA solvers with different fidelity. The performance of the proposed method is demonstrated by a two-dimensional full-waveform inversion example of the smoothed Marmousi model.« less

Constrained sampling experiments reveal principles of detection in natural scenes.

PubMed

Sebastian, Stephen; Abrams, Jared; Geisler, Wilson S

2017-07-11

A fundamental everyday visual task is to detect target objects within a background scene. Using relatively simple stimuli, vision science has identified several major factors that affect detection thresholds, including the luminance of the background, the contrast of the background, the spatial similarity of the background to the target, and uncertainty due to random variations in the properties of the background and in the amplitude of the target. Here we use an experimental approach based on constrained sampling from multidimensional histograms of natural stimuli, together with a theoretical analysis based on signal detection theory, to discover how these factors affect detection in natural scenes. We sorted a large collection of natural image backgrounds into multidimensional histograms, where each bin corresponds to a particular luminance, contrast, and similarity. Detection thresholds were measured for a subset of bins spanning the space, where a natural background was randomly sampled from a bin on each trial. In low-uncertainty conditions, both the background bin and the amplitude of the target were fixed, and, in high-uncertainty conditions, they varied randomly on each trial. We found that thresholds increase approximately linearly along all three dimensions and that detection accuracy is unaffected by background bin and target amplitude uncertainty. The results are predicted from first principles by a normalized matched-template detector, where the dynamic normalizing gain factor follows directly from the statistical properties of the natural backgrounds. The results provide an explanation for classic laws of psychophysics and their underlying neural mechanisms.

Regular and Random Components in Aiming-Point Trajectory During Rifle Aiming and Shooting

PubMed Central

Goodman, Simon; Haufler, Amy; Shim, Jae Kun; Hatfield, Bradley

2009-01-01

The authors examined the kinematic qualities of the aiming trajectory as related to expertise. In all, 2 phases of the trajectory were discriminated. The first phase was regular approximation to the target accompanied by substantial fluctuations obeying the Weber–Fechner law. During the first phase, shooters did not initiate the triggering despite any random closeness of the aiming point (AP) to the target. In the second phase, beginning at 0.6–0.8 s before the trigger pull, shooters applied a different control strategy: They waited until the following random fluctuation brought the AP closer to the target and then initiated triggering. This strategy is tenable when sensitivity of perception is greater than precision of the motor action, and could be considered a case of stochastic resonance. The strategies that novices and experts used distinguished only in the values of parameters. The authors present an analytical model explaining the main properties of shooting. PMID:19508963

Model of chiral spin liquids with Abelian and non-Abelian topological phases

NASA Astrophysics Data System (ADS)

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio; Tsvelik, A. M.

2017-12-01

We present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, the Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.

Efficient and stable exponential time differencing Runge-Kutta methods for phase field elastic bending energy models

NASA Astrophysics Data System (ADS)

Wang, Xiaoqiang; Ju, Lili; Du, Qiang

2016-07-01

The Willmore flow formulated by phase field dynamics based on the elastic bending energy model has been widely used to describe the shape transformation of biological lipid vesicles. In this paper, we develop and investigate some efficient and stable numerical methods for simulating the unconstrained phase field Willmore dynamics and the phase field Willmore dynamics with fixed volume and surface area constraints. The proposed methods can be high-order accurate and are completely explicit in nature, by combining exponential time differencing Runge-Kutta approximations for time integration with spectral discretizations for spatial operators on regular meshes. We also incorporate novel linear operator splitting techniques into the numerical schemes to improve the discrete energy stability. In order to avoid extra numerical instability brought by use of large penalty parameters in solving the constrained phase field Willmore dynamics problem, a modified augmented Lagrange multiplier approach is proposed and adopted. Various numerical experiments are performed to demonstrate accuracy and stability of the proposed methods.

Enhancing Security of Double Random Phase Encoding Based on Random S-Box

NASA Astrophysics Data System (ADS)

Girija, R.; Singh, Hukum

2018-06-01

In this paper, we propose a novel asymmetric cryptosystem for double random phase encoding (DRPE) using random S-Box. While utilising S-Box separately is not reliable and DRPE does not support non-linearity, so, our system unites the effectiveness of S-Box with an asymmetric system of DRPE (through Fourier transform). The uniqueness of proposed cryptosystem lies on employing high sensitivity dynamic S-Box for our DRPE system. The randomness and scalability achieved due to applied technique is an additional feature of the proposed solution. The firmness of random S-Box is investigated in terms of performance parameters such as non-linearity, strict avalanche criterion, bit independence criterion, linear and differential approximation probabilities etc. S-Boxes convey nonlinearity to cryptosystems which is a significant parameter and very essential for DRPE. The strength of proposed cryptosystem has been analysed using various parameters such as MSE, PSNR, correlation coefficient analysis, noise analysis, SVD analysis, etc. Experimental results are conferred in detail to exhibit proposed cryptosystem is highly secure.

Energy and criticality in random Boolean networks

NASA Astrophysics Data System (ADS)

Andrecut, M.; Kauffman, S. A.

2008-06-01

The central issue of the research on the Random Boolean Networks (RBNs) model is the characterization of the critical transition between ordered and chaotic phases. Here, we discuss an approach based on the ‘energy’ associated with the unsatisfiability of the Boolean functions in the RBNs model, which provides an upper bound estimation for the energy used in computation. We show that in the ordered phase the RBNs are in a ‘dissipative’ regime, performing mostly ‘downhill’ moves on the ‘energy’ landscape. Also, we show that in the disordered phase the RBNs have to ‘hillclimb’ on the ‘energy’ landscape in order to perform computation. The analytical results, obtained using Derrida's approximation method, are in complete agreement with numerical simulations.

Low-Energy Excitation Spectra in the Excitonic Phase of Cobalt Oxides

NASA Astrophysics Data System (ADS)

Yamaguchi, Tomoki; Sugimoto, Koudai; Ohta, Yukinori

2017-04-01

We study the excitonic phase and low-energy excitation spectra of perovskite cobalt oxides. Constructing the five-orbital Hubbard model defined on the three-dimensional cubic lattice for the 3d bands of Pr0.5Ca0.5CoO3, we calculate the excitonic susceptibility in the normal state in the random-phase approximation (RPA) to show the presence of the instability toward excitonic condensation. On the basis of the excitonic ground state with a magnetic multipole obtained in the mean-field approximation, we calculate the dynamical susceptibility of the excitonic phase in the RPA and find that there appear a gapless collective excitation in the spin-transverse mode (Goldstone mode) and a gapful collective excitation in the spin-longitudinal mode (Higgs mode). The experimental relevance of our results is discussed.

Quantum mechanics as classical statistical mechanics with an ontic extension and an epistemic restriction.

PubMed

Budiyono, Agung; Rohrlich, Daniel

2017-11-03

Where does quantum mechanics part ways with classical mechanics? How does quantum randomness differ fundamentally from classical randomness? We cannot fully explain how the theories differ until we can derive them within a single axiomatic framework, allowing an unambiguous account of how one theory is the limit of the other. Here we derive non-relativistic quantum mechanics and classical statistical mechanics within a common framework. The common axioms include conservation of average energy and conservation of probability current. But two axioms distinguish quantum mechanics from classical statistical mechanics: an "ontic extension" defines a nonseparable (global) random variable that generates physical correlations, and an "epistemic restriction" constrains allowed phase space distributions. The ontic extension and epistemic restriction, with strength on the order of Planck's constant, imply quantum entanglement and uncertainty relations. This framework suggests that the wave function is epistemic, yet it does not provide an ontic dynamics for individual systems.

Interpersonal coordination tendencies shape 1-vs-1 sub-phase performance outcomes in youth soccer.

PubMed

Duarte, Ricardo; Araújo, Duarte; Davids, Keith; Travassos, Bruno; Gazimba, Vítor; Sampaio, Jaime

2012-05-01

This study investigated the influence of interpersonal coordination tendencies on performance outcomes of 1-vs-1 sub-phases in youth soccer. Eight male developing soccer players (age: 11.8 ± 0.4 years; training experience: 3.6 ± 1.1 years) performed an in situ simulation of a 1-vs-1 sub-phase of soccer. Data from 82 trials were obtained with motion-analysis techniques, and relative phase used to measure the space-time coordination tendencies of attacker-defender dyads. Approximate entropy (ApEn) was then used to quantify the unpredictability of interpersonal interactions over trials. Results revealed how different modes of interpersonal coordination emerging from attacker-defender dyads influenced the 1-vs-1 performance outcomes. High levels of space-time synchronisation (47%) and unpredictability in interpersonal coordination processes (ApEn: 0.91 ± 0.34) were identified as key features of an attacking player's success. A lead-lag relation attributed to a defending player (34% around -30° values) and a more predictable coordination mode (ApEn: 0.65 ± 0.27, P < 0.001), demonstrated the coordination tendencies underlying the success of defending players in 1-vs-1 sub-phases. These findings revealed how the mutual influence of each player on the behaviour of dyadic systems shaped emergent performance outcomes. More specifically, the findings showed that attacking players should be constrained to exploit the space-time synchrony with defenders in an unpredictable and creative way, while defenders should be encouraged to adopt postures and behaviours that actively constrain the attacker's actions.

Statistical estimation of ultrasonic propagation path parameters for aberration correction.

PubMed

Waag, Robert C; Astheimer, Jeffrey P

2005-05-01

Parameters in a linear filter model for ultrasonic propagation are found using statistical estimation. The model uses an inhomogeneous-medium Green's function that is decomposed into a homogeneous-transmission term and a path-dependent aberration term. Power and cross-power spectra of random-medium scattering are estimated over the frequency band of the transmit-receive system by using closely situated scattering volumes. The frequency-domain magnitude of the aberration is obtained from a normalization of the power spectrum. The corresponding phase is reconstructed from cross-power spectra of subaperture signals at adjacent receive positions by a recursion. The subapertures constrain the receive sensitivity pattern to eliminate measurement system phase contributions. The recursion uses a Laplacian-based algorithm to obtain phase from phase differences. Pulse-echo waveforms were acquired from a point reflector and a tissue-like scattering phantom through a tissue-mimicking aberration path from neighboring volumes having essentially the same aberration path. Propagation path aberration parameters calculated from the measurements of random scattering through the aberration phantom agree with corresponding parameters calculated for the same aberrator and array position by using echoes from the point reflector. The results indicate the approach describes, in addition to time shifts, waveform amplitude and shape changes produced by propagation through distributed aberration under realistic conditions.

On the predictive control of foveal eye tracking and slow phases of optokinetic and vestibular nystagmus.

PubMed Central

Yasui, S; Young, L R

1984-01-01

Smooth pursuit and saccadic components of foveal visual tracking as well as more involuntary ocular movements of optokinetic (o.k.n.) and vestibular nystagmus slow phase components were investigated in man, with particular attention given to their possible input-adaptive or predictive behaviour. Each component in question was isolated from the eye movement records through a computer-aided procedure. The frequency response method was used with sinusoidal (predictable) and pseudo-random (unpredictable) stimuli. When the target motion was pseudo-random, the frequency response of pursuit eye movements revealed a large phase lead (up to about 90 degrees) at low stimulus frequencies. It is possible to interpret this result as a predictive effect, even though the stimulation was pseudo-random and thus 'unpredictable'. The pseudo-random-input frequency response intrinsic to the saccadic system was estimated in an indirect way from the pursuit and composite (pursuit + saccade) frequency response data. The result was fitted well by a servo-mechanism model, which has a simple anticipatory mechanism to compensate for the inherent neuromuscular saccadic delay by utilizing the retinal slip velocity signal. The o.k.n. slow phase also exhibited a predictive effect with sinusoidal inputs; however, pseudo-random stimuli did not produce such phase lead as found in the pursuit case. The vestibular nystagmus slow phase showed no noticeable sign of prediction in the frequency range examined (0 approximately 0.7 Hz), in contrast to the results of the visually driven eye movements (i.e. saccade, pursuit and o.k.n. slow phase) at comparable stimulus frequencies. PMID:6707954

Automatic Cell Segmentation Using a Shape-Classification Model in Immunohistochemically Stained Cytological Images

NASA Astrophysics Data System (ADS)

Shah, Shishir

This paper presents a segmentation method for detecting cells in immunohistochemically stained cytological images. A two-phase approach to segmentation is used where an unsupervised clustering approach coupled with cluster merging based on a fitness function is used as the first phase to obtain a first approximation of the cell locations. A joint segmentation-classification approach incorporating ellipse as a shape model is used as the second phase to detect the final cell contour. The segmentation model estimates a multivariate density function of low-level image features from training samples and uses it as a measure of how likely each image pixel is to be a cell. This estimate is constrained by the zero level set, which is obtained as a solution to an implicit representation of an ellipse. Results of segmentation are presented and compared to ground truth measurements.

Roles of antinucleon degrees of freedom in the relativistic random phase approximation

NASA Astrophysics Data System (ADS)

Kurasawa, Haruki; Suzuki, Toshio

2015-11-01

The roles of antinucleon degrees of freedom in the relativistic random phase approximation (RPA) are investigated. The energy-weighted sum of the RPA transition strengths is expressed in terms of the double commutator between the excitation operator and the Hamiltonian, as in nonrelativistic models. The commutator, however, should not be calculated in the usual way in the local field theory, because, otherwise, the sum vanishes. The sum value obtained correctly from the commutator is infinite, owing to the Dirac sea. Most of the previous calculations take into account only some of the nucleon-antinucleon states, in order to avoid divergence problems. As a result, RPA states with negative excitation energy appear, which make the sum value vanish. Moreover, disregarding the divergence changes the sign of nuclear interactions in the RPA equation that describes the coupling of the nucleon particle-hole states with the nucleon-antinucleon states. Indeed, the excitation energies of the spurious state and giant monopole states in the no-sea approximation are dominated by these unphysical changes. The baryon current conservation can be described without touching the divergence problems. A schematic model with separable interactions is presented, which makes the structure of the relativistic RPA transparent.

Estimation of gloss from rough surface parameters

NASA Astrophysics Data System (ADS)

Simonsen, Ingve; Larsen, Åge G.; Andreassen, Erik; Ommundsen, Espen; Nord-Varhaug, Katrin

2005-12-01

Gloss is a quantity used in the optical industry to quantify and categorize materials according to how well they scatter light specularly. With the aid of phase perturbation theory, we derive an approximate expression for this quantity for a one-dimensional randomly rough surface. It is demonstrated that gloss depends in an exponential way on two dimensionless quantities that are associated with the surface randomness: the root-mean-square roughness times the perpendicular momentum transfer for the specular direction, and a correlation function dependent factor times a lateral momentum variable associated with the collection angle. Rigorous Monte Carlo simulations are used to access the quality of this approximation, and good agreement is observed over large regions of parameter space.

Approximation for discrete Fourier transform and application in study of three-dimensional interacting electron gas.

PubMed

Yan, Xin-Zhong

2011-07-01

The discrete Fourier transform is approximated by summing over part of the terms with corresponding weights. The approximation reduces significantly the requirement for computer memory storage and enhances the numerical computation efficiency with several orders without losing accuracy. As an example, we apply the algorithm to study the three-dimensional interacting electron gas under the renormalized-ring-diagram approximation where the Green's function needs to be self-consistently solved. We present the results for the chemical potential, compressibility, free energy, entropy, and specific heat of the system. The ground-state energy obtained by the present calculation is compared with the existing results of Monte Carlo simulation and random-phase approximation.

Importance of σ Bonding Electrons for the Accurate Description of Electron Correlation in Graphene.

PubMed

Zheng, Huihuo; Gan, Yu; Abbamonte, Peter; Wagner, Lucas K

2017-10-20

Electron correlation in graphene is unique because of the interplay between the Dirac cone dispersion of π electrons and long-range Coulomb interaction. Because of the zero density of states at Fermi level, the random phase approximation predicts no metallic screening at long distance and low energy, so one might expect that graphene should be a poorly screened system. However, empirically graphene is a weakly interacting semimetal, which leads to the question of how electron correlations take place in graphene at different length scales. We address this question by computing the equal time and dynamic structure factor S(q) and S(q,ω) of freestanding graphene using ab initio fixed-node diffusion Monte Carlo simulations and the random phase approximation. We find that the σ electrons contribute strongly to S(q,ω) for relevant experimental values of ω even at distances up to around 80 Å. These findings illustrate how the emergent physics from underlying Coulomb interactions results in the observed weakly correlated semimetal.

Deformation-induced splitting of the isoscalar E 0 giant resonance: Skyrme random-phase-approximation analysis

NASA Astrophysics Data System (ADS)

Kvasil, J.; Nesterenko, V. O.; Repko, A.; Kleinig, W.; Reinhard, P.-G.

2016-12-01

The deformation-induced splitting of isoscalar giant monopole resonance (ISGMR) is systematically analyzed in a wide range of masses covering medium, rare-earth, actinide, and superheavy axial deformed nuclei. The study is performed within the fully self-consistent quasiparticle random-phase-approximation method based on the Skyrme functional. Two Skyrme forces, one with a large (SV-bas) and one with a small (SkP) nuclear incompressibility, are considered. The calculations confirm earlier results that, because of the deformation-induced E 0 -E 2 coupling, the isoscalar E 0 resonance attains a double-peak structure and significant energy upshift. Our results are compared with available analytic estimations. Unlike earlier studies, we get a smaller energy difference between the lower and upper peaks and thus a stronger E 0 -E 2 coupling. This in turn results in more pumping of E 0 strength into the lower peak and more pronounced splitting of ISGMR. We also discuss widths of the peaks and their negligible correlation with deformation.

Moiré-pattern interlayer potentials in van der Waals materials in the random-phase approximation

NASA Astrophysics Data System (ADS)

Leconte, Nicolas; Jung, Jeil; Lebègue, Sébastien; Gould, Tim

2017-11-01

Stacking-dependent interlayer interactions are important for understanding the structural and electronic properties in incommensurable two-dimensional material assemblies where long-range moiré patterns arise due to small lattice constant mismatch or twist angles. Here we study the stacking-dependent interlayer coupling energies between graphene (G) and hexagonal boron nitride (BN) homo- and heterostructures using high-level random-phase approximation (RPA) ab initio calculations. Our results show that although total binding energies within LDA and RPA differ substantially by a factor of 200%-400%, the energy differences as a function of stacking configuration yield nearly constant values with variations smaller than 20%, meaning that LDA estimates are quite reliable. We produce phenomenological fits to these energy differences, which allows us to calculate various properties of interest including interlayer spacing, sliding energetics, pressure gradients, and elastic coefficients to high accuracy. The importance of long-range interactions (captured by RPA but not LDA) on various properties is also discussed. Parametrizations for all fits are provided.

Excitation energies from particle-particle random phase approximation with accurate optimized effective potentials

NASA Astrophysics Data System (ADS)

Jin, Ye; Yang, Yang; Zhang, Du; Peng, Degao; Yang, Weitao

2017-10-01

The optimized effective potential (OEP) that gives accurate Kohn-Sham (KS) orbitals and orbital energies can be obtained from a given reference electron density. These OEP-KS orbitals and orbital energies are used here for calculating electronic excited states with the particle-particle random phase approximation (pp-RPA). Our calculations allow the examination of pp-RPA excitation energies with the exact KS density functional theory (DFT). Various input densities are investigated. Specifically, the excitation energies using the OEP with the electron densities from the coupled-cluster singles and doubles method display the lowest mean absolute error from the reference data for the low-lying excited states. This study probes into the theoretical limit of the pp-RPA excitation energies with the exact KS-DFT orbitals and orbital energies. We believe that higher-order correlation contributions beyond the pp-RPA bare Coulomb kernel are needed in order to achieve even higher accuracy in excitation energy calculations.

Performance Analysis of Direct-Sequence Code-Division Multiple-Access Communications with Asymmetric Quadrature Phase-Shift-Keying Modulation

NASA Technical Reports Server (NTRS)

Wang, C.-W.; Stark, W.

2005-01-01

This article considers a quaternary direct-sequence code-division multiple-access (DS-CDMA) communication system with asymmetric quadrature phase-shift-keying (AQPSK) modulation for unequal error protection (UEP) capability. Both time synchronous and asynchronous cases are investigated. An expression for the probability distribution of the multiple-access interference is derived. The exact bit-error performance and the approximate performance using a Gaussian approximation and random signature sequences are evaluated by extending the techniques used for uniform quadrature phase-shift-keying (QPSK) and binary phase-shift-keying (BPSK) DS-CDMA systems. Finally, a general system model with unequal user power and the near-far problem is considered and analyzed. The results show that, for a system with UEP capability, the less protected data bits are more sensitive to the near-far effect that occurs in a multiple-access environment than are the more protected bits.

High antiferromagnetic transition temperature of a honeycomb compound SrRu 2O 6

DOE PAGES

Tian, Wei; Svoboda, Chris; Ochi, M.; ...

2015-09-14

We study the high-temperature magnetic order in a quasi-two-dimensional honeycomb compound SrRu 2O 6 by measuring magnetization and neutron powder diffraction with both polarized and unpolarized neutrons. SrRu 2O 6 crystallizes into the hexagonal lead antimonate (PbSb 2O 6, space group P31m) structure with layers of edge-sharing RuO6 octahedra separated by Sr 2+ ions. SrRu 2O 6 is found to order at T N = 565 K with Ru moments coupled antiferromagnetically both in plane and out of plane. The magnetic moment is 1.30(2) μ B/Ru at room temperature and is along the crystallographic c axis in the G-type magneticmore » structure. We perform density functional calculations with constrained random-phase approximation (RPA) to obtain the electronic structure and effective intra- and interorbital interaction parameters. The projected density of states shows strong hybridization between Ru 4d and O 2p. By downfolding to the target t 2g bands we extract the effective magnetic Hamiltonian and perform Monte Carlo simulations to determine the transition temperature as a function of interand intraplane couplings. We find a weak interplane coupling, 3% of the strong intraplane coupling, permits three-dimensional magnetic order at the observed T N .« less

Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe, and FeTe

NASA Astrophysics Data System (ADS)

Nakamura, Kazuma; Miyake, Takashi; Arita, Ryotaro; Imada, Masatoshi

2010-03-01

We present effective low-energy models for LaFePO and LaFeAsO (1111 family), BaFe2As2 (122), LiFeAs (111), and FeSe and FeTe (11) [1], based on ab initio downfolding scheme, a constrained random-phase-approximation method combined with maximally localized Wannier functions. Comparison among the effective models, derived for 5 Fe-3d bands, provides a basis for interpreting physics/chemistry; material dependences of electron correlations, a multiband character entangled by the 3d orbitals, and the geometrical frustration depending on hybridizations between iron and pnictogen/chalcogen orbitals. We found that LaFePO in the 1111 family resides in the weak correlation regime, while LaFeAsO and 111/122 compounds are the intermediate region and FeSe and FeTe in the 11 family are located in the strong correlation regime. A principal parameter relevant to the physics is clarified to be the pnictogen/chalcogen height from the iron layer. Implications in low-energy properties including magnetism and superconductivity are discussed. [1] T. Miyake, K. Nakamura, R. Arita, and M. Imada, arXiv:0911.3705.

Thermodynamic Constraints Improve Metabolic Networks.

PubMed

Krumholz, Elias W; Libourel, Igor G L

2017-08-08

In pursuit of establishing a realistic metabolic phenotypic space, the reversibility of reactions is thermodynamically constrained in modern metabolic networks. The reversibility constraints follow from heuristic thermodynamic poise approximations that take anticipated cellular metabolite concentration ranges into account. Because constraints reduce the feasible space, draft metabolic network reconstructions may need more extensive reconciliation, and a larger number of genes may become essential. Notwithstanding ubiquitous application, the effect of reversibility constraints on the predictive capabilities of metabolic networks has not been investigated in detail. Instead, work has focused on the implementation and validation of the thermodynamic poise calculation itself. With the advance of fast linear programming-based network reconciliation, the effects of reversibility constraints on network reconciliation and gene essentiality predictions have become feasible and are the subject of this study. Networks with thermodynamically informed reversibility constraints outperformed gene essentiality predictions compared to networks that were constrained with randomly shuffled constraints. Unconstrained networks predicted gene essentiality as accurately as thermodynamically constrained networks, but predicted substantially fewer essential genes. Networks that were reconciled with sequence similarity data and strongly enforced reversibility constraints outperformed all other networks. We conclude that metabolic network analysis confirmed the validity of the thermodynamic constraints, and that thermodynamic poise information is actionable during network reconciliation. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

The detection of impact regions of asteroids' orbits by means of constrained minimization of confidence coefficient. (Russian Title: Выявление областей столкновительных орбит астероидов с помощью условной минимизации доверительного коэффициента)

NASA Astrophysics Data System (ADS)

Baturin, A. P.

2014-12-01

The theme of NEO's impact orbits' regions detecting has been considered. The regions have been detected in the space of initial motion parameters. The detecting has been done by means of constrained minimization of so called "confidence coefficient". This coefficient determines the position of an orbit inside its confidence ellipsoid obtained from a least-square orbit fitting. As a condition the constraining of an asteroid-Earth distance at considered encounter has been used. By means of random variation of initial approximations for the minimization and of the parameter constraining an asteroid-Earth distance it has been demonstrated that impact regions usually have a form of some long tubes in the space of initial motion parameters. The demonstration has been done for the asteroids 2009 FD, 2011 TO and 2012 PB20 at their waited closest encounters to the Earth.

Large-N -approximated field theory for multipartite entanglement

NASA Astrophysics Data System (ADS)

Facchi, P.; Florio, G.; Parisi, G.; Pascazio, S.; Scardicchio, A.

2015-12-01

We try to characterize the statistics of multipartite entanglement of the random states of an n -qubit system. Unable to solve the problem exactly we generalize it, replacing complex numbers with real vectors with Nc components (the original problem is recovered for Nc=2 ). Studying the leading diagrams in the large-Nc approximation, we unearth the presence of a phase transition and, in an explicit example, show that the so-called entanglement frustration disappears in the large-Nc limit.

Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State Functional.

PubMed

Ziegler, Tom; Krykunov, Mykhaylo; Autschbach, Jochen

2014-09-09

The random phase approximation (RPA) equation of adiabatic time dependent density functional ground state response theory (ATDDFT) has been used extensively in studies of excited states. It extracts information about excited states from frequency dependent ground state response properties and avoids, thus, in an elegant way, direct Kohn-Sham calculations on excited states in accordance with the status of DFT as a ground state theory. Thus, excitation energies can be found as resonance poles of frequency dependent ground state polarizability from the eigenvalues of the RPA equation. ATDDFT is approximate in that it makes use of a frequency independent energy kernel derived from the ground state functional. It is shown in this study that one can derive the RPA equation of ATDDFT from a purely variational approach in which stationary states above the ground state are located using our constricted variational DFT (CV-DFT) method and the ground state functional. Thus, locating stationary states above the ground state due to one-electron excitations with a ground state functional is completely equivalent to solving the RPA equation of TDDFT employing the same functional. The present study is an extension of a previous work in which we demonstrated the equivalence between ATDDFT and CV-DFT within the Tamm-Dancoff approximation.

Retrieving cirrus microphysical properties from stellar aureoles

NASA Astrophysics Data System (ADS)

DeVore, J. G.; Kristl, J. A.; Rappaport, S. A.

2013-06-01

The aureoles around stars caused by thin cirrus limit nighttime measurement opportunities for ground-based astronomy, but can provide information on high-altitude ice crystals for climate research. In this paper we attempt to demonstrate quantitatively how this works. Aureole profiles can be followed out to ~0.2° from stars and ~0.5° from Jupiter. Interpretation of diffracted starlight is similar to that for sunlight, but emphasizes larger particles. Stellar diffraction profiles are very distinctive, typically being approximately flat out to a critical angle followed by gradually steepening power-law falloff with slope less steep than -3. Using the relationship between the phase function for diffraction and the average Fourier transform of the projected area of complex ice crystals, we show that defining particle size in terms of average projected area normal to the propagation direction of the starlight leads to a simple, analytic approximation representing large-particle diffraction that is nearly independent of crystal habit. A similar analytic approximation for the diffraction aureole allows it to be separated from the point spread function and the sky background. Multiple scattering is deconvolved using the Hankel transform leading to the diffraction phase function. Application of constrained numerical inversion to the phase function then yields a solution for the particle size distribution in the range between ~50 μm and ~400 μm. Stellar aureole measurements can provide one of the very few, as well as least expensive, methods for retrieving cirrus microphysical properties from ground-based observations.

Predictive uncertainty analysis of a saltwater intrusion model using null-space Monte Carlo

USGS Publications Warehouse

Herckenrath, Daan; Langevin, Christian D.; Doherty, John

2011-01-01

Because of the extensive computational burden and perhaps a lack of awareness of existing methods, rigorous uncertainty analyses are rarely conducted for variable-density flow and transport models. For this reason, a recently developed null-space Monte Carlo (NSMC) method for quantifying prediction uncertainty was tested for a synthetic saltwater intrusion model patterned after the Henry problem. Saltwater intrusion caused by a reduction in fresh groundwater discharge was simulated for 1000 randomly generated hydraulic conductivity distributions, representing a mildly heterogeneous aquifer. From these 1000 simulations, the hydraulic conductivity distribution giving rise to the most extreme case of saltwater intrusion was selected and was assumed to represent the "true" system. Head and salinity values from this true model were then extracted and used as observations for subsequent model calibration. Random noise was added to the observations to approximate realistic field conditions. The NSMC method was used to calculate 1000 calibration-constrained parameter fields. If the dimensionality of the solution space was set appropriately, the estimated uncertainty range from the NSMC analysis encompassed the truth. Several variants of the method were implemented to investigate their effect on the efficiency of the NSMC method. Reducing the dimensionality of the null-space for the processing of the random parameter sets did not result in any significant gains in efficiency and compromised the ability of the NSMC method to encompass the true prediction value. The addition of intrapilot point heterogeneity to the NSMC process was also tested. According to a variogram comparison, this provided the same scale of heterogeneity that was used to generate the truth. However, incorporation of intrapilot point variability did not make a noticeable difference to the uncertainty of the prediction. With this higher level of heterogeneity, however, the computational burden of generating calibration-constrained parameter fields approximately doubled. Predictive uncertainty variance computed through the NSMC method was compared with that computed through linear analysis. The results were in good agreement, with the NSMC method estimate showing a slightly smaller range of prediction uncertainty than was calculated by the linear method. Copyright 2011 by the American Geophysical Union.

Concatenated shift registers generating maximally spaced phase shifts of PN-sequences

NASA Technical Reports Server (NTRS)

Hurd, W. J.; Welch, L. R.

1977-01-01

A large class of linearly concatenated shift registers is shown to generate approximately maximally spaced phase shifts of pn-sequences, for use in pseudorandom number generation. A constructive method is presented for finding members of this class, for almost all degrees for which primitive trinomials exist. The sequences which result are not normally characterized by trinomial recursions, which is desirable since trinomial sequences can have some undesirable randomness properties.

Model of chiral spin liquids with Abelian and non-Abelian topological phases

DOE PAGES

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio; ...

2017-12-15

In this article, we present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, themore » Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.« less

Model of chiral spin liquids with Abelian and non-Abelian topological phases

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

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio

In this article, we present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, themore » Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.« less

An Approximation Solution to Refinery Crude Oil Scheduling Problem with Demand Uncertainty Using Joint Constrained Programming

PubMed Central

Duan, Qianqian; Yang, Genke; Xu, Guanglin; Pan, Changchun

2014-01-01

This paper is devoted to develop an approximation method for scheduling refinery crude oil operations by taking into consideration the demand uncertainty. In the stochastic model the demand uncertainty is modeled as random variables which follow a joint multivariate distribution with a specific correlation structure. Compared to deterministic models in existing works, the stochastic model can be more practical for optimizing crude oil operations. Using joint chance constraints, the demand uncertainty is treated by specifying proximity level on the satisfaction of product demands. However, the joint chance constraints usually hold strong nonlinearity and consequently, it is still hard to handle it directly. In this paper, an approximation method combines a relax-and-tight technique to approximately transform the joint chance constraints to a serial of parameterized linear constraints so that the complicated problem can be attacked iteratively. The basic idea behind this approach is to approximate, as much as possible, nonlinear constraints by a lot of easily handled linear constraints which will lead to a well balance between the problem complexity and tractability. Case studies are conducted to demonstrate the proposed methods. Results show that the operation cost can be reduced effectively compared with the case without considering the demand correlation. PMID:24757433

An approximation solution to refinery crude oil scheduling problem with demand uncertainty using joint constrained programming.

PubMed

Duan, Qianqian; Yang, Genke; Xu, Guanglin; Pan, Changchun

2014-01-01

This paper is devoted to develop an approximation method for scheduling refinery crude oil operations by taking into consideration the demand uncertainty. In the stochastic model the demand uncertainty is modeled as random variables which follow a joint multivariate distribution with a specific correlation structure. Compared to deterministic models in existing works, the stochastic model can be more practical for optimizing crude oil operations. Using joint chance constraints, the demand uncertainty is treated by specifying proximity level on the satisfaction of product demands. However, the joint chance constraints usually hold strong nonlinearity and consequently, it is still hard to handle it directly. In this paper, an approximation method combines a relax-and-tight technique to approximately transform the joint chance constraints to a serial of parameterized linear constraints so that the complicated problem can be attacked iteratively. The basic idea behind this approach is to approximate, as much as possible, nonlinear constraints by a lot of easily handled linear constraints which will lead to a well balance between the problem complexity and tractability. Case studies are conducted to demonstrate the proposed methods. Results show that the operation cost can be reduced effectively compared with the case without considering the demand correlation.

Neural Network Assisted Inverse Dynamic Guidance for Terminally Constrained Entry Flight

PubMed Central

Chen, Wanchun

2014-01-01

This paper presents a neural network assisted entry guidance law that is designed by applying Bézier approximation. It is shown that a fully constrained approximation of a reference trajectory can be made by using the Bézier curve. Applying this approximation, an inverse dynamic system for an entry flight is solved to generate guidance command. The guidance solution thus gotten ensures terminal constraints for position, flight path, and azimuth angle. In order to ensure terminal velocity constraint, a prediction of the terminal velocity is required, based on which, the approximated Bézier curve is adjusted. An artificial neural network is used for this prediction of the terminal velocity. The method enables faster implementation in achieving fully constrained entry flight. Results from simulations indicate improved performance of the neural network assisted method. The scheme is expected to have prospect for further research on automated onboard control of terminal velocity for both reentry and terminal guidance laws. PMID:24723821

Correlational correction to plasmon dispersion

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

Kalman, G.; Golden, K.I.

The authors question the suggestion that plasmon dispersion increases for small values of the coupling over its random-phase-approximation value, and conclude that, contrary to what has been stated in the literature, it does not: high-frequency-moment sum-rule and Kramers-Kronig arguments, when properly treated, do not entail such a consequence.

Testing for nonlinearity in non-stationary physiological time series.

PubMed

Guarín, Diego; Delgado, Edilson; Orozco, Álvaro

2011-01-01

Testing for nonlinearity is one of the most important preprocessing steps in nonlinear time series analysis. Typically, this is done by means of the linear surrogate data methods. But it is a known fact that the validity of the results heavily depends on the stationarity of the time series. Since most physiological signals are non-stationary, it is easy to falsely detect nonlinearity using the linear surrogate data methods. In this document, we propose a methodology to extend the procedure for generating constrained surrogate time series in order to assess nonlinearity in non-stationary data. The method is based on the band-phase-randomized surrogates, which consists (contrary to the linear surrogate data methods) in randomizing only a portion of the Fourier phases in the high frequency domain. Analysis of simulated time series showed that in comparison to the linear surrogate data method, our method is able to discriminate between linear stationarity, linear non-stationary and nonlinear time series. Applying our methodology to heart rate variability (HRV) records of five healthy patients, we encountered that nonlinear correlations are present in this non-stationary physiological signals.

Solution of a Complex Least Squares Problem with Constrained Phase.

PubMed

Bydder, Mark

2010-12-30

The least squares solution of a complex linear equation is in general a complex vector with independent real and imaginary parts. In certain applications in magnetic resonance imaging, a solution is desired such that each element has the same phase. A direct method for obtaining the least squares solution to the phase constrained problem is described.

Complementary Constrains on Component based Multiphase Flow Problems, Should It Be Implemented Locally or Globally?

NASA Astrophysics Data System (ADS)

Shao, H.; Huang, Y.; Kolditz, O.

2015-12-01

Multiphase flow problems are numerically difficult to solve, as it often contains nonlinear Phase transition phenomena A conventional technique is to introduce the complementarity constraints where fluid properties such as liquid saturations are confined within a physically reasonable range. Based on such constraints, the mathematical model can be reformulated into a system of nonlinear partial differential equations coupled with variational inequalities. They can be then numerically handled by optimization algorithms. In this work, two different approaches utilizing the complementarity constraints based on persistent primary variables formulation[4] are implemented and investigated. The first approach proposed by Marchand et.al[1] is using "local complementary constraints", i.e. coupling the constraints with the local constitutive equations. The second approach[2],[3] , namely the "global complementary constrains", applies the constraints globally with the mass conservation equation. We will discuss how these two approaches are applied to solve non-isothermal componential multiphase flow problem with the phase change phenomenon. Several benchmarks will be presented for investigating the overall numerical performance of different approaches. The advantages and disadvantages of different models will also be concluded. References[1] E.Marchand, T.Mueller and P.Knabner. Fully coupled generalized hybrid-mixed finite element approximation of two-phase two-component flow in porous media. Part I: formulation and properties of the mathematical model, Computational Geosciences 17(2): 431-442, (2013). [2] A. Lauser, C. Hager, R. Helmig, B. Wohlmuth. A new approach for phase transitions in miscible multi-phase flow in porous media. Water Resour., 34,(2011), 957-966. [3] J. Jaffré, and A. Sboui. Henry's Law and Gas Phase Disappearance. Transp. Porous Media. 82, (2010), 521-526. [4] A. Bourgeat, M. Jurak and F. Smaï. Two-phase partially miscible flow and transport modeling in porous media : application to gas migration in a nuclear waste repository, Comp.Geosciences. (2009), Volume 13, Number 1, 29-42.

Phase computations and phase models for discrete molecular oscillators.

PubMed

Suvak, Onder; Demir, Alper

2012-06-11

Biochemical oscillators perform crucial functions in cells, e.g., they set up circadian clocks. The dynamical behavior of oscillators is best described and analyzed in terms of the scalar quantity, phase. A rigorous and useful definition for phase is based on the so-called isochrons of oscillators. Phase computation techniques for continuous oscillators that are based on isochrons have been used for characterizing the behavior of various types of oscillators under the influence of perturbations such as noise. In this article, we extend the applicability of these phase computation methods to biochemical oscillators as discrete molecular systems, upon the information obtained from a continuous-state approximation of such oscillators. In particular, we describe techniques for computing the instantaneous phase of discrete, molecular oscillators for stochastic simulation algorithm generated sample paths. We comment on the accuracies and derive certain measures for assessing the feasibilities of the proposed phase computation methods. Phase computation experiments on the sample paths of well-known biological oscillators validate our analyses. The impact of noise that arises from the discrete and random nature of the mechanisms that make up molecular oscillators can be characterized based on the phase computation techniques proposed in this article. The concept of isochrons is the natural choice upon which the phase notion of oscillators can be founded. The isochron-theoretic phase computation methods that we propose can be applied to discrete molecular oscillators of any dimension, provided that the oscillatory behavior observed in discrete-state does not vanish in a continuous-state approximation. Analysis of the full versatility of phase noise phenomena in molecular oscillators will be possible if a proper phase model theory is developed, without resorting to such approximations.

Phase computations and phase models for discrete molecular oscillators

PubMed Central

2012-01-01

Background Biochemical oscillators perform crucial functions in cells, e.g., they set up circadian clocks. The dynamical behavior of oscillators is best described and analyzed in terms of the scalar quantity, phase. A rigorous and useful definition for phase is based on the so-called isochrons of oscillators. Phase computation techniques for continuous oscillators that are based on isochrons have been used for characterizing the behavior of various types of oscillators under the influence of perturbations such as noise. Results In this article, we extend the applicability of these phase computation methods to biochemical oscillators as discrete molecular systems, upon the information obtained from a continuous-state approximation of such oscillators. In particular, we describe techniques for computing the instantaneous phase of discrete, molecular oscillators for stochastic simulation algorithm generated sample paths. We comment on the accuracies and derive certain measures for assessing the feasibilities of the proposed phase computation methods. Phase computation experiments on the sample paths of well-known biological oscillators validate our analyses. Conclusions The impact of noise that arises from the discrete and random nature of the mechanisms that make up molecular oscillators can be characterized based on the phase computation techniques proposed in this article. The concept of isochrons is the natural choice upon which the phase notion of oscillators can be founded. The isochron-theoretic phase computation methods that we propose can be applied to discrete molecular oscillators of any dimension, provided that the oscillatory behavior observed in discrete-state does not vanish in a continuous-state approximation. Analysis of the full versatility of phase noise phenomena in molecular oscillators will be possible if a proper phase model theory is developed, without resorting to such approximations. PMID:22687330

Achieving a strongly negative scattering asymmetry factor in random media composed of dual-dipolar particles

NASA Astrophysics Data System (ADS)

Wang, B. X.; Zhao, C. Y.

2018-02-01

Understanding radiative transfer in random media like micro- or nanoporous and particulate materials, allows people to manipulate the scattering and absorption of radiation, as well as opens new possibilities in applications such as imaging through turbid media, photovoltaics, and radiative cooling. A strong-backscattering phase function, i.e., a negative scattering asymmetry parameter g , is of great interest, which can possibly lead to unusual radiative transport phenomena, for instance, Anderson localization of light. Here we demonstrate that by utilizing the structural correlations and second Kerker condition for a disordered medium composed of randomly distributed silicon nanoparticles, a strongly negative scattering asymmetry factor (g ˜-0.5 ) for multiple light scattering can be realized in the near infrared. Based on the multipole expansion of Foldy-Lax equations and quasicrystalline approximation (QCA), we have rigorously derived analytical expressions for the effective propagation constant and scattering phase function for a random system containing spherical particles, by taking the effect of structural correlations into account. We show that as the concentration of scattering particles rises, the backscattering is also enhanced. Moreover, in this circumstance, the transport mean free path is largely reduced and even becomes smaller than that predicted by independent scattering approximation. We further explore the dependent scattering effects, including the modification of electric and magnetic dipole excitations and far-field interference effect, both induced and influenced by the structural correlations, for volume fraction of particles up to fv˜0.25 . Our results have profound implications in harnessing micro- or nanoscale radiative transfer through random media.

A genotype-directed comparative effectiveness trial of Bucindolol and metoprolol succinate for prevention of symptomatic atrial fibrillation/atrial flutter in patients with heart failure: Rationale and design of the GENETIC-AF trial.

PubMed

Piccini, Jonathan P; Connolly, Stuart J; Abraham, William T; Healey, Jeff S; Steinberg, Benjamin A; Al-Khalidi, Hussein R; Dignacco, Patricia; van Veldhuisen, Dirk J; Sauer, William H; White, Michel; Wilton, Stephen B; Anand, Inder S; Dufton, Christopher; Marshall, Debra A; Aleong, Ryan G; Davis, Gordon W; Clark, Richard L; Emery, Laura L; Bristow, Michael R

2018-05-01

Few therapies are available for the safe and effective treatment of atrial fibrillation (AF) in patients with heart failure. Bucindolol is a non-selective beta-blocker with mild vasodilator activity previously found to have accentuated antiarrhythmic effects and increased efficacy for preventing heart failure events in patients homozygous for the major allele of the ADRB1 Arg389Gly polymorphism (ADRB1 Arg389Arg genotype). The safety and efficacy of bucindolol for the prevention of AF or atrial flutter (AFL) in these patients has not been proven in randomized trials. The Genotype-Directed Comparative Effectiveness Trial of Bucindolol and Metoprolol Succinate for Prevention of Symptomatic Atrial Fibrillation/Atrial Flutter in Patients with Heart Failure (GENETIC-AF) trial is a multicenter, randomized, double-blinded "seamless" phase 2B/3 trial of bucindolol hydrochloride versus metoprolol succinate, for the prevention of symptomatic AF/AFL in patients with reduced ejection fraction heart failure (HFrEF). Patients with pre-existing HFrEF and recent history of symptomatic AF are eligible for enrollment and genotype screening, and if they are ADRB1 Arg389Arg, eligible for randomization. A total of approximately 200 patients will comprise the phase 2B component and if pre-trial assumptions are met, 620 patients will be randomized at approximately 135 sites to form the Phase 3 population. The primary endpoint is the time to recurrence of symptomatic AF/AFL or mortality over a 24-week follow-up period, and the trial will continue until 330 primary endpoints have occurred. GENETIC-AF is the first randomized trial of pharmacogenetic guided rhythm control, and will test the safety and efficacy of bucindolol compared with metoprolol succinate for the prevention of recurrent symptomatic AF/AFL in patients with HFrEF and an ADRB1 Arg389Arg genotype. (ClinicalTrials.govNCT01970501). Copyright © 2017 Elsevier Inc. All rights reserved.

Electroweak penguin amplitudes and constraints on γ in charmless B-->VP decays

NASA Astrophysics Data System (ADS)

Gronau, Michael

2000-07-01

Electroweak penguin (EWP) amplitudes are studied model independently in B meson decays to charmless final states consisting of a vector meson (V) and a pseudoscalar meson (P). A set of SU(3) relations is derived between EWP contributions and tree amplitudes, in the approximation of retaining only the dominant EWP operators Q9 and Q10. Two applications are described for constraining the weak phase γ, in B+/--->ρ+/-K0 and B+/--->ρ0K+/- (or B+/--->K*+/-π0 and B+/--->K*0π+/-), and in B0-->K*+/-π-/+ and B+/--->φK+/-. Theoretical uncertainties are discussed.

Restrictions on the Quasi-Linear Description of Electron-Chorus Interaction in the Earth's Magnetosphere

NASA Technical Reports Server (NTRS)

Khazanov, George V.; Sibeck, David G.

2013-01-01

The interaction of electrons with coherent chorus waves in the random phase approximation can be described as quasi-linear diffusion for waves with amplitudes below some limit. The limit is calculated for relativistic and non-relativistic electrons. For stronger waves, the friction force should be taken into account.

Flux quantization in aperiodic and periodic networks

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

Behrooz, A.

1987-01-01

The phase boundary of quasicrystalline, quasi-periodic, and random networks, was studied. It was found that if a network is composed of two different tiles, whose areas are relatively irrational, then the T/sub c/ (H) curve shows large-scale structure at fields that approximate flux quantization around the tiles, i.e., when the ratio of fluxoids contained in the large tiles to those in the small tiles is a rational approximant to the irrational area ratio. The phase boundaries of quasi-crystalline and quasi-periodic networks show fine structure indicating the existence of commensurate vortex superlattices on these networks. No such fine structure is foundmore » on the random array. For a quasi-crystal whose quasi-periodic long-range order is characterized by the irrational number of tau, the commensurate vortex lattices are all found at H = H/sub 0/ absolute value n + m tau (n,m integers). It was found that the commensurate superlattices on quasicrystalline as well as on crystalline networks are related to the inflation symmetry. A general definition of commensurability is proposed.« less

0 ν β β -decay nuclear matrix element for light and heavy neutrino mass mechanisms from deformed quasiparticle random-phase approximation calculations for 76Ge, 82Se, 130Te, 136Xe, and 150Nd with isospin restoration

NASA Astrophysics Data System (ADS)

Fang, Dong-Liang; Faessler, Amand; Šimkovic, Fedor

2018-04-01

In this paper, with restored isospin symmetry, we evaluated the neutrinoless double-β -decay nuclear matrix elements for 76Ge, 82Se, 130Te, 136Xe, and 150Nd for both the light and heavy neutrino mass mechanisms using the deformed quasiparticle random-phase approximation approach with realistic forces. We give detailed decompositions of the nuclear matrix elements over different intermediate states and nucleon pairs, and discuss how these decompositions are affected by the model space truncations. Compared to the spherical calculations, our results show reductions from 30 % to about 60 % of the nuclear matrix elements for the calculated isotopes mainly due to the presence of the BCS overlap factor between the initial and final ground states. The comparison between different nucleon-nucleon (NN) forces with corresponding short-range correlations shows that the choice of the NN force gives roughly 20 % deviations for the light exchange neutrino mechanism and much larger deviations for the heavy neutrino exchange mechanism.

Pion properties at finite isospin chemical potential with isospin symmetry breaking

NASA Astrophysics Data System (ADS)

Wu, Zuqing; Ping, Jialun; Zong, Hongshi

2017-12-01

Pion properties at finite temperature, finite isospin and baryon chemical potentials are investigated within the SU(2) NJL model. In the mean field approximation for quarks and random phase approximation fpr mesons, we calculate the pion mass, the decay constant and the phase diagram with different quark masses for the u quark and d quark, related to QCD corrections, for the first time. Our results show an asymmetry between μI <0 and μI >0 in the phase diagram, and different values for the charged pion mass (or decay constant) and neutral pion mass (or decay constant) at finite temperature and finite isospin chemical potential. This is caused by the effect of isospin symmetry breaking, which is from different quark masses. Supported by National Natural Science Foundation of China (11175088, 11475085, 11535005, 11690030) and the Fundamental Research Funds for the Central Universities (020414380074)

All-electron quasiparticle self-consistent GW band structures for SrTiO 3 including lattice polarization corrections in different phases

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

Bhandari, Churna; van Schilfgaarde, Mark; Kotani, Takao

The electronic band structure of SrTiO3 is investigated in the all-electron quasiparticle self-consistent GW (QSGW) approximation. Unlike previous pseudopotential-based QSGW or single-shot G0W0 calculations, the gap is found to be significantly overestimated compared to experiment. After putting in a correction for the underestimate of the screening by the random phase approximation in terms of a 0.8Σ approach, the gap is still overestimated. The 0.8Σ approach is discussed and justified in terms of various recent literature results including electron-hole corrections. Adding a lattice polarization correction (LPC) in the q→0 limit for the screening of W, agreement with experiment is recovered. Themore » LPC is alternatively estimated using a polaron model. Here, we apply our approach to the cubic and tetragonal phases as well as a hypothetical layered postperovskite structure and find that the local density approximation (LDA) to GW gap correction is almost independent of structure.« less

All-electron quasiparticle self-consistent GW band structures for SrTiO 3 including lattice polarization corrections in different phases

DOE PAGES

Bhandari, Churna; van Schilfgaarde, Mark; Kotani, Takao; ...

2018-01-23

The electronic band structure of SrTiO3 is investigated in the all-electron quasiparticle self-consistent GW (QSGW) approximation. Unlike previous pseudopotential-based QSGW or single-shot G0W0 calculations, the gap is found to be significantly overestimated compared to experiment. After putting in a correction for the underestimate of the screening by the random phase approximation in terms of a 0.8Σ approach, the gap is still overestimated. The 0.8Σ approach is discussed and justified in terms of various recent literature results including electron-hole corrections. Adding a lattice polarization correction (LPC) in the q→0 limit for the screening of W, agreement with experiment is recovered. Themore » LPC is alternatively estimated using a polaron model. Here, we apply our approach to the cubic and tetragonal phases as well as a hypothetical layered postperovskite structure and find that the local density approximation (LDA) to GW gap correction is almost independent of structure.« less

Approximating Multilinear Monomial Coefficients and Maximum Multilinear Monomials in Multivariate Polynomials

NASA Astrophysics Data System (ADS)

Chen, Zhixiang; Fu, Bin

This paper is our third step towards developing a theory of testing monomials in multivariate polynomials and concentrates on two problems: (1) How to compute the coefficients of multilinear monomials; and (2) how to find a maximum multilinear monomial when the input is a ΠΣΠ polynomial. We first prove that the first problem is #P-hard and then devise a O *(3 n s(n)) upper bound for this problem for any polynomial represented by an arithmetic circuit of size s(n). Later, this upper bound is improved to O *(2 n ) for ΠΣΠ polynomials. We then design fully polynomial-time randomized approximation schemes for this problem for ΠΣ polynomials. On the negative side, we prove that, even for ΠΣΠ polynomials with terms of degree ≤ 2, the first problem cannot be approximated at all for any approximation factor ≥ 1, nor "weakly approximated" in a much relaxed setting, unless P=NP. For the second problem, we first give a polynomial time λ-approximation algorithm for ΠΣΠ polynomials with terms of degrees no more a constant λ ≥ 2. On the inapproximability side, we give a n (1 - ɛ)/2 lower bound, for any ɛ> 0, on the approximation factor for ΠΣΠ polynomials. When the degrees of the terms in these polynomials are constrained as ≤ 2, we prove a 1.0476 lower bound, assuming Pnot=NP; and a higher 1.0604 lower bound, assuming the Unique Games Conjecture.

Field-theoretical approach to a dense polymer with an ideal binary mixture of clustering centers.

PubMed

Fantoni, Riccardo; Müller-Nedebock, Kristian K

2011-07-01

We propose a field-theoretical approach to a polymer system immersed in an ideal mixture of clustering centers. The system contains several species of these clustering centers with different functionality, each of which connects a fixed number segments of the chain to each other. The field theory is solved using the saddle point approximation and evaluated for dense polymer melts using the random phase approximation. We find a short-ranged effective intersegment interaction with strength dependent on the average segment density and discuss the structure factor within this approximation. We also determine the fractions of linkers of the different functionalities.

Correlation energy functional within the GW -RPA: Exact forms, approximate forms, and challenges

NASA Astrophysics Data System (ADS)

Ismail-Beigi, Sohrab

2010-05-01

In principle, the Luttinger-Ward Green’s-function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact expressions for the correlation energy within the GW -random-phase approximation that are more amenable to computation and allow for developing efficient approximations to the self-energy operator and correlation energy. The exact form is a sum over differences between plasmon and interband energies. The approximate forms are based on summing over screened interband transitions. We also demonstrate that blind extremization of such functionals leads to unphysical results: imposing physical constraints on the allowed solutions (Green’s functions) is necessary. Finally, we present some relevant numerical results for atomic systems.

Are genetically robust regulatory networks dynamically different from random ones?

NASA Astrophysics Data System (ADS)

Sevim, Volkan; Rikvold, Per Arne

We study a genetic regulatory network model developed to demonstrate that genetic robustness can evolve through stabilizing selection for optimal phenotypes. We report preliminary results on whether such selection could result in a reorganization of the state space of the system. For the chosen parameters, the evolution moves the system slightly toward the more ordered part of the phase diagram. We also find that strong memory effects cause the Derrida annealed approximation to give erroneous predictions about the model's phase diagram.

Beyond the random phase approximation: Stimulated Brillouin backscatter for finite laser coherence times

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

Korotkevich, Alexander O.; Lushnikov, Pavel M., E-mail: plushnik@math.unm.edu; Landau Institute for Theoretical Physics, 2 Kosygin Str., Moscow 119334

2015-01-15

We developed a linear theory of backward stimulated Brillouin scatter (BSBS) of a spatially and temporally random laser beam relevant for laser fusion. Our analysis reveals a new collective regime of BSBS (CBSBS). Its intensity threshold is controlled by diffraction, once cT{sub c} exceeds a laser speckle length, with T{sub c} the laser coherence time. The BSBS spatial gain rate is approximately the sum of that due to CBSBS, and a part which is independent of diffraction and varies linearly with T{sub c}. The CBSBS spatial gain rate may be reduced significantly by the temporal bandwidth of KrF-based laser systemsmore » compared to the bandwidth currently available to temporally smoothed glass-based laser systems.« less

Multipole ordering and collective excitations in the excitonic phase of Pr0.5Ca0.5CoO3

NASA Astrophysics Data System (ADS)

Yamaguchi, Tomoki; Sugimoto, Koudai; Ohta, Yukinori

2018-05-01

As an extension of our previous paper (Yamaguchi et al., 2017) [24], we study the carrier doping dependence of the excitonic condensation in Pr0.5Ca0.5CoO3 using the random-phase and mean-field approximations for the realistic five-orbital Hubbard model. We show that the spin-triplet excitonic phase with a magnetic multipole ordering is stable against the doping of carriers in a considerable range around Co3+ (or 3d6). We discuss experimental relevance of our results.

Constraining the inclination of the Low-Mass X-ray Binary Cen X-4

NASA Astrophysics Data System (ADS)

Hammerstein, Erica K.; Cackett, Edward M.; Reynolds, Mark T.; Miller, Jon M.

2018-05-01

We present the results of ellipsoidal light curve modeling of the low mass X-ray binary Cen X-4 in order to constrain the inclination of the system and mass of the neutron star. Near-IR photometric monitoring was performed in May 2008 over a period of three nights at Magellan using PANIC. We obtain J, H and K lightcurves of Cen X-4 using differential photometry. An ellipsoidal modeling code was used to fit the phase folded light curves. The lightcurve fit which makes the least assumptions about the properties of the binary system yields an inclination of 34.9^{+4.9}_{-3.6} degrees (1σ), which is consistent with previous determinations of the system's inclination but with improved statistical uncertainties. When combined with the mass function and mass ratio, this inclination yields a neutron star mass of 1.51^{+0.40}_{-0.55} M⊙. This model allows accretion disk parameters to be free in the fitting process. Fits that do not allow for an accretion disk component in the near-IR flux gives a systematically lower inclination between approximately 33 and 34 degrees, leading to a higher mass neutron star between approximately 1.7 M⊙ and 1.8 M⊙. We discuss the implications of other assumptions made during the modeling process as well as numerous free parameters and their effects on the resulting inclination.

QCD-inspired spectra from Blue's functions

NASA Astrophysics Data System (ADS)

Nowak, Maciej A.; Papp, Gábor; Zahed, Ismail

1996-02-01

We use the law of addition in random matrix theory to analyze the spectral distributions of a variety of chiral random matrix models as inspired from QCD whether through symmetries or models. In terms of the Blue's functions recently discussed by Zee, we show that most of the spectral distributions in the macroscopic limit and the quenched approximation, follow algebraically from the discontinuity of a pertinent solution to a cubic (Cardano) or a quartic (Ferrari) equation. We use the end-point equation of the energy spectra in chiral random matrix models to argue for novel phase structures, in which the Dirac density of states plays the role of an order parameter.

Plane-wave pseudopotential implementation and performance of SCAN meta-GGA exchange-correlation functional for extended systems

NASA Astrophysics Data System (ADS)

Yao, Yi; Kanai, Yosuke

2017-06-01

We present the implementation and performance of the strongly constrained and appropriately normed, SCAN, meta-GGA exchange-correlation (XC) approximation in the planewave-pseudopotential (PW-PP) formalism using the Troullier-Martins pseudopotential scheme. We studied its performance by applying the PW-PP implementation to several practical applications of interest in condensed matter sciences: (a) crystalline silicon and germanium, (b) martensitic phase transition energetics of phosphorene, and (c) a single water molecule physisorption on a graphene sheet. Given the much-improved accuracy over the GGA functionals and its relatively low computational cost compared to hybrid XC functionals, the SCAN functional is highly promising for various practical applications of density functional theory calculations for condensed matter systems. At same time, the SCAN meta-GGA functional appears to require more careful attention to numerical details. The meta-GGA functional shows more significant dependence on the fast Fourier transform grid, which is used for evaluating the XC potential in real space in the PW-PP formalism, than other more conventional GGA functionals do. Additionally, using pseudopotentials that are generated at a different/lower level of XC approximation could introduce noticeable errors in calculating some properties such as phase transition energetics.

Thermodynamic optimization of mixed refrigerant Joule- Thomson systems constrained by heat transfer considerations

NASA Astrophysics Data System (ADS)

Hinze, J. F.; Klein, S. A.; Nellis, G. F.

2015-12-01

Mixed refrigerant (MR) working fluids can significantly increase the cooling capacity of a Joule-Thomson (JT) cycle. The optimization of MRJT systems has been the subject of substantial research. However, most optimization techniques do not model the recuperator in sufficient detail. For example, the recuperator is usually assumed to have a heat transfer coefficient that does not vary with the mixture. Ongoing work at the University of Wisconsin-Madison has shown that the heat transfer coefficients for two-phase flow are approximately three times greater than for a single phase mixture when the mixture quality is between 15% and 85%. As a result, a system that optimizes a MR without also requiring that the flow be in this quality range may require an extremely large recuperator or not achieve the performance predicted by the model. To ensure optimal performance of the JT cycle, the MR should be selected such that it is entirely two-phase within the recuperator. To determine the optimal MR composition, a parametric study was conducted assuming a thermodynamically ideal cycle. The results of the parametric study are graphically presented on a contour plot in the parameter space consisting of the extremes of the qualities that exist within the recuperator. The contours show constant values of the normalized refrigeration power. This ‘map’ shows the effect of MR composition on the cycle performance and it can be used to select the MR that provides a high cooling load while also constraining the recuperator to be two phase. The predicted best MR composition can be used as a starting point for experimentally determining the best MR.

Self-consistency in the phonon space of the particle-phonon coupling model

NASA Astrophysics Data System (ADS)

Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

2018-04-01

In the paper the nonlinear generalization of the time blocking approximation (TBA) is presented. The TBA is one of the versions of the extended random-phase approximation (RPA) developed within the Green-function method and the particle-phonon coupling model. In the generalized version of the TBA the self-consistency principle is extended onto the phonon space of the model. The numerical examples show that this nonlinear version of the TBA leads to the convergence of results with respect to enlarging the phonon space of the model.

Vortex knots in tangled quantum eigenfunctions

PubMed Central

Taylor, Alexander J.; Dennis, Mark R.

2016-01-01

Tangles of string typically become knotted, from macroscopic twine down to long-chain macromolecules such as DNA. Here, we demonstrate that knotting also occurs in quantum wavefunctions, where the tangled filaments are vortices (nodal lines/phase singularities). The probability that a vortex loop is knotted is found to increase with its length, and a wide gamut of knots from standard tabulations occur. The results follow from computer simulations of random superpositions of degenerate eigenstates of three simple quantum systems: a cube with periodic boundaries, the isotropic three-dimensional harmonic oscillator and the 3-sphere. In the latter two cases, vortex knots occur frequently, even in random eigenfunctions at relatively low energy, and are constrained by the spatial symmetries of the modes. The results suggest that knotted vortex structures are generic in complex three-dimensional wave systems, establishing a topological commonality between wave chaos, polymers and turbulent Bose–Einstein condensates. PMID:27468801

The effects of particle shape, size, and interaction on colloidal glasses and gels

NASA Astrophysics Data System (ADS)

Kramb, Ryan C.

Using multiple step seeded emulsion polymerization reactions, colloid particles of tunable shape are synthesized from polystyrene. In all, four particle shapes are studied referred to as spheres (S), heteronuclear dicolloids (hDC), symmetric homonuclear dicolloids (sDC), and tricolloids (TC). Two size ranges of particles are studied with approximate diameters in the range of 200-300nm and 1.1-1.3mum. The solvent ionic strength is varied from 10 -3M to 1M resulting in particle interaction potentials that range from repulsive to attractive. The effect of anisotropic shape is found to increase the glass transition volume fraction (φg) in good agreement with activated naive Mode Coupling Theory (nMCT) calculations. Differences in φg and the linear elastic modulus (G0') due to particle shape can be understood in terms of the Random Close Packed volume fraction (φRCP ) for each shape; φRCP- φg is a constant. In addition, a reentrant phase diagram is found for S and sDC particles with a maximum in the fluid state volume fraction found at weakly attractive interaction potential, in agreement well with theoretical calculations. Nonlinear rheology and yielding behavior of repulsive and attractive spheres and anisotropic particles are examined and understood in terms of barriers constraining motion. The barriers are due to interparticle bonds or cages constraining translational or rotational motion. Yield stress has similar volume fraction dependence as G 0' and a similar framework is used to understand differences due to particle shape and interaction. For larger particles, the effects of shape and interaction are studied with respect to dynamic yielding and shear thickening. The dynamic yield stress is found to increase with volume fraction while the stress at thickening is constant. The intersection of these indicates a possible jamming point below φRCP.

Flux Quantization in Aperiodic and Periodic Networks

NASA Astrophysics Data System (ADS)

Behrooz, Angelika

The normal - superconducting phase boundary, T_{c}(H), of a periodic wire network shows periodic oscillations with period H _{o} = phi_ {o}/A due to flux quantization around the individual plaquettes (of area A) of the network. The magnetic flux quantum is phi_{o } = hc/2e. The phase boundary also shows fine structure at fields H = (p/q)H_{o} (p,q integers), where the flux vortices can form commensurate superlattices on the periodic substrate. We have studied the phase boundary of quasicrystalline, quasiperiodic and random networks. We have found that if a network is composed of two different tiles, whose areas are relatively irrational then the T_ {c}(H) curve shows large scale structure at fields that approximate flux quantization around the tiles, i.e. when the ratio of fluxoids contained in the large tiles to those in the small tiles is a rational approximant to the irrational area ratio. The phase boundaries of quasicrystalline and quasiperiodic networks show fine structure indicating the existence of commensurate vortex superlattices on these networks. No such fine structure is found on the random array. For a quasicrystal whose quasiperiodic long-range order is characterized by the irrational number tau the commensurate vortex lattices are all found at H = H_{o}| n + mtau| (n,m integers). We have found that the commensurate superlattices on quasicrystalline as well as on crystalline networks are related to the inflation symmetry. We propose a general definition of commensurability.

Time-lapse three-dimensional inversion of complex conductivity data using an active time constrained (ATC) approach

USGS Publications Warehouse

Karaoulis, M.; Revil, A.; Werkema, D.D.; Minsley, B.J.; Woodruff, W.F.; Kemna, A.

2011-01-01

Induced polarization (more precisely the magnitude and phase of impedance of the subsurface) is measured using a network of electrodes located at the ground surface or in boreholes. This method yields important information related to the distribution of permeability and contaminants in the shallow subsurface. We propose a new time-lapse 3-D modelling and inversion algorithm to image the evolution of complex conductivity over time. We discretize the subsurface using hexahedron cells. Each cell is assigned a complex resistivity or conductivity value. Using the finite-element approach, we model the in-phase and out-of-phase (quadrature) electrical potentials on the 3-D grid, which are then transformed into apparent complex resistivity. Inhomogeneous Dirichlet boundary conditions are used at the boundary of the domain. The calculation of the Jacobian matrix is based on the principles of reciprocity. The goal of time-lapse inversion is to determine the change in the complex resistivity of each cell of the spatial grid as a function of time. Each model along the time axis is called a 'reference space model'. This approach can be simplified into an inverse problem looking for the optimum of several reference space models using the approximation that the material properties vary linearly in time between two subsequent reference models. Regularizations in both space domain and time domain reduce inversion artefacts and improve the stability of the inversion problem. In addition, the use of the time-lapse equations allows the simultaneous inversion of data obtained at different times in just one inversion step (4-D inversion). The advantages of this new inversion algorithm are demonstrated on synthetic time-lapse data resulting from the simulation of a salt tracer test in a heterogeneous random material described by an anisotropic semi-variogram. ?? 2011 The Authors Geophysical Journal International ?? 2011 RAS.

Phase accuracy evaluation for phase-shifting fringe projection profilometry based on uniform-phase coded image

NASA Astrophysics Data System (ADS)

Zhang, Chunwei; Zhao, Hong; Zhu, Qian; Zhou, Changquan; Qiao, Jiacheng; Zhang, Lu

2018-06-01

Phase-shifting fringe projection profilometry (PSFPP) is a three-dimensional (3D) measurement technique widely adopted in industry measurement. It recovers the 3D profile of measured objects with the aid of the fringe phase. The phase accuracy is among the dominant factors that determine the 3D measurement accuracy. Evaluation of the phase accuracy helps refine adjustable measurement parameters, contributes to evaluating the 3D measurement accuracy, and facilitates improvement of the measurement accuracy. Although PSFPP has been deeply researched, an effective, easy-to-use phase accuracy evaluation method remains to be explored. In this paper, methods based on the uniform-phase coded image (UCI) are presented to accomplish phase accuracy evaluation for PSFPP. These methods work on the principle that the phase value of a UCI can be manually set to be any value, and once the phase value of a UCI pixel is the same as that of a pixel of a corresponding sinusoidal fringe pattern, their phase accuracy values are approximate. The proposed methods provide feasible approaches to evaluating the phase accuracy for PSFPP. Furthermore, they can be used to experimentally research the property of the random and gamma phase errors in PSFPP without the aid of a mathematical model to express random phase error or a large-step phase-shifting algorithm. In this paper, some novel and interesting phenomena are experimentally uncovered with the aid of the proposed methods.

Statistical theory of correlations in random packings of hard particles.

PubMed

Jin, Yuliang; Puckett, James G; Makse, Hernán A

2014-05-01

A random packing of hard particles represents a fundamental model for granular matter. Despite its importance, analytical modeling of random packings remains difficult due to the existence of strong correlations which preclude the development of a simple theory. Here, we take inspiration from liquid theories for the n-particle angular correlation function to develop a formalism of random packings of hard particles from the bottom up. A progressive expansion into a shell of particles converges in the large layer limit under a Kirkwood-like approximation of higher-order correlations. We apply the formalism to hard disks and predict the density of two-dimensional random close packing (RCP), ϕ(rcp) = 0.85 ± 0.01, and random loose packing (RLP), ϕ(rlp) = 0.67 ± 0.01. Our theory also predicts a phase diagram and angular correlation functions that are in good agreement with experimental and numerical data.

Dynamic Effects in the Photoionization of the 6s Subshell of Radon and Nobelium

NASA Astrophysics Data System (ADS)

Keating, David; Manson, Steven; Deshmukh, Pranawa

2017-04-01

Relativistic interactions are very important contributors to atomic properties. Of interest is the alterations made to the wave functions, i.e., the dynamics. These dynamical changes can greatly affect the photoionization cross section of heavy (high Z) atoms. To explore the extent of these dynamic effects a theoretical study of the 6s photoionization cross section of both radon (Z = 86) and nobelium (Z = 102) have been performed using the relativistic random phase approximation (RRPA) methodology. These two cases have been selected because they offer the clearest picture of the effects in question. In order to determine which features in the photoionization cross section are due to relativity, calculations using the (nonrelativistic) random phase approximation with exchange method (RPAE) are performed for comparison. Interchannel coupling can obscure the dynamic effects by ``pulling'' minima out of the discrete spectrum and into the continuum or by inducing minima. Therefore it is necessary to perform calculations without coupling included. This is possible thanks to the RRPA and RPAE codes being able to calculate cross sections with particular channels omitted. Comparisons are presented between calculations with and without interchannel coupling. Work supported by DOE and NSF.

Relativistic Confinement Resonances

NASA Astrophysics Data System (ADS)

Keating, David; Manson, Steven; Deshmukh, Pranawa

2017-04-01

Photoionization of confined atoms in a C60 fullerene have been under intense investigation in the recent years, in particular the confinement induced resonances, termed confinement resonances. The effects of the C60 potential are modeled by a static spherical well, with (in atomic units) inner radius r0 = 5.8, width Δ = 1.9, and depth U0 = -0.302, which is reasonable in the energy region well above the C60 plasmons. At very high Z, relativistic interactions become important contributors to even the qualitative nature of atomic properties; this is true for confined atomic properties as well. To explore the extent of these interactions, a theoretical study of several heavy atoms has been performed using the relativistic random phase approximation (RRPA) methodology. In order to determine which features in the photoionization cross section are due to relativity, calculations using the (nonrelativistic) random phase approximation with exchange method (RPAE) are performed for comparison. The existence of the second subshell of the spin-orbit-split doublets can induce new confinement resonances in the total cross section, which is the sum of the spin-orbit-split doublets, due to the shift in the doublet's threshold. Several examples for confined high-Z atoms are presented. Work supported by DOE and NSF.

Frequency dispersion of sound propagation in Rouse polymer melts via generalized dynamic random phase approximation.

PubMed

Erukhimovich, I Ya; Kudryavtsev, Ya V

2003-08-01

An extended generalization of the dynamic random phase approximation (DRPA) for L-component polymer systems is presented. Unlike the original version of the DRPA, which relates the (LxL) matrices of the collective density-density time correlation functions and the corresponding susceptibilities of concentrated polymer systems to those of the tracer macromolecules and so-called broken-links system (BLS), our generalized DRPA solves this problem for the (5xL) x (5xL) matrices of the coupled susceptibilities and time correlation functions of the component number, kinetic energy and flux densities. The presented technique is used to study propagation of sound and dynamic form-factor in disentangled (Rouse) monodisperse homopolymer melt. The calculated ultrasonic velocity and absorption coefficient reveal substantial frequency dispersion. The relaxation time tau is proportional to the degree of polymerization N, which is N times less than the Rouse time and evidences strong dynamic screening because of interchain interaction. We discuss also some peculiarities of the Brillouin scattering in polymer melts. Besides, a new convenient expression for the dynamic structure function of the single Rouse chain in (q,p) representation is found.

The effect of newly induced mutations on the fitness of genotypes and populations of yeast (Saccharomyces cerevisiae).

PubMed

Orthen, E; Lange, P; Wöhrmann, K

1984-12-01

This paper analyses the fate of artificially induced mutations and their importance to the fitness of populations of the yeast, Saccharomyces cerevisiae, an increasingly important model organism in population genetics. Diploid strains, treated with UV and EMS, were cultured asexually for approximately 540 generations and under conditions where the asexual growth was interrupted by a sexual phase. Growth rates of 100 randomly sampled diploid clones were estimated at the beginning and at the end of the experiment. After the induction of sporulation the growth rates of 100 randomly sampled spores were measured. UV and EMS treatment decreases the average growth rate of the clones significantly but increases the variability in comparison to the untreated control. After selection over approximately 540 generations, variability in growth rates was reduced to that of the untreated control. No increase in mean population fitness was observed. However, the results show that after selection there still exists a large amount of hidden genetic variability in the populations which is revealed when the clones are cultivated in environments other than those in which selection took place. A sexual phase increased the reduction of the induced variability.

Exploring dangerous neighborhoods: Latent Semantic Analysis and computing beyond the bounds of the familiar

PubMed Central

Cohen, Trevor; Blatter, Brett; Patel, Vimla

2005-01-01

Certain applications require computer systems to approximate intended human meaning. This is achievable in constrained domains with a finite number of concepts. Areas such as psychiatry, however, draw on concepts from the world-at-large. A knowledge structure with broad scope is required to comprehend such domains. Latent Semantic Analysis (LSA) is an unsupervised corpus-based statistical method that derives quantitative estimates of the similarity between words and documents from their contextual usage statistics. The aim of this research was to evaluate the ability of LSA to derive meaningful associations between concepts relevant to the assessment of dangerousness in psychiatry. An expert reference model of dangerousness was used to guide the construction of a relevant corpus. Derived associations between words in the corpus were evaluated qualitatively. A similarity-based scoring function was used to assign dangerousness categories to discharge summaries. LSA was shown to derive intuitive relationships between concepts and correlated significantly better than random with human categorization of psychiatric discharge summaries according to dangerousness. The use of LSA to derive a simulated knowledge structure can extend the scope of computer systems beyond the boundaries of constrained conceptual domains. PMID:16779020

A new phase of disordered phonons modelled by random matrices

NASA Astrophysics Data System (ADS)

Schmittner, Sebastian; Zirnbauer, Martin

2015-03-01

Starting from the clean harmonic crystal and not invoking two-level systems, we propose a model for phonons in a disordered solid. In this model the strength of mass and spring constant disorder can be increased separately. Both types of disorder are modelled by random matrices that couple the degrees of freedom locally. Treated in coherent potential approximation (CPA), the speed of sound decreases with increasing disorder until it reaches zero at finite disorder strength. There, a critical transition to a strong disorder phase occurs. In this novel phase, we find the density of states at zero energy in three dimensions to be finite, leading to a linear temperature dependence of the heat capacity, as observed experimentally for vitreous systems. For any disorder strength, our model is stable, i.e. masses and spring constants are positive, and there are no runaway dynamics. This is ensured by using appropriate probability distributions, inspired by Wishart ensembles, for the random matrices. The CPA self-consistency equations are derived in a very accessible way using planar diagrams. The talk focuses on the model and the results. The first author acknowledges financial support by the Deutsche Telekom Stiftung.

Multi-kW coherent combining of fiber lasers seeded with pseudo random phase modulated light

NASA Astrophysics Data System (ADS)

Flores, Angel; Ehrehreich, Thomas; Holten, Roger; Anderson, Brian; Dajani, Iyad

2016-03-01

We report efficient coherent beam combining of five kilowatt-class fiber amplifiers with a diffractive optical element (DOE). Based on a master oscillator power amplifier (MOPA) configuration, the amplifiers were seeded with pseudo random phase modulated light. Each non-polarization maintaining fiber amplifier was optically path length matched and provides approximately 1.2 kW of near diffraction-limited output power (measured M2<1.1). Consequently, a low power sample of each laser was utilized for active linear polarization control. A low power sample of the combined beam after the DOE provided an error signal for active phase locking which was performed via Locking of Optical Coherence by Single-Detector Electronic-Frequency Tagging (LOCSET). After phase stabilization, the beams were coherently combined via the 1x5 DOE. A total combined output power of 4.9 kW was achieved with 82% combining efficiency and excellent beam quality (M2<1.1). The intrinsic DOE splitter loss was 5%. Similarly, losses due in part to non-ideal polarization, ASE content, uncorrelated wavefront errors, and misalignment errors contributed to the efficiency reduction.

Random gauge models of the superconductor-insulator transition in two-dimensional disordered superconductors

NASA Astrophysics Data System (ADS)

Granato, Enzo

2017-11-01

We study numerically the superconductor-insulator transition in two-dimensional inhomogeneous superconductors with gauge disorder, described by four different quantum rotor models: a gauge glass, a flux glass, a binary phase glass, and a Gaussian phase glass. The first two models describe the combined effect of geometrical disorder in the array of local superconducting islands and a uniform external magnetic field, while the last two describe the effects of random negative Josephson-junction couplings or π junctions. Monte Carlo simulations in the path-integral representation of the models are used to determine the critical exponents and the universal conductivity at the quantum phase transition. The gauge- and flux-glass models display the same critical behavior, within the estimated numerical uncertainties. Similar agreement is found for the binary and Gaussian phase-glass models. Despite the different symmetries and disorder correlations, we find that the universal conductivity of these models is approximately the same. In particular, the ratio of this value to that of the pure model agrees with recent experiments on nanohole thin-film superconductors in a magnetic field, in the large disorder limit.

Constraining the interior density profile of a Jovian planet from precision gravity field data

NASA Astrophysics Data System (ADS)

Movshovitz, Naor; Fortney, Jonathan J.; Helled, Ravit; Hubbard, William B.; Thorngren, Daniel; Mankovich, Chris; Wahl, Sean; Militzer, Burkhard; Durante, Daniele

2017-10-01

The external gravity field of a planetary body is determined by the distribution of mass in its interior. Therefore, a measurement of the external field, properly interpreted, tells us about the interior density profile, ρ(r), which in turn can be used to constrain the composition in the interior and thereby learn about the formation mechanism of the planet. Planetary gravity fields are usually described by the coefficients in an expansion of the gravitational potential. Recently, high precision measurements of these coefficients for Jupiter and Saturn have been made by the radio science instruments on the Juno and Cassini spacecraft, respectively.The resulting coefficients come with an associated uncertainty. And while the task of matching a given density profile with a given set of gravity coefficients is relatively straightforward, the question of how best to account for the uncertainty is not. In essentially all prior work on matching models to gravity field data, inferences about planetary structure have rested on imperfect knowledge of the H/He equation of state and on the assumption of an adiabatic interior. Here we wish to vastly expand the phase space of such calculations. We present a framework for describing all the possible interior density structures of a Jovian planet, constrained only by a given set of gravity coefficients and their associated uncertainties. Our approach is statistical. We produce a random sample of ρ(a) curves drawn from the underlying (and unknown) probability distribution of all curves, where ρ is the density on an interior level surface with equatorial radius a. Since the resulting set of density curves is a random sample, that is, curves appear with frequency proportional to the likelihood of their being consistent with the measured gravity, we can compute probability distributions for any quantity that is a function of ρ, such as central pressure, oblateness, core mass and radius, etc. Our approach is also bayesian, in that it can utilize any prior assumptions about the planet's interior, as necessary, without being overly constrained by them.We demonstrate this approach with a sample of Jupiter interior models based on recent Juno data and discuss prospects for Saturn.

Constraining Saturn's interior density profile from precision gravity field measurement obtained during Grand Finale

NASA Astrophysics Data System (ADS)

Movshovitz, N.; Fortney, J. J.; Helled, R.; Hubbard, W. B.; Mankovich, C.; Thorngren, D.; Wahl, S. M.; Militzer, B.; Durante, D.

2017-12-01

The external gravity field of a planetary body is determined by the distribution of mass in its interior. Therefore, a measurement of the external field, properlyinterpreted, tells us about the interior density profile, ρ(r), which in turn can be used to constrain the composition in the interior and thereby learn about theformation mechanism of the planet. Recently, very high precision measurements of the gravity coefficients for Saturn have been made by the radio science instrument on the Cassini spacecraft during its Grand Finale orbits. The resulting coefficients come with an associated uncertainty. The task of matching a given density profile to a given set of gravity coefficients is relatively straightforward, but the question of how to best account for the uncertainty is not. In essentially all prior work on matching models to gravity field data inferences about planetary structure have rested on assumptions regarding the imperfectly known H/He equation of state and the assumption of an adiabatic interior. Here we wish to vastly expand the phase space of such calculations. We present a framework for describing all the possible interior density structures of a Jovian planet constrained by a given set of gravity coefficients and their associated uncertainties. Our approach is statistical. We produce a random sample of ρ(a) curves drawn from the underlying (and unknown) probability distribution of all curves, where ρ is the density on an interior level surface with equatorial radius a. Since the resulting set of density curves is a random sample, that is, curves appear with frequency proportional to the likelihood of their being consistent with the measured gravity, we can compute probability distributions for any quantity that is a function of ρ, such as central pressure, oblateness, core mass and radius, etc. Our approach is also Bayesian, in that it can utilize any prior assumptions about the planet's interior, as necessary, without being overly constrained by them. We apply this approach to produce a sample of Saturn interior models based on gravity data from Grand Finale orbits and discuss their implications.

Critical space-time networks and geometric phase transitions from frustrated edge antiferromagnetism

NASA Astrophysics Data System (ADS)

Trugenberger, Carlo A.

2015-12-01

Recently I proposed a simple dynamical network model for discrete space-time that self-organizes as a graph with Hausdorff dimension dH=4 . The model has a geometric quantum phase transition with disorder parameter (dH-ds) , where ds is the spectral dimension of the dynamical graph. Self-organization in this network model is based on a competition between a ferromagnetic Ising model for vertices and an antiferromagnetic Ising model for edges. In this paper I solve a toy version of this model defined on a bipartite graph in the mean-field approximation. I show that the geometric phase transition corresponds exactly to the antiferromagnetic transition for edges, the dimensional disorder parameter of the former being mapped to the staggered magnetization order parameter of the latter. The model has a critical point with long-range correlations between edges, where a continuum random geometry can be defined, exactly as in Kazakov's famed 2D random lattice Ising model but now in any number of dimensions.

On the utilization of engineering knowledge in design optimization

NASA Technical Reports Server (NTRS)

Papalambros, P.

1984-01-01

Some current research work conducted at the University of Michigan is described to illustrate efforts for incorporating knowledge in optimization in a nontraditional way. The incorporation of available knowledge in a logic structure is examined in two circumstances. The first examines the possibility of introducing global design information in a local active set strategy implemented during the iterations of projection-type algorithms for nonlinearly constrained problems. The technique used algorithms for nonlinearly constrained problems. The technique used combines global and local monotinicity analysis of the objective and constraint functions. The second examines a knowledge-based program which aids the user to create condigurations that are most desirable from the manufacturing assembly viewpoint. The data bank used is the classification scheme suggested by Boothroyd. The important aspect of this program is that it is an aid for synthesis intended for use in the design concept phase in a way similar to the so-called idea-triggers in creativity-enhancement techniques like brain-storming. The idea generation, however, is not random but it is driven by the goal of achieving the best acceptable configuration.

Outcomes with As-Needed Ranibizumab after Initial Monthly Therapy: Long-Term Outcomes of the Phase III RIDE and RISE Trials.

PubMed

Boyer, David S; Nguyen, Quan Dong; Brown, David M; Basu, Karen; Ehrlich, Jason S

2015-12-01

To determine whether the efficacy and safety achieved with monthly ranibizumab as treatment for diabetic macular edema (DME) can be maintained with less-than-monthly treatment. Open-label extension (OLE) phase of randomized, sham-controlled phase III trials: RIDE (NCT00473382) and RISE (NCT00473330). Five hundred of 582 adults who completed the 36-month randomized core studies elected to enter the OLE. All patients participating in the OLE were eligible to receive 0.5 mg ranibizumab according to predefined re-treatment criteria: Treatment was administered when DME was identified by the investigator on optical coherence tomography or when best-corrected visual acuity (BCVA) worsened by ≥5 Early Treatment Diabetic Retinopathy Study letters versus month 36. Patients were observed at 30-, 60-, or 90-day intervals depending on the need for treatment. The incidence and severity of ocular and nonocular events, proportion of patients with ≥15-letter best-corrected visual acuity (BCVA) gain from baseline, mean BCVA change from month 36 (final core study visit), mean central foveal thickness (CFT), and mean CFT change from month 36. A mean of 4.5 injections were administered over a mean follow-up of 14.1 months. Approximately 25% of patients did not require further treatment based on protocol-defined re-treatment criteria. Mean BCVA was sustained or improved in these patients through the end of follow-up. Approximately 75% of patients received ≥1 criteria-based re-treatment; mean time to first re-treatment was approximately 3 months after the last masked-phase visit. Mean BCVA remained stable in re-treated patients; CFT was generally stable with a trend toward slight thickening in all patients when mandatory monthly therapy was relaxed. Vision gains achieved after 1 or 3 years of monthly ranibizumab therapy were maintained with a marked reduction in treatment frequency; some patients required no additional treatment. These observations are consistent with other studies evaluating induction followed by maintenance ranibizumab therapy for DME. Patients whose treatment was deferred by 2 years (randomized initially to sham) did not ultimately achieve the same BCVA gains as patients who received ranibizumab from baseline. Ranibizumab's safety profile in the OLE appeared similar to that observed in the controlled core studies and other studies. Copyright © 2015 American Academy of Ophthalmology. Published by Elsevier Inc. All rights reserved.

Gravitational waveforms for neutron star binaries from binary black hole simulations

NASA Astrophysics Data System (ADS)

Barkett, Kevin; Scheel, Mark; Haas, Roland; Ott, Christian; Bernuzzi, Sebastiano; Brown, Duncan; Szilagyi, Bela; Kaplan, Jeffrey; Lippuner, Jonas; Muhlberger, Curran; Foucart, Francois; Duez, Matthew

2016-03-01

Gravitational waves from binary neutron star (BNS) and black-hole/neutron star (BHNS) inspirals are primary sources for detection by the Advanced Laser Interferometer Gravitational-Wave Observatory. The tidal forces acting on the neutron stars induce changes in the phase evolution of the gravitational waveform, and these changes can be used to constrain the nuclear equation of state. Current methods of generating BNS and BHNS waveforms rely on either computationally challenging full 3D hydrodynamical simulations or approximate analytic solutions. We introduce a new method for computing inspiral waveforms for BNS/BHNS systems by adding the post-Newtonian (PN) tidal effects to full numerical simulations of binary black holes (BBHs), effectively replacing the non-tidal terms in the PN expansion with BBH results. Comparing a waveform generated with this method against a full hydrodynamical simulation of a BNS inspiral yields a phase difference of < 1 radian over ~ 15 orbits. The numerical phase accuracy required of BNS simulations to measure the accuracy of the method we present here is estimated as a function of the tidal deformability parameter λ.

Gravitational waveforms for neutron star binaries from binary black hole simulations

NASA Astrophysics Data System (ADS)

Barkett, Kevin; Scheel, Mark A.; Haas, Roland; Ott, Christian D.; Bernuzzi, Sebastiano; Brown, Duncan A.; Szilágyi, Béla; Kaplan, Jeffrey D.; Lippuner, Jonas; Muhlberger, Curran D.; Foucart, Francois; Duez, Matthew D.

2016-02-01

Gravitational waves from binary neutron star (BNS) and black hole/neutron star (BHNS) inspirals are primary sources for detection by the Advanced Laser Interferometer Gravitational-Wave Observatory. The tidal forces acting on the neutron stars induce changes in the phase evolution of the gravitational waveform, and these changes can be used to constrain the nuclear equation of state. Current methods of generating BNS and BHNS waveforms rely on either computationally challenging full 3D hydrodynamical simulations or approximate analytic solutions. We introduce a new method for computing inspiral waveforms for BNS/BHNS systems by adding the post-Newtonian (PN) tidal effects to full numerical simulations of binary black holes (BBHs), effectively replacing the nontidal terms in the PN expansion with BBH results. Comparing a waveform generated with this method against a full hydrodynamical simulation of a BNS inspiral yields a phase difference of <1 radian over ˜15 orbits. The numerical phase accuracy required of BNS simulations to measure the accuracy of the method we present here is estimated as a function of the tidal deformability parameter λ .

A New Scheme for the Design of Hilbert Transform Pairs of Biorthogonal Wavelet Bases

NASA Astrophysics Data System (ADS)

Shi, Hongli; Luo, Shuqian

2010-12-01

In designing the Hilbert transform pairs of biorthogonal wavelet bases, it has been shown that the requirements of the equal-magnitude responses and the half-sample phase offset on the lowpass filters are the necessary and sufficient condition. In this paper, the relationship between the phase offset and the vanishing moment difference of biorthogonal scaling filters is derived, which implies a simple way to choose the vanishing moments so that the phase response requirement can be satisfied structurally. The magnitude response requirement is approximately achieved by a constrained optimization procedure, where the objective function and constraints are all expressed in terms of the auxiliary filters of scaling filters rather than the scaling filters directly. Generally, the calculation burden in the design implementation will be less than that of the current schemes. The integral of magnitude response difference between the primal and dual scaling filters has been chosen as the objective function, which expresses the magnitude response requirements in the whole frequency range. Two design examples illustrate that the biorthogonal wavelet bases designed by the proposed scheme are very close to Hilbert transform pairs.

Sum Rule for a Schiff-Like Dipole Moment

NASA Astrophysics Data System (ADS)

Raduta, A. A.; Budaca, R.

The energy-weighted sum rule for an electric dipole transition operator of a Schiff type differs from the Thomas-Reiche-Kuhn (TRK) sum rule by several corrective terms which depend on the number of system components, N. For illustration the formalism was applied to the case of Na clusters. One concludes that the random phase approximation (RPA) results for Na clusters obey the modified TRK sum rule.

A randomized controlled trial with bright light and melatonin for delayed sleep phase disorder: effects on subjective and objective sleep.

PubMed

Saxvig, Ingvild West; Wilhelmsen-Langeland, Ane; Pallesen, Ståle; Vedaa, Oystein; Nordhus, Inger Hilde; Bjorvatn, Bjørn

2014-02-01

Delayed sleep phase disorder (DSPD) is assumed to be common amongst adolescents, with potentially severe consequences in terms of school attendance and daytime functioning. The most common treatment approaches for DSPD are based on the administration of bright light and/or exogenous melatonin with or without adjunct behavioural instructions. Much is generally known about the chronobiological effects of light and melatonin. However, placebo-controlled treatment studies for DSPD are scarce, in particular in adolescents and young adults, and no standardized guidelines exist regarding treatment. The aim of the present study was, therefore, to investigate the short- and long-term effects on sleep of a DSPD treatment protocol involving administration of timed bright light and melatonin alongside gradual advancement of rise time in adolescents and young adults with DSPD in a randomized controlled trial and an open label follow-up study. A total of 40 adolescents and young adults (age range 16-25 years) diagnosed with DSPD were recruited to participate in the study. The participants were randomized to receive treatment for two weeks in one of four treatment conditions: dim light and placebo capsules, bright light and placebo capsules, dim light and melatonin capsules or bright light and melatonin capsules. In a follow-up study, participants were re-randomized to either receive treatment with the combination of bright light and melatonin or no treatment in an open label trial for approximately three months. Light and capsules were administered alongside gradual advancement of rise times. The main end points were sleep as assessed by sleep diaries and actigraphy recordings and circadian phase as assessed by salivary dim light melatonin onset (DLMO). During the two-week intervention, the timing of sleep and DLMO was advanced in all treatment conditions as seen by about 1 h advance of bed time, 2 h advance of rise time and 2 h advance of DLMO in all four groups. Sleep duration was reduced with approximately 1 h. At three-month follow-up, only the treatment group had maintained an advanced sleep phase. Sleep duration had returned to baseline levels in both groups. In conclusion, gradual advancement of rise time produced a phase advance during the two-week intervention, irrespective of treatment condition. Termination of treatment caused relapse into delayed sleep times, whereas long-term treatment with bright light and melatonin (three months) allowed maintenance of the advanced sleep phase.

Baryon-baryon interactions and spin-flavor symmetry from lattice quantum chromodynamics

NASA Astrophysics Data System (ADS)

Wagman, Michael L.; Winter, Frank; Chang, Emmanuel; Davoudi, Zohreh; Detmold, William; Orginos, Kostas; Savage, Martin J.; Shanahan, Phiala E.; Nplqcd Collaboration

2017-12-01

Lattice quantum chromodynamics is used to constrain the interactions of two octet baryons at the S U (3 ) flavor-symmetric point, with quark masses that are heavier than those in nature (equal to that of the physical strange quark mass and corresponding to a pion mass of ≈806 MeV ). Specifically, the S -wave scattering phase shifts of two-baryon systems at low energies are obtained with the application of Lüscher's formalism, mapping the energy eigenvalues of two interacting baryons in a finite volume to the two-particle scattering amplitudes below the relevant inelastic thresholds. The leading-order low-energy scattering parameters in the two-nucleon systems that were previously obtained at these quark masses are determined with a refined analysis, and the scattering parameters in two other channels containing the Σ and Ξ baryons are constrained for the first time. It is found that the values of these parameters are consistent with an approximate S U (6 ) spin-flavor symmetry in the nuclear and hypernuclear forces that is predicted in the large-Nc limit of QCD. The two distinct S U (6 )-invariant interactions between two baryons are constrained for the first time at this value of the quark masses, and their values indicate an approximate accidental S U (16 ) symmetry. The S U (3 ) irreps containing the N N (1S0), N N (3S1) and 1/√{2 } (Ξ0n +Ξ-p )(3S1) channels unambiguously exhibit a single bound state, while the irrep containing the Σ+p (3S1) channel exhibits a state that is consistent with either a bound state or a scattering state close to threshold. These results are in agreement with the previous conclusions of the NPLQCD collaboration regarding the existence of two-nucleon bound states at this value of the quark masses.

Semismooth Newton method for gradient constrained minimization problem

NASA Astrophysics Data System (ADS)

Anyyeva, Serbiniyaz; Kunisch, Karl

2012-08-01

In this paper we treat a gradient constrained minimization problem, particular case of which is the elasto-plastic torsion problem. In order to get the numerical approximation to the solution we have developed an algorithm in an infinite dimensional space framework using the concept of the generalized (Newton) differentiation. Regularization was done in order to approximate the problem with the unconstrained minimization problem and to make the pointwise maximum function Newton differentiable. Using semismooth Newton method, continuation method was developed in function space. For the numerical implementation the variational equations at Newton steps are discretized using finite elements method.

Freezing Transition Studies Through Constrained Cell Model Simulation

NASA Astrophysics Data System (ADS)

Nayhouse, Michael; Kwon, Joseph Sang-Il; Heng, Vincent R.; Amlani, Ankur M.; Orkoulas, G.

2014-10-01

In the present work, a simulation method based on cell models is used to deduce the fluid-solid transition of a system of particles that interact via a pair potential, , which is of the form with . The simulations are implemented under constant-pressure conditions on a generalized version of the constrained cell model. The constrained cell model is constructed by dividing the volume into Wigner-Seitz cells and confining each particle in a single cell. This model is a special case of a more general cell model which is formed by introducing an additional field variable that controls the number of particles per cell and, thus, the relative stability of the solid against the fluid phase. High field values force configurations with one particle per cell and thus favor the solid phase. Fluid-solid coexistence on the isotherm that corresponds to a reduced temperature of 2 is determined from constant-pressure simulations of the generalized cell model using tempering and histogram reweighting techniques. The entire fluid-solid phase boundary is determined through a thermodynamic integration technique based on histogram reweighting, using the previous coexistence point as a reference point. The vapor-liquid phase diagram is obtained from constant-pressure simulations of the unconstrained system using tempering and histogram reweighting. The phase diagram of the system is found to contain a stable critical point and a triple point. The phase diagram of the corresponding constrained cell model is also found to contain both a stable critical point and a triple point.

Phase equilibria and velocity discontinuities across the post-perovskite transition in (Mg,Fe)SiO3

NASA Astrophysics Data System (ADS)

Wentzcovitch, Renata; Shukla, Gaurav; Sarkar, Kanchan

The enigmatic nature of the region above the Earth's core-mantle boundary known as the D'' region, is often characterized by a significant contrast in seismic wave velocities. The perovskite (Pv) to post-perovskite (PPv) transition in bridgmanite ((Mg,Fe)SiO3 perovskite) is one of the keys for understanding this region. In this study, we present DFT + USC calculations of phase equilibria in bridgmanite across the post-perovskite transition. Thermal effects are addressed within the quasi-harmonic approximation. By computing high-pressure and high-temperatures elastic/acoustic properties of Pv and PPv phases, we also investigate seismic signature of the PPv-transition, believed to cause the D'' discontinuity. Aggregate elastic moduli and sound velocities for the Mg-end member are successfully compared with limited experimental data available. Predicted velocity discontinuities across the PPv transition are consistent with seismic observations in some places of the global D'' discontinuity. Our robust estimates of the phase boundary and elastic properties of the perovskite and post-perovskite phases will help to clarify the origin of lateral velocity variations in the deep lower mantle region and constrain its composition and thermal structure. 1This research was supported primarily by NSF Grants EAR 1348066 and DMR 1503084. Computations are performed at the Minnesota Su- percomputing Institute (MSI).

A photometric study of Enceladus

NASA Technical Reports Server (NTRS)

Verbiscer, Anne J.; Veverka, Joseph

1994-01-01

We have supplemented Voyager imaging data from Enceladus (limited to phase angles of 13 deg-43 deg) with recent Earth-based CCD observations to obtain an improved determination of the Bond albedo, to construct an albedo map of the satellite, and to constrain parameters in Hapke's (1986) photometric equation. A major result is evidence of regional variations in the physical properties of Enceladus' surface. The average global photometric properties are described by single scattering albedo omega(sub 0) average = 0.998 +/- 0.001, macroscopic roughness parameter theta average = 6 +/- 1 deg, and Henyey-Greenstein asymmetry parameter g = -0.399 +/- 0.005. The value of theta average is smaller than the 14 deg found by fitting whole-disk data, which include all terrains on Enceladus. The opposition surge amplitude B(sub 0) = 0.21 +/- 0.07 and regolith compaction parameter h = 0.014 +/- 0.02 are loosely constrained by the scarcity of and uncertainty in near-opposition observations. From the solar phase curve we determine the geometric albedo of Enceladus p(sub v) = 0.99 +/- 0.06 and phase integral q = 0.92 +/- 0.05, which corresponds to a spherical albedo A = p(sub v)q = 0.91 +/- 0.1. Since the spectrum of Enceladus is fairly flat, we can approximate the Bond albedo A(sub B) with the spherical albedo. Our photometric analysis is summarized in terms of an albedo map which generally reproduces the satellite's observed lightcurve and indicates that normal reflectances range from 0.9 on the leading hemisphere to 1.4 on the trailing one. The albedo map also revels an albedo variation of 15% from longitudes 170 deg to 200 deg, corresponding to the boundary between the leading and trailing hemispheres.

Phase transitions in Ising models on directed networks

NASA Astrophysics Data System (ADS)

Lipowski, Adam; Ferreira, António Luis; Lipowska, Dorota; Gontarek, Krzysztof

2015-11-01

We examine Ising models with heat-bath dynamics on directed networks. Our simulations show that Ising models on directed triangular and simple cubic lattices undergo a phase transition that most likely belongs to the Ising universality class. On the directed square lattice the model remains paramagnetic at any positive temperature as already reported in some previous studies. We also examine random directed graphs and show that contrary to undirected ones, percolation of directed bonds does not guarantee ferromagnetic ordering. Only above a certain threshold can a random directed graph support finite-temperature ferromagnetic ordering. Such behavior is found also for out-homogeneous random graphs, but in this case the analysis of magnetic and percolative properties can be done exactly. Directed random graphs also differ from undirected ones with respect to zero-temperature freezing. Only at low connectivity do they remain trapped in a disordered configuration. Above a certain threshold, however, the zero-temperature dynamics quickly drives the model toward a broken symmetry (magnetized) state. Only above this threshold, which is almost twice as large as the percolation threshold, do we expect the Ising model to have a positive critical temperature. With a very good accuracy, the behavior on directed random graphs is reproduced within a certain approximate scheme.

A stochastic Markov chain model to describe lung cancer growth and metastasis.

PubMed

Newton, Paul K; Mason, Jeremy; Bethel, Kelly; Bazhenova, Lyudmila A; Nieva, Jorge; Kuhn, Peter

2012-01-01

A stochastic Markov chain model for metastatic progression is developed for primary lung cancer based on a network construction of metastatic sites with dynamics modeled as an ensemble of random walkers on the network. We calculate a transition matrix, with entries (transition probabilities) interpreted as random variables, and use it to construct a circular bi-directional network of primary and metastatic locations based on postmortem tissue analysis of 3827 autopsies on untreated patients documenting all primary tumor locations and metastatic sites from this population. The resulting 50 potential metastatic sites are connected by directed edges with distributed weightings, where the site connections and weightings are obtained by calculating the entries of an ensemble of transition matrices so that the steady-state distribution obtained from the long-time limit of the Markov chain dynamical system corresponds to the ensemble metastatic distribution obtained from the autopsy data set. We condition our search for a transition matrix on an initial distribution of metastatic tumors obtained from the data set. Through an iterative numerical search procedure, we adjust the entries of a sequence of approximations until a transition matrix with the correct steady-state is found (up to a numerical threshold). Since this constrained linear optimization problem is underdetermined, we characterize the statistical variance of the ensemble of transition matrices calculated using the means and variances of their singular value distributions as a diagnostic tool. We interpret the ensemble averaged transition probabilities as (approximately) normally distributed random variables. The model allows us to simulate and quantify disease progression pathways and timescales of progression from the lung position to other sites and we highlight several key findings based on the model.

Abelian-Higgs phase of SU(2) QCD and glueball energy

NASA Astrophysics Data System (ADS)

Jia, Duojie

2008-07-01

It is shown that SU(2) QCD admits an dual Abelian-Higgs phase, with a Higgs vacuum of a type-II superconductor. This is done by using a connection decomposition for the gluon field and the random-direction approximation. Using a bag picture with soft wall, we presented a calculational procedure for the glueball energy based on the recent proof for wall-vortices [Nucl. Phys. B 741(2006)1]. Supported by National Natural Science Foundation of China (10547009) and Research Backbone Fostering Program of Knowledge and S&T Innovation Project of NWNU (KJCXGC 03-41)

Anomalies in the 1D Anderson model: Beyond the band-centre and band-edge cases

NASA Astrophysics Data System (ADS)

Tessieri, L.; Izrailev, F. M.

2018-03-01

We consider the one-dimensional Anderson model with weak disorder. Using the Hamiltonian map approach, we analyse the validity of the random-phase approximation for resonant values of the energy, E = 2 cos(πr) , with r a rational number. We expand the invariant measure of the phase variable in powers of the disorder strength and we show that, contrary to what happens at the centre and at the edges of the band, for all other resonant energies the leading term of the invariant measure is uniform. When higher-order terms are taken into account, a modulation of the invariant measure appears for all resonant values of the energy. This implies that, when the localisation length is computed within the second-order approximation in the disorder strength, the Thouless formula is valid everywhere except at the band centre and at the band edges.

Cosmicflows Constrained Local UniversE Simulations

NASA Astrophysics Data System (ADS)

Sorce, Jenny G.; Gottlöber, Stefan; Yepes, Gustavo; Hoffman, Yehuda; Courtois, Helene M.; Steinmetz, Matthias; Tully, R. Brent; Pomarède, Daniel; Carlesi, Edoardo

2016-01-01

This paper combines observational data sets and cosmological simulations to generate realistic numerical replicas of the nearby Universe. The latter are excellent laboratories for studies of the non-linear process of structure formation in our neighbourhood. With measurements of radial peculiar velocities in the local Universe (cosmicflows-2) and a newly developed technique, we produce Constrained Local UniversE Simulations (CLUES). To assess the quality of these constrained simulations, we compare them with random simulations as well as with local observations. The cosmic variance, defined as the mean one-sigma scatter of cell-to-cell comparison between two fields, is significantly smaller for the constrained simulations than for the random simulations. Within the inner part of the box where most of the constraints are, the scatter is smaller by a factor of 2 to 3 on a 5 h-1 Mpc scale with respect to that found for random simulations. This one-sigma scatter obtained when comparing the simulated and the observation-reconstructed velocity fields is only 104 ± 4 km s-1, I.e. the linear theory threshold. These two results demonstrate that these simulations are in agreement with each other and with the observations of our neighbourhood. For the first time, simulations constrained with observational radial peculiar velocities resemble the local Universe up to a distance of 150 h-1 Mpc on a scale of a few tens of megaparsecs. When focusing on the inner part of the box, the resemblance with our cosmic neighbourhood extends to a few megaparsecs (<5 h-1 Mpc). The simulations provide a proper large-scale environment for studies of the formation of nearby objects.

Phase-field model of domain structures in ferroelectric thin films

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

Li, Y. L.; Hu, S. Y.; Liu, Z. K.

A phase-field model for predicting the coherent microstructure evolution in constrained thin films is developed. It employs an analytical elastic solution derived for a constrained film with arbitrary eigenstrain distributions. The domain structure evolution during a cubic{r_arrow}tetragonal proper ferroelectric phase transition is studied. It is shown that the model is able to simultaneously predict the effects of substrate constraint and temperature on the volume fractions of domain variants, domain-wall orientations, domain shapes, and their temporal evolution. {copyright} 2001 American Institute of Physics.

Constrained Low-Interference Relay Node Deployment for Underwater Acoustic Wireless Sensor Networks

NASA Astrophysics Data System (ADS)

Li, Deying; Li, Zheng; Ma, Wenkai; Chen, Wenping

An Underwater Acoustic Wireless Sensor Network (UA-WSN) consists of many resource-constrained Underwater Sensor Nodes (USNs), which are deployed to perform collaborative monitoring tasks over a given region. One way to preserve network connectivity while guaranteing other network QoS is to deploy some Relay Nodes (RNs) in the networks, in which RNs' function is more powerful than USNs and their cost is more expensive. This paper addresses Constrained Low-interference Relay Node Deployment (C-LRND) problem for 3-D UA-WSNs in which the RNs are placed at a subset of candidate locations to ensure connectivity between the USNs, under both the number of RNs deployed and the value of total incremental interference constraints. We first prove that it is NP-hard, then present a general approximation algorithm framework and get two polynomial time O(1)-approximation algorithms.

On optimal strategies in event-constrained differential games

NASA Technical Reports Server (NTRS)

Heymann, M.; Rajan, N.; Ardema, M.

1985-01-01

Combat games are formulated as zero-sum differential games with unilateral event constraints. An interior penalty function approach is employed to approximate optimal strategies for the players. The method is very attractive computationally and possesses suitable approximation and convergence properties.

Polarized Radiative Transfer of a Cirrus Cloud Consisting of Randomly Oriented Hexagonal Ice Crystals: The 3 x 3 Approximation for Non-Spherical Particles

NASA Technical Reports Server (NTRS)

Stamnes, S.; Ou, S. C.; Lin, Z.; Takano, Y.; Tsay, S. C.; Liou, K.N.; Stamnes, K.

2016-01-01

The reflection and transmission of polarized light for a cirrus cloud consisting of randomly oriented hexagonal columns were calculated by two very different vector radiative transfer models. The forward peak of the phase function for the ensemble-averaged ice crystals has a value of order 6 x 10(exp 3) so a truncation procedure was used to help produce numerically efficient yet accurate results. One of these models, the Vectorized Line-by-Line Equivalent model (VLBLE), is based on the doubling- adding principle, while the other is based on a vector discrete ordinates method (VDISORT). A comparison shows that the two models provide very close although not entirely identical results, which can be explained by differences in treatment of single scattering and the representation of the scattering phase matrix. The relative differences in the reflected I and Q Stokes parameters are within 0.5 for I and within 1.5 for Q for all viewing angles. In 1971 Hansen showed that for scattering by spherical particles the 3 x 3 approximation is sufficient to produce accurate results for the reflected radiance I and the degree of polarization (DOP), and he conjectured that these results would hold also for non-spherical particles. Simulations were conducted to test Hansen's conjecture for the cirrus cloud particles considered in this study. It was found that the 3 x 3 approximation also gives accurate results for the transmitted light, and for Q and U in addition to I and DOP. For these non-spherical ice particles the 3 x 3 approximation leads to an absolute error 2 x 10(exp -6) for the reflected and transmitted I, Q and U Stokes parameters. Hence, it appears to be an excellent approximation, which significantly reduces the computational complexity and burden required for multiple scattering calculations.

Polarized radiative transfer of a cirrus cloud consisting of randomly oriented hexagonal ice crystals: The 3×3 approximation for non-spherical particles

NASA Astrophysics Data System (ADS)

Stamnes, S.; Ou, S. C.; Lin, Z.; Takano, Y.; Tsay, S. C.; Liou, K. N.; Stamnes, K.

2017-05-01

The reflection and transmission of polarized light for a cirrus cloud consisting of randomly oriented hexagonal columns were calculated by two very different vector radiative transfer models. The forward peak of the phase function for the ensemble-averaged ice crystals has a value of order 6 ×103 so a truncation procedure was used to help produce numerically efficient yet accurate results. One of these models, the Vectorized Line-by-Line Equivalent model (VLBLE), is based on the doubling-adding principle, while the other is based on a vector discrete ordinates method (VDISORT). A comparison shows that the two models provide very close although not entirely identical results, which can be explained by differences in treatment of single scattering and the representation of the scattering phase matrix. The relative differences in the reflected I and Q Stokes parameters are within 0.5% for I and within 1.5% for Q for all viewing angles. In 1971 Hansen [1] showed that for scattering by spherical particles the 3×3 approximation is sufficient to produce accurate results for the reflected radiance I and the degree of polarization (DOP), and he conjectured that these results would hold also for non-spherical particles. Simulations were conducted to test Hansen's conjecture for the cirrus cloud particles considered in this study. It was found that the 3×3 approximation also gives accurate results for the transmitted light, and for Q and U in addition to I and DOP. For these non-spherical ice particles the 3×3 approximation leads to an absolute error < 2 ×10-6 for the reflected and transmitted I, Q and U Stokes parameters. Hence, it appears to be an excellent approximation, which significantly reduces the computational complexity and burden required for multiple scattering calculations.

Statistical mechanics of light elements at high pressure. VI - Liquid-state calculations with Thomas-Fermi-Dirac theory

NASA Technical Reports Server (NTRS)

Macfarlane, J. J.

1984-01-01

A model free energy is developed for hydrogen-helium mixtures based on solid-state Thomas-Fermi-Dirac calculations at pressures relevant to the interiors of giant planets. Using a model potential similar to that for a two-component plasma, effective charges for the nuclei (which are in general smaller than the actual charges because of screening effects) are parameterized, being constrained by calculations at a number of densities, compositions, and lattice structures. These model potentials are then used to compute the equilibrium properties of H-He fluids using a charged hard-sphere model. The results find critical temperatures of about 0 K, 500 K, and 1500 K, for pressures of 10, 100, and 1000 Mbar, respectively. These phase separation temperatures are considerably lower (approximately 6,000-10,000 K) than those found from calculations using free electron perturbation theory, and suggest that H-He solutions should be stable against phase separation in the metallic zones of Jupiter and Saturn.

Warm Dense Matter Demonstrating Non-Drude Conductivity from Observations of Nonlinear Plasmon Damping

NASA Astrophysics Data System (ADS)

Witte, B. B. L.; Fletcher, L. B.; Galtier, E.; Gamboa, E.; Lee, H. J.; Zastrau, U.; Redmer, R.; Glenzer, S. H.; Sperling, P.

2017-06-01

We present simulations using finite-temperature density-functional-theory molecular dynamics to calculate the dynamic electrical conductivity in warm dense aluminum. The comparison between exchange-correlation functionals in the Perdew-Burke-Enzerhof and Heyd-Scuseria-Enzerhof (HSE) approximation indicates evident differences in the density of states and the dc conductivity. The HSE calculations show excellent agreement with experimental Linac Coherent Light Source x-ray plasmon scattering spectra revealing plasmon damping below the widely used random phase approximation. These findings demonstrate non-Drude-like behavior of the dynamic conductivity that needs to be taken into account to determine the optical properties of warm dense matter.

Ionization energies and electron affinities from a random-phase-approximation many-body Green's-function method including exchange interactions

NASA Astrophysics Data System (ADS)

Heßelmann, Andreas

2017-06-01

A many-body Green's-function method employing an infinite order summation of ring and exchange-ring contributions to the self-energy is presented. The individual correlation and relaxation contributions to the quasiparticle energies are calculated using an iterative scheme which utilizes density fitting of the particle-hole, particle-particle and hole-hole densities. It is shown that the ionization energies and electron affinities of this approach agree better with highly accurate coupled-cluster singles and doubles with perturbative triples energy difference results than those obtained with second-order Green's-function approaches. An analysis of the correlation and relaxation terms of the self-energy for the direct- and exchange-random-phase-approximation (RPA) Green's-function methods shows that the inclusion of exchange interactions leads to a reduction of the two contributions in magnitude. These differences, however, strongly cancel each other when summing the individual terms to the quasiparticle energies. Due to this, the direct- and exchange-RPA methods perform similarly for the description of ionization energies (IPs) and electron affinities (EAs). The coupled-cluster reference IPs and EAs, if corrected to the adiabatic energy differences between the neutral and charged molecules, were shown to be in very good agreement with experimental measurements.

Assessing the performance of the random phase approximation for exchange and superexchange coupling constants in magnetic crystalline solids

NASA Astrophysics Data System (ADS)

Olsen, Thomas

2017-09-01

The random phase approximation (RPA) for total energies has previously been shown to provide a qualitatively correct description of static correlation in molecular systems, where density functional theory (DFT) with local functionals are bound to fail. This immediately poses the question of whether the RPA is also able to capture the correct physics of strongly correlated solids such as Mott insulators. Due to strong electron localization, magnetic interactions in such systems are dominated by superexchange, which in the simplest picture can be regarded as the analog of static correlation for molecules. In this paper, we investigate the performance of the RPA for evaluating both superexchange and direct exchange interactions in the magnetic solids NiO, MnO, Na3Cu2SbO6,Sr2CuO3,Sr2CuTeO6 , and a monolayer of CrI3, which were chosen to represent a broad variety of magnetic interactions. It is found that the RPA can accurately correct the large errors introduced by Hartree-Fock, independent of the input orbitals used for the perturbative expansion. However, in most cases, accuracies similar to RPA can be obtained with DFT+U, which is significantly simpler from a computational point of view.

Systematic Onset of Periodic Patterns in Random Disk Packings

NASA Astrophysics Data System (ADS)

Topic, Nikola; Pöschel, Thorsten; Gallas, Jason A. C.

2018-04-01

We report evidence of a surprising systematic onset of periodic patterns in very tall piles of disks deposited randomly between rigid walls. Independently of the pile width, periodic structures are always observed in monodisperse deposits containing up to 1 07 disks. The probability density function of the lengths of disordered transient phases that precede the onset of periodicity displays an approximately exponential tail. These disordered transients may become very large when the channel width grows without bound. For narrow channels, the probability density of finding periodic patterns of a given period displays a series of discrete peaks, which, however, are washed out completely when the channel width grows.

Role of phase synchronisation in turbulence

NASA Astrophysics Data System (ADS)

Moradi, Sara; Teaca, Bogdan; Anderson, Johan

2017-11-01

The role of the phase dynamics in turbulence is investigated. As a demonstration of the importance of the phase dynamics, a simplified system is used, namely the one-dimensional Burgers equation, which is evolved numerically. The system is forced via a known external force, with two components that are added into the evolution equations of the amplitudes and the phase of the Fourier modes, separately. In this way, we are able to control the impact of the force on the dynamics of the phases. In the absence of the direct forcing in the phase equation, it is observed that the phases are not stochastic as assumed in the Random Phase Approximation (RPA) models, and in contrast, the non-linear couplings result in intermittent locking of the phases to ± π/2. The impact of the force, applied purely on the phases, is to increase the occurrence of the phase locking events in which the phases of the modes in a wide k range are now locked to ± π/2, leading to a change in the dynamics of both phases and amplitudes, with a significant localization of the real space flow structures.

Total knee replacement with natural rollback.

PubMed

Wachowski, Martin Michael; Walde, Tim Alexander; Balcarek, Peter; Schüttrumpf, Jan Philipp; Frosch, Stephan; Stauffenberg, Caspar; Frosch, Karl-Heinz; Fiedler, Christoph; Fanghänel, Jochen; Kubein-Meesenburg, Dietmar; Nägerl, Hans

2012-03-20

A novel class of total knee replacement (AEQUOS G1) is introduced which features a unique design of the articular surfaces. Based on the anatomy of the human knee and differing from all other prostheses, the lateral tibial "plateau" is convexly curved and the lateral femoral condyle is posteriorly shifted in relation to the medial femoral condyle. Under compressive forces the configuration of the articular surfaces of human knees constrains the relative motion of femur and tibia in flexion/extension. This constrained motion is equivalent to that of a four-bar linkage, the virtual 4 pivots of which are given by the centres of curvature of the articulating surfaces. The dimensions of the four-bar linkage were optimized to the effect that constrained motion of the total knee replacement (TKR) follows the flexional motion of the human knee in close approximation, particularly during gait. In pilot studies lateral X-ray pictures have demonstrated that AEQUOS G1 can feature the natural rollback in vivo. Rollback relieves the load of the patello-femoral joint and minimizes retropatellar pressure. This mechanism should reduce the prevalence of anterior knee pain. The articulating surfaces roll predominantly in the stance phase. Consequently sliding friction is replaced by the lesser rolling friction under load. Producing rollback should minimize material wear due to friction and maximize the lifetime of the prosthesis. To definitely confirm these theses one has to wait for the long term results. Copyright © 2011 Elsevier GmbH. All rights reserved.

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.

Sea-level records from the U.S. mid-Atlantic constrain Laurentide Ice Sheet extent during Marine Isotope Stage 3

PubMed Central

Pico, T; Creveling, J. R.; Mitrovica, J. X.

2017-01-01

The U.S. mid-Atlantic sea-level record is sensitive to the history of the Laurentide Ice Sheet as the coastline lies along the ice sheet's peripheral bulge. However, paleo sea-level markers on the present-day shoreline of Virginia and North Carolina dated to Marine Isotope Stage (MIS) 3, from 50 to 35 ka, are surprisingly high for this glacial interval, and remain unexplained by previous models of ice age adjustment or other local (for example, tectonic) effects. Here, we reconcile this sea-level record using a revised model of glacial isostatic adjustment characterized by a peak global mean sea level during MIS 3 of approximately −40 m, and far less ice volume within the eastern sector of the Laurentide Ice Sheet than traditional reconstructions for this interval. We conclude that the Laurentide Ice Sheet experienced a phase of very rapid growth in the 15 kyr leading into the Last Glacial Maximum, thus highlighting the potential of mid-field sea-level records to constrain areal extent of ice cover during glacial intervals with sparse geological observables. PMID:28555637

Why phase errors affect the electron function more than amplitude errors.

PubMed

Lattman, Eaton; DeRosier, David

2008-03-01

If Fexp(ialpha) are the set of structure factors for a structure f, the amplitudes can be converted to those of an uncorrelated structure g (amplitude swapping) by multiplying each F by the positive number G/F. Correspondingly, the image f is convoluted with k, the Fourier transform of G/F; k has a large peak at the origin, so that f * k approximately f. For swapped phases, the image f is convoluted with l, the Fourier transform of exp(iDeltaalpha), where Deltaalpha, the phase difference between F and G, is a random variable; l does not have a large peak at the origin, so that f * l does not resemble f. The paper provides quantitative descriptions of these arguments.

Chromatic refraction with global ozone monitoring by occultation of stars. I. Description and scintillation correction.

PubMed

Dalaudier, F; Kan, V; Gurvich, A S

2001-02-20

We describe refractive and chromatic effects, both regular and random, that occur during star occultations by the Earth's atmosphere. The scintillation that results from random density fluctuations, as well as the consequences of regular chromatic refraction, is qualitatively described. The resultant chromatic scintillation will produce random features on the Global Ozone Monitoring by Occultation of Stars (GOMOS) spectrometer, with an amplitude comparable with that of some of the real absorbing features that result from atmospheric constituents. A correction method that is based on the use of fast photometer signals is described, and its efficiency is discussed. We give a qualitative (although accurate) description of the phenomena, including numerical values when needed. Geometrical optics and the phase-screen approximation are used to keep the description simple.

Baryon-baryon interactions and spin-flavor symmetry from lattice quantum chromodynamics

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

Wagman, Michael L.; Winter, Frank; Chang, Emmanuel

Lattice quantum chromodynamics is used to constrain the interactions of two octet baryons at the SU(3) flavor-symmetric point, with quark masses that are heavier than those in nature (equal to that of the physical strange quark mass and corresponding to a pion mass ofmore » $$\\approx 806~\\tt{MeV}$$). Specifically, the S-wave scattering phase shifts of two-baryon systems at low energies are obtained with the application of L\\"uscher's formalism, mapping the energy eigenvalues of two interacting baryons in a finite volume to the two-particle scattering amplitudes below the relevant inelastic thresholds. The values of the leading-order low-energy scattering parameters in the irreducible representations of SU(3) are consistent with an approximate SU(6) spin-flavor symmetry in the nuclear and hypernuclear forces that is predicted in the large-$$N_c$$ limit of QCD. The two distinct SU(6)-invariant interactions between two baryons are constrained at this value of the quark masses, and their values indicate an approximate accidental SU(16) symmetry. The SU(3) irreducible representations containing the $$NN~({^1}S_0)$$, $$NN~({^3}S_1)$$ and $$\\frac{1}{\\sqrt{2}}(\\Xi^0n+\\Xi^-p)~({^3}S_1)$$ channels unambiguously exhibit a single bound state, while the irreducible representation containing the $$\\Sigma^+ p~({^3}S_1)$$ channel exhibits a state that is consistent with either a bound state or a scattering state close to threshold. These results are in agreement with the previous conclusions of the NPLQCD collaboration regarding the existence of two-nucleon bound states at this value of the quark masses.« less

Baryon-baryon interactions and spin-flavor symmetry from lattice quantum chromodynamics

DOE PAGES

Wagman, Michael L.; Winter, Frank; Chang, Emmanuel; ...

2017-12-28

Lattice quantum chromodynamics is used to constrain the interactions of two octet baryons at the SU(3) flavor-symmetric point, with quark masses that are heavier than those in nature (equal to that of the physical strange quark mass and corresponding to a pion mass ofmore » $$\\approx 806~\\tt{MeV}$$). Specifically, the S-wave scattering phase shifts of two-baryon systems at low energies are obtained with the application of L\\"uscher's formalism, mapping the energy eigenvalues of two interacting baryons in a finite volume to the two-particle scattering amplitudes below the relevant inelastic thresholds. The values of the leading-order low-energy scattering parameters in the irreducible representations of SU(3) are consistent with an approximate SU(6) spin-flavor symmetry in the nuclear and hypernuclear forces that is predicted in the large-$$N_c$$ limit of QCD. The two distinct SU(6)-invariant interactions between two baryons are constrained at this value of the quark masses, and their values indicate an approximate accidental SU(16) symmetry. The SU(3) irreducible representations containing the $$NN~({^1}S_0)$$, $$NN~({^3}S_1)$$ and $$\\frac{1}{\\sqrt{2}}(\\Xi^0n+\\Xi^-p)~({^3}S_1)$$ channels unambiguously exhibit a single bound state, while the irreducible representation containing the $$\\Sigma^+ p~({^3}S_1)$$ channel exhibits a state that is consistent with either a bound state or a scattering state close to threshold. These results are in agreement with the previous conclusions of the NPLQCD collaboration regarding the existence of two-nucleon bound states at this value of the quark masses.« less

An approximation function for frequency constrained structural optimization

NASA Technical Reports Server (NTRS)

Canfield, R. A.

1989-01-01

The purpose is to examine a function for approximating natural frequency constraints during structural optimization. The nonlinearity of frequencies has posed a barrier to constructing approximations for frequency constraints of high enough quality to facilitate efficient solutions. A new function to represent frequency constraints, called the Rayleigh Quotient Approximation (RQA), is presented. Its ability to represent the actual frequency constraint results in stable convergence with effectively no move limits. The objective of the optimization problem is to minimize structural weight subject to some minimum (or maximum) allowable frequency and perhaps subject to other constraints such as stress, displacement, and gage size, as well. A reason for constraining natural frequencies during design might be to avoid potential resonant frequencies due to machinery or actuators on the structure. Another reason might be to satisy requirements of an aircraft or spacecraft's control law. Whatever the structure supports may be sensitive to a frequency band that must be avoided. Any of these situations or others may require the designer to insure the satisfaction of frequency constraints. A further motivation for considering accurate approximations of natural frequencies is that they are fundamental to dynamic response constraints.

Accurate and Efficient Parallel Implementation of an Effective Linear-Scaling Direct Random Phase Approximation Method.

PubMed

Graf, Daniel; Beuerle, Matthias; Schurkus, Henry F; Luenser, Arne; Savasci, Gökcen; Ochsenfeld, Christian

2018-05-08

An efficient algorithm for calculating the random phase approximation (RPA) correlation energy is presented that is as accurate as the canonical molecular orbital resolution-of-the-identity RPA (RI-RPA) with the important advantage of an effective linear-scaling behavior (instead of quartic) for large systems due to a formulation in the local atomic orbital space. The high accuracy is achieved by utilizing optimized minimax integration schemes and the local Coulomb metric attenuated by the complementary error function for the RI approximation. The memory bottleneck of former atomic orbital (AO)-RI-RPA implementations ( Schurkus, H. F.; Ochsenfeld, C. J. Chem. Phys. 2016 , 144 , 031101 and Luenser, A.; Schurkus, H. F.; Ochsenfeld, C. J. Chem. Theory Comput. 2017 , 13 , 1647 - 1655 ) is addressed by precontraction of the large 3-center integral matrix with the Cholesky factors of the ground state density reducing the memory requirements of that matrix by a factor of [Formula: see text]. Furthermore, we present a parallel implementation of our method, which not only leads to faster RPA correlation energy calculations but also to a scalable decrease in memory requirements, opening the door for investigations of large molecules even on small- to medium-sized computing clusters. Although it is known that AO methods are highly efficient for extended systems, where sparsity allows for reaching the linear-scaling regime, we show that our work also extends the applicability when considering highly delocalized systems for which no linear scaling can be achieved. As an example, the interlayer distance of two covalent organic framework pore fragments (comprising 384 atoms in total) is analyzed.

Constrained Chebyshev approximations to some elementary functions suitable for evaluation with floating point arithmetic

NASA Technical Reports Server (NTRS)

Manos, P.; Turner, L. R.

1972-01-01

Approximations which can be evaluated with precision using floating-point arithmetic are presented. The particular set of approximations thus far developed are for the function TAN and the functions of USASI FORTRAN excepting SQRT and EXPONENTIATION. These approximations are, furthermore, specialized to particular forms which are especially suited to a computer with a small memory, in that all of the approximations can share one general purpose subroutine for the evaluation of a polynomial in the square of the working argument.

Modelling the light-scattering properties of a planetary-regolith analog sample

NASA Astrophysics Data System (ADS)

Vaisanen, T.; Markkanen, J.; Hadamcik, E.; Levasseur-Regourd, A. C.; Lasue, J.; Blum, J.; Penttila, A.; Muinonen, K.

2017-12-01

Solving the scattering properties of asteroid surfaces can be made cheaper, faster, and more accurate with reliable physics-based electromagnetic scattering programs for large and dense random media. Existing exact methods fail to produce solutions for such large systems and it is essential to develop approximate methods. Radiative transfer (RT) is an approximate method which works for sparse random media such as atmospheres fails when applied to dense media. In order to make the method applicable to dense media, we have developed a radiative-transfer coherent-backscattering method (RT-CB) with incoherent interactions. To show the current progress with the RT-CB, we have modeled a planetary-regolith analog sample. The analog sample is a low-density agglomerate produced by random ballistic deposition of almost equisized silicate spheres studied using the PROGRA2-surf experiment. The scattering properties were then computed with the RT-CB assuming that the silicate spheres were equisized and that there were a Gaussian particle size distribution. The results were then compared to the measured data and the intensity plot is shown below. The phase functions are normalized to unity at the 40-deg phase angle. The tentative intensity modeling shows good match with the measured data, whereas the polarization modeling shows discrepancies. In summary, the current RT-CB modeling is promising, but more work needs to be carried out, in particular, for modeling the polarization. Acknowledgments. Research supported by European Research Council with Advanced Grant No. 320773 SAEMPL, Scattering and Absorption of ElectroMagnetic waves in ParticuLate media. Computational resources provided by CSC - IT Centre for Science Ltd, Finland.

A statistical model of false negative and false positive detection of phase singularities.

PubMed

Jacquemet, Vincent

2017-10-01

The complexity of cardiac fibrillation dynamics can be assessed by analyzing the distribution of phase singularities (PSs) observed using mapping systems. Interelectrode distance, however, limits the accuracy of PS detection. To investigate in a theoretical framework the PS false negative and false positive rates in relation to the characteristics of the mapping system and fibrillation dynamics, we propose a statistical model of phase maps with controllable number and locations of PSs. In this model, phase maps are generated from randomly distributed PSs with physiologically-plausible directions of rotation. Noise and distortion of the phase are added. PSs are detected using topological charge contour integrals on regular grids of varying resolutions. Over 100 × 10 6 realizations of the random field process are used to estimate average false negative and false positive rates using a Monte-Carlo approach. The false detection rates are shown to depend on the average distance between neighboring PSs expressed in units of interelectrode distance, following approximately a power law with exponents in the range of 1.14 to 2 for false negatives and around 2.8 for false positives. In the presence of noise or distortion of phase, false detection rates at high resolution tend to a non-zero noise-dependent lower bound. This model provides an easy-to-implement tool for benchmarking PS detection algorithms over a broad range of configurations with multiple PSs.

Child-Care Provider Survey Reveals Cost Constrains Quality. Research Brief. Volume 96, Number 5

ERIC Educational Resources Information Center

Public Policy Forum, 2008

2008-01-01

A survey of 414 child care providers in southeastern Wisconsin reveals that cost as well as low wages and lack of benefits for workers can constrain providers from pursuing improvements to child-care quality. Of survey respondents, approximately half of whom are home-based and half center-based, 13% have at least three of five structural factors…

On the shape of martian dust and water ice aerosols

NASA Astrophysics Data System (ADS)

Pitman, K. M.; Wolff, M. J.; Clancy, R. T.; Clayton, G. C.

2000-10-01

Researchers have often calculated radiative properties of Martian aerosols using either Mie theory for homogeneous spheres or semi-empirical theories. Given that these atmospheric particles are randomly oriented, this approach seems fairly reasonable. However, the idea that randomly oriented nonspherical particles have scattering properties equivalent to even a select subset of spheres is demonstratably false} (Bohren and Huffman 1983; Bohren and Koh 1985, Appl. Optics, 24, 1023). Fortunately, recent computational developments now enable us to directly compute scattering properties for nonspherical particles. We have combined a numerical approach for axisymmetric particle shapes, i.e., cylinders, disks, spheroids (Waterman's T-Matrix approach as improved by Mishchenko and collaborators; cf., Mishchenko et al. 1997, JGR, 102, D14, 16,831), with a multiple-scattering radiative transfer algorithm to constrain the shape of water ice and dust aerosols. We utilize a two-stage iterative process. First, we empirically derive a scattering phase function for each aerosol component (starting with some ``guess'') from radiative transfer models of MGS Thermal Emission Spectrometer Emission Phase Function (EPF) sequences (for details on this step, see Clancy et al., DPS 2000). Next, we perform a series of scattering calculations, adjusting our parameters to arrive at a ``best-fit'' theoretical phase function. In this presentation, we provide details on the second step in our analysis, including the derived phase functions (for several characteristic EPF sequences) as well as the particle properties of the best-fit theoretical models. We provide a sensitivity analysis for the EPF model-data comparisons in terms of perturbations in the particle properties (i.e., range of axial ratios, sizes, refractive indices, etc). This work is supported through NASA grant NAGS-9820 (MJW) and JPL contract no. 961471 (RTC).

Structural and parameteric uncertainty quantification in cloud microphysics parameterization schemes

NASA Astrophysics Data System (ADS)

van Lier-Walqui, M.; Morrison, H.; Kumjian, M. R.; Prat, O. P.; Martinkus, C.

2017-12-01

Atmospheric model parameterization schemes employ approximations to represent the effects of unresolved processes. These approximations are a source of error in forecasts, caused in part by considerable uncertainty about the optimal value of parameters within each scheme -- parameteric uncertainty. Furthermore, there is uncertainty regarding the best choice of the overarching structure of the parameterization scheme -- structrual uncertainty. Parameter estimation can constrain the first, but may struggle with the second because structural choices are typically discrete. We address this problem in the context of cloud microphysics parameterization schemes by creating a flexible framework wherein structural and parametric uncertainties can be simultaneously constrained. Our scheme makes no assuptions about drop size distribution shape or the functional form of parametrized process rate terms. Instead, these uncertainties are constrained by observations using a Markov Chain Monte Carlo sampler within a Bayesian inference framework. Our scheme, the Bayesian Observationally-constrained Statistical-physical Scheme (BOSS), has flexibility to predict various sets of prognostic drop size distribution moments as well as varying complexity of process rate formulations. We compare idealized probabilistic forecasts from versions of BOSS with varying levels of structural complexity. This work has applications in ensemble forecasts with model physics uncertainty, data assimilation, and cloud microphysics process studies.

Constraining metasomatism in the oceanic lithosphere

NASA Astrophysics Data System (ADS)

Plümper, Oliver; Beinlich, Andreas; Austrheim, Hâkon

2010-05-01

Serpentinization is the most prominent fluid-mediated alteration process in the oceanic lithosphere, but the physical and chemical conditions of this process are difficult to constrain. It is crucial to establish a framework of mineralogical markers that constrain (a) whether the reaction proceeded without substantial addition of elements from the fluid (isochemical), (b) the reaction is isovolumetric generating no internal stresses and (c) if the overall system was closed with respect to certain elements. We have examined ophiolitic metaperidotites from Norway, combining microtextural and microchemical observations to gain further insight into the complex fluid-mediated phase transformations occurring during the alteration of the oceanic lithosphere. Serpentinization can be isovolumetric, resulting in pseudomorphic mineral replacement reactions (e.g. Viti et al., 2005), or produce an observable volume increase (e.g. Shervais et al., 2005). In the case of olivine, the ideal reaction is commonly written as forsteritic olivine reacting to lizardite and brucite, i.e. 2 Mg2SiO4 + 3 H2O - Mg3[Si2O5](OH)4 + Mg(OH)2, implying a total volume increase of approximately 20%. However, if Mg was lost from the system, the reaction can also be written as 2 Mg2SiO4 + 2 H+ + H2O - Mg3[Si2O5](OH)4 + Mg2+. This suggests that the solid volume is preserved and no internal stresses are generated. Therefore, the presence of brucite could be used to constrain volumetric changes during serpentinization. However, the small size and sparse distribution of brucite makes it difficult to find in serpentinized metaperidotites. Here we show that micro-Raman spectroscopy is a reliable tool to identify even nanometer-sized brucite in serpentine. In addition, we also used the electron backscatter diffraction (EBSD) technique to identify volume increase illustrated by the progressive change of olivine orientation at the tip of a crack induced by serpentinization. Furthermore, it is important to constrain the degree of system openness and the transport of elements through the fluid phase. Observations from fractures in metapyroxenite layers from the Røragen-Feragen ultramafic complex provide closer insight into the late stage alteration of the oceanic lithosphere. Detailed electron microscopy reveals that these fractures are filled with polyhedral serpentine, indicating late stage open system conditions (Andreani et al., 2007). However, microtextures and reactive transport modeling suggest that Ca from clinopyroxene dissolution in the metapyroxenite layers was instantaneously precipitated as andradite within the fracture, without major Ca transport. Hence, although the overall system can be regarded as open for water, Ca exhibits closed system behavior on the decimeter scale within the metapyroxenite layers. Our observations show that mineralogical and microtextural markers, such as characteristic phases, their spatial relationship and stress generation associated with replacement, provide an insight into the metasomatic conditions of oceanic lithosphere alteration. References: Andreani et al. (2007), Geochem. Geophys. Geosyst., 8 (2). Shervais et al. (2005), Int. Geol. Rev., 47, 1-23. Viti et al. (2005) Min. Mag., 69 (2), 491-507.

Time and Memory Efficient Online Piecewise Linear Approximation of Sensor Signals.

PubMed

Grützmacher, Florian; Beichler, Benjamin; Hein, Albert; Kirste, Thomas; Haubelt, Christian

2018-05-23

Piecewise linear approximation of sensor signals is a well-known technique in the fields of Data Mining and Activity Recognition. In this context, several algorithms have been developed, some of them with the purpose to be performed on resource constrained microcontroller architectures of wireless sensor nodes. While microcontrollers are usually constrained in computational power and memory resources, all state-of-the-art piecewise linear approximation techniques either need to buffer sensor data or have an execution time depending on the segment’s length. In the paper at hand, we propose a novel piecewise linear approximation algorithm, with a constant computational complexity as well as a constant memory complexity. Our proposed algorithm’s worst-case execution time is one to three orders of magnitude smaller and its average execution time is three to seventy times smaller compared to the state-of-the-art Piecewise Linear Approximation (PLA) algorithms in our experiments. In our evaluations, we show that our algorithm is time and memory efficient without sacrificing the approximation quality compared to other state-of-the-art piecewise linear approximation techniques, while providing a maximum error guarantee per segment, a small parameter space of only one parameter, and a maximum latency of one sample period plus its worst-case execution time.

Random vibration analysis of space flight hardware using NASTRAN

NASA Technical Reports Server (NTRS)

Thampi, S. K.; Vidyasagar, S. N.

1990-01-01

During liftoff and ascent flight phases, the Space Transportation System (STS) and payloads are exposed to the random acoustic environment produced by engine exhaust plumes and aerodynamic disturbances. The analysis of payloads for randomly fluctuating loads is usually carried out using the Miles' relationship. This approximation technique computes an equivalent load factor as a function of the natural frequency of the structure, the power spectral density of the excitation, and the magnification factor at resonance. Due to the assumptions inherent in Miles' equation, random load factors are often over-estimated by this approach. In such cases, the estimates can be refined using alternate techniques such as time domain simulations or frequency domain spectral analysis. Described here is the use of NASTRAN to compute more realistic random load factors through spectral analysis. The procedure is illustrated using Spacelab Life Sciences (SLS-1) payloads and certain unique features of this problem are described. The solutions are compared with Miles' results in order to establish trends at over or under prediction.

Tunneling effects in electromagnetic wave scattering by nonspherical particles: A comparison of the Debye series and physical-geometric optics approximations

NASA Astrophysics Data System (ADS)

Bi, Lei; Yang, Ping

2016-07-01

The accuracy of the physical-geometric optics (PG-O) approximation is examined for the simulation of electromagnetic scattering by nonspherical dielectric particles. This study seeks a better understanding of the tunneling effect on the phase matrix by employing the invariant imbedding method to rigorously compute the zeroth-order Debye series, from which the tunneling efficiency and the phase matrix corresponding to the diffraction and external reflection are obtained. The tunneling efficiency is shown to be a factor quantifying the relative importance of the tunneling effect over the Fraunhofer diffraction near the forward scattering direction. Due to the tunneling effect, different geometries with the same projected cross section might have different diffraction patterns, which are traditionally assumed to be identical according to the Babinet principle. For particles with a fixed orientation, the PG-O approximation yields the external reflection pattern with reasonable accuracy, but ordinarily fails to predict the locations of peaks and minima in the diffraction pattern. The larger the tunneling efficiency, the worse the PG-O accuracy is at scattering angles less than 90°. If the particles are assumed to be randomly oriented, the PG-O approximation yields the phase matrix close to the rigorous counterpart, primarily due to error cancellations in the orientation-average process. Furthermore, the PG-O approximation based on an electric field volume-integral equation is shown to usually be much more accurate than the Kirchhoff surface integral equation at side-scattering angles, particularly when the modulus of the complex refractive index is close to unity. Finally, tunneling efficiencies are tabulated for representative faceted particles.

A New Family of Solvable Pearson-Dirichlet Random Walks

NASA Astrophysics Data System (ADS)

Le Caër, Gérard

2011-07-01

An n-step Pearson-Gamma random walk in ℝ d starts at the origin and consists of n independent steps with gamma distributed lengths and uniform orientations. The gamma distribution of each step length has a shape parameter q>0. Constrained random walks of n steps in ℝ d are obtained from the latter walks by imposing that the sum of the step lengths is equal to a fixed value. Simple closed-form expressions were obtained in particular for the distribution of the endpoint of such constrained walks for any d≥ d 0 and any n≥2 when q is either q = d/2 - 1 ( d 0=3) or q= d-1 ( d 0=2) (Le Caër in J. Stat. Phys. 140:728-751, 2010). When the total walk length is chosen, without loss of generality, to be equal to 1, then the constrained step lengths have a Dirichlet distribution whose parameters are all equal to q and the associated walk is thus named a Pearson-Dirichlet random walk. The density of the endpoint position of a n-step planar walk of this type ( n≥2), with q= d=2, was shown recently to be a weighted mixture of 1+ floor( n/2) endpoint densities of planar Pearson-Dirichlet walks with q=1 (Beghin and Orsingher in Stochastics 82:201-229, 2010). The previous result is generalized to any walk space dimension and any number of steps n≥2 when the parameter of the Pearson-Dirichlet random walk is q= d>1. We rely on the connection between an unconstrained random walk and a constrained one, which have both the same n and the same q= d, to obtain a closed-form expression of the endpoint density. The latter is a weighted mixture of 1+ floor( n/2) densities with simple forms, equivalently expressed as a product of a power and a Gauss hypergeometric function. The weights are products of factors which depends both on d and n and Bessel numbers independent of d.

Microscopic Mechanism of Doping-Induced Kinetically Constrained Crystallization in Phase-Change Materials.

PubMed

Lee, Tae Hoon; Loke, Desmond; Elliott, Stephen R

2015-10-07

A comprehensive microscopic mechanism of doping-induced kinetically constrained crystallization in phase-change materials is provided by investigating structural and dynamical dopant characteristics via ab initio molecular dynamics simulations. The information gained from this study may provide a basis for a fast screening of dopant species for electronic memory devices, or for understanding the general physics involved in the crystallization of doped glasses. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fabrication of (PPC/NCC)/PVA composites with inner-outer double constrained structure and improved glass transition temperature.

PubMed

Cui, Shaoying; Li, Li; Wang, Qi

2018-07-01

Improving glass transition temperature (T g ) and mechanical property of the environment-friendly poly(propylene carbonate) via intermacromolecular complexation through hydrogen bonding is attractive and of great importance. A novel and effective strategy to prepare (polypropylene carbonate/nanocrystalline cellulose)/polyvinyl alcohol ((PPC/NCC)/PVA) composites with inner-outer double constrained structure was reported in this work. Outside the PPC phase, PVA, as a strong skeleton at microscale, could constrain the movement of PPC molecular chains by forming hydrogen bonding with PPC at the interface of PPC and PVA phases; inside the PPC phase, the rod-like NCC could restrain the flexible molecular chains of PPC at nanoscale by forming multi-hydrogen bonding with PPC. Under the synergistic effect of this novel inner-outer double constrained structure, T g , mechanical properties and thermal stability of (PPC/NCC)/PVA composite were significantly increased, e.g. T g of the composite researched the maximum value of 49.6 °C, respectively 15.6 °C, 5.7 °C and 4.2 °C higher than that of PPC, PPC/NCC and PPC/PVA composite. Copyright © 2018 Elsevier Ltd. All rights reserved.

Random transitions described by the stochastic Smoluchowski-Poisson system and by the stochastic Keller-Segel model.

PubMed

Chavanis, P H; Delfini, L

2014-03-01

We study random transitions between two metastable states that appear below a critical temperature in a one-dimensional self-gravitating Brownian gas with a modified Poisson equation experiencing a second order phase transition from a homogeneous phase to an inhomogeneous phase [P. H. Chavanis and L. Delfini, Phys. Rev. E 81, 051103 (2010)]. We numerically solve the N-body Langevin equations and the stochastic Smoluchowski-Poisson system, which takes fluctuations (finite N effects) into account. The system switches back and forth between the two metastable states (bistability) and the particles accumulate successively at the center or at the boundary of the domain. We explicitly show that these random transitions exhibit the phenomenology of the ordinary Kramers problem for a Brownian particle in a double-well potential. The distribution of the residence time is Poissonian and the average lifetime of a metastable state is given by the Arrhenius law; i.e., it is proportional to the exponential of the barrier of free energy ΔF divided by the energy of thermal excitation kBT. Since the free energy is proportional to the number of particles N for a system with long-range interactions, the lifetime of metastable states scales as eN and is considerable for N≫1. As a result, in many applications, metastable states of systems with long-range interactions can be considered as stable states. However, for moderate values of N, or close to a critical point, the lifetime of the metastable states is reduced since the barrier of free energy decreases. In that case, the fluctuations become important and the mean field approximation is no more valid. This is the situation considered in this paper. By an appropriate change of notations, our results also apply to bacterial populations experiencing chemotaxis in biology. Their dynamics can be described by a stochastic Keller-Segel model that takes fluctuations into account and goes beyond the usual mean field approximation.

Constrained approximation of effective generators for multiscale stochastic reaction networks and application to conditioned path sampling

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

Cotter, Simon L., E-mail: simon.cotter@manchester.ac.uk

2016-10-15

Efficient analysis and simulation of multiscale stochastic systems of chemical kinetics is an ongoing area for research, and is the source of many theoretical and computational challenges. In this paper, we present a significant improvement to the constrained approach, which is a method for computing effective dynamics of slowly changing quantities in these systems, but which does not rely on the quasi-steady-state assumption (QSSA). The QSSA can cause errors in the estimation of effective dynamics for systems where the difference in timescales between the “fast” and “slow” variables is not so pronounced. This new application of the constrained approach allowsmore » us to compute the effective generator of the slow variables, without the need for expensive stochastic simulations. This is achieved by finding the null space of the generator of the constrained system. For complex systems where this is not possible, or where the constrained subsystem is itself multiscale, the constrained approach can then be applied iteratively. This results in breaking the problem down into finding the solutions to many small eigenvalue problems, which can be efficiently solved using standard methods. Since this methodology does not rely on the quasi steady-state assumption, the effective dynamics that are approximated are highly accurate, and in the case of systems with only monomolecular reactions, are exact. We will demonstrate this with some numerics, and also use the effective generators to sample paths of the slow variables which are conditioned on their endpoints, a task which would be computationally intractable for the generator of the full system.« less

Study of Interpolated Timing Recovery Phase-Locked Loop with Linearly Constrained Adaptive Prefilter for Higher-Density Optical Disc

NASA Astrophysics Data System (ADS)

Kajiwara, Yoshiyuki; Shiraishi, Junya; Kobayashi, Shoei; Yamagami, Tamotsu

2009-03-01

A digital phase-locked loop (PLL) with a linearly constrained adaptive filter (LCAF) has been studied for higher-linear-density optical discs. LCAF has been implemented before an interpolated timing recovery (ITR) PLL unit in order to improve the quality of phase error calculation by using an adaptively equalized partial response (PR) signal. Coefficient update of an asynchronous sampled adaptive FIR filter with a least-mean-square (LMS) algorithm has been constrained by a projection matrix in order to suppress the phase shift of the tap coefficients of the adaptive filter. We have developed projection matrices that are suitable for Blu-ray disc (BD) drive systems by numerical simulation. Results have shown the properties of the projection matrices. Then, we have designed the read channel system of the ITR PLL with an LCAF model on the FPGA board for experiments. Results have shown that the LCAF improves the tilt margins of 30 gigabytes (GB) recordable BD (BD-R) and 33 GB BD read-only memory (BD-ROM) with a sufficient LMS adaptation stability.

Orbital-selective Mott phases of a one-dimensional three-orbital Hubbard model studied using computational techniques

DOE PAGES

Liu, Guangkun; Kaushal, Nitin; Liu, Shaozhi; ...

2016-06-24

A recently introduced one-dimensional three-orbital Hubbard model displays orbital-selective Mott phases with exotic spin arrangements such as spin block states [J. Rincón et al., Phys. Rev. Lett. 112, 106405 (2014)]. In this paper we show that the constrained-path quantum Monte Carlo (CPQMC) technique can accurately reproduce the phase diagram of this multiorbital one-dimensional model, paving the way to future CPQMC studies in systems with more challenging geometries, such as ladders and planes. The success of this approach relies on using the Hartree-Fock technique to prepare the trial states needed in CPQMC. In addition, we study a simplified version of themore » model where the pair-hopping term is neglected and the Hund coupling is restricted to its Ising component. The corresponding phase diagrams are shown to be only mildly affected by the absence of these technically difficult-to-implement terms. This is confirmed by additional density matrix renormalization group and determinant quantum Monte Carlo calculations carried out for the same simplified model, with the latter displaying only mild fermion sign problems. Lastly, we conclude that these methods are able to capture quantitatively the rich physics of the several orbital-selective Mott phases (OSMP) displayed by this model, thus enabling computational studies of the OSMP regime in higher dimensions, beyond static or dynamic mean-field approximations.« less

Z-dependence of mean excitation energies for second and third row atoms and their ions

NASA Astrophysics Data System (ADS)

Sauer, Stephan P. A.; Sabin, John R.; Oddershede, Jens

2018-05-01

All mean excitation energies for second and third row atoms and their ions are calculated in the random-phase approximation using large basis sets. To a very good approximation, it turns out that mean excitation energies within an isoelectronic series are a quadratic function of the nuclear charge. It is demonstrated that this behavior is linked to the fact that the contributions from continuum electronic states give the dominate contributions to the mean excitation energies and that these contributions for atomic ions appear hydrogen-like. We argue that this finding may present a method to get a first estimate of mean excitation energies also for other non-relativistic atomic ions.

Capturing nonlocal interaction effects in the Hubbard model: Optimal mappings and limits of applicability

NASA Astrophysics Data System (ADS)

van Loon, E. G. C. P.; Schüler, M.; Katsnelson, M. I.; Wehling, T. O.

2016-10-01

We investigate the Peierls-Feynman-Bogoliubov variational principle to map Hubbard models with nonlocal interactions to effective models with only local interactions. We study the renormalization of the local interaction induced by nearest-neighbor interaction and assess the quality of the effective Hubbard models in reproducing observables of the corresponding extended Hubbard models. We compare the renormalization of the local interactions as obtained from numerically exact determinant quantum Monte Carlo to approximate but more generally applicable calculations using dual boson, dynamical mean field theory, and the random phase approximation. These more approximate approaches are crucial for any application with real materials in mind. Furthermore, we use the dual boson method to calculate observables of the extended Hubbard models directly and benchmark these against determinant quantum Monte Carlo simulations of the effective Hubbard model.

Launch and Assembly Reliability Analysis for Mars Human Space Exploration Missions

NASA Technical Reports Server (NTRS)

Cates, Grant R.; Stromgren, Chel; Cirillo, William M.; Goodliff, Kandyce E.

2013-01-01

NASA s long-range goal is focused upon human exploration of Mars. Missions to Mars will require campaigns of multiple launches to assemble Mars Transfer Vehicles in Earth orbit. Launch campaigns are subject to delays, launch vehicles can fail to place their payloads into the required orbit, and spacecraft may fail during the assembly process or while loitering prior to the Trans-Mars Injection (TMI) burn. Additionally, missions to Mars have constrained departure windows lasting approximately sixty days that repeat approximately every two years. Ensuring high reliability of launching and assembling all required elements in time to support the TMI window will be a key enabler to mission success. This paper describes an integrated methodology for analyzing and improving the reliability of the launch and assembly campaign phase. A discrete event simulation involves several pertinent risk factors including, but not limited to: manufacturing completion; transportation; ground processing; launch countdown; ascent; rendezvous and docking, assembly, and orbital operations leading up to TMI. The model accommodates varying numbers of launches, including the potential for spare launches. Having a spare launch capability provides significant improvement to mission success.

Optimal Guaranteed Cost Sliding Mode Control for Constrained-Input Nonlinear Systems With Matched and Unmatched Disturbances.

PubMed

Zhang, Huaguang; Qu, Qiuxia; Xiao, Geyang; Cui, Yang

2018-06-01

Based on integral sliding mode and approximate dynamic programming (ADP) theory, a novel optimal guaranteed cost sliding mode control is designed for constrained-input nonlinear systems with matched and unmatched disturbances. When the system moves on the sliding surface, the optimal guaranteed cost control problem of sliding mode dynamics is transformed into the optimal control problem of a reformulated auxiliary system with a modified cost function. The ADP algorithm based on single critic neural network (NN) is applied to obtain the approximate optimal control law for the auxiliary system. Lyapunov techniques are used to demonstrate the convergence of the NN weight errors. In addition, the derived approximate optimal control is verified to guarantee the sliding mode dynamics system to be stable in the sense of uniform ultimate boundedness. Some simulation results are presented to verify the feasibility of the proposed control scheme.

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

PubMed

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

2015-11-01

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

Chance-Constrained AC Optimal Power Flow for Distribution Systems With Renewables

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

DallAnese, Emiliano; Baker, Kyri; Summers, Tyler

This paper focuses on distribution systems featuring renewable energy sources (RESs) and energy storage systems, and presents an AC optimal power flow (OPF) approach to optimize system-level performance objectives while coping with uncertainty in both RES generation and loads. The proposed method hinges on a chance-constrained AC OPF formulation where probabilistic constraints are utilized to enforce voltage regulation with prescribed probability. A computationally more affordable convex reformulation is developed by resorting to suitable linear approximations of the AC power-flow equations as well as convex approximations of the chance constraints. The approximate chance constraints provide conservative bounds that hold for arbitrarymore » distributions of the forecasting errors. An adaptive strategy is then obtained by embedding the proposed AC OPF task into a model predictive control framework. Finally, a distributed solver is developed to strategically distribute the solution of the optimization problems across utility and customers.« less

a Numerical Investigation of the Jamming Transition in Traffic Flow on Diluted Planar Networks

NASA Astrophysics Data System (ADS)

Achler, Gabriele; Barra, Adriano

In order to develop a toy model for car's traffic in cities, in this paper we analyze, by means of numerical simulations, the transition among fluid regimes and a congested jammed phase of the flow of kinetically constrained hard spheres in planar random networks similar to urban roads. In order to explore as timescales as possible, at a microscopic level we implement an event driven dynamics as the infinite time limit of a class of already existing model (Follow the Leader) on an Erdos-Renyi two-dimensional graph, the crossroads being accounted by standard Kirchoff density conservations. We define a dynamical order parameter as the ratio among the moving spheres versus the total number and by varying two control parameters (density of the spheres and coordination number of the network) we study the phase transition. At a mesoscopic level it respects an, again suitable, adapted version of the Lighthill-Whitham model, which belongs to the fluid-dynamical approach to the problem. At a macroscopic level, the model seems to display a continuous transition from a fluid phase to a jammed phase when varying the density of the spheres (the amount of cars in a city-like scenario) and a discontinuous jump when varying the connectivity of the underlying network.

Comparison of Approaches to the Prediction of Surface Wave Phase Velocity

NASA Astrophysics Data System (ADS)

Godfrey, K. E.; Dalton, C. A.; Hjorleifsdottir, V.; Ekstrom, G.

2017-12-01

Global seismic models provide crucial information about the state, composition, and dynamics of the Earth's interior, and in the shallow mantle these models are primarily constrained by observations of surface waves. Models developed by different groups have been constructed using different data sets and different techniques. While these models exhibit good agreement on the long-wavelength features, there is less consistency in the patterns and amplitude of smaller-scale heterogeneity. Here we investigate how approximations in the theoretical treatment of wave propagation and excitation influence the interpretation of measured phase delays and the tomographic images that result from inverting them. Synthetic seismograms were generated using SPECFEM3D_GLOBE for 42 earthquakes, 134 receiver locations, and two 3-D models of elastic Earth structure: S362ANI (Kustowski et al., 2008) and a rougher model constructed by adding realistic small-scale structure to S362ANI. Fundamental-mode Rayleigh and Love wave phase delays in the period range 35-250 seconds were measured using the approach of Ekström et al. (1997), for which PREM is the assumed reference Earth model. These measurements were compared to phase-delay predictions generated for the great-circle ray approximation, exact ray theory, and finite-frequency theory. We find that for both 3-D earth models exact ray theory provides the best fit to the measurements at short periods. At longer periods finite frequency theory provides the best fit. For the smooth earth model, the differences in fit for the various predictions are less significant at long periods than at shorter periods. The differences at long periods become more significant with increasing model roughness. In all cases, the agreement between predictions and measurements is best for paths located away from nodes in the source radiation pattern. The ability of the measured phase delays to recover the input Earth models is assessed through tests that explore the influence of parameterization, regularization, and crustal corrections.

Scalable learning method for feedforward neural networks using minimal-enclosing-ball approximation.

PubMed

Wang, Jun; Deng, Zhaohong; Luo, Xiaoqing; Jiang, Yizhang; Wang, Shitong

2016-06-01

Training feedforward neural networks (FNNs) is one of the most critical issues in FNNs studies. However, most FNNs training methods cannot be directly applied for very large datasets because they have high computational and space complexity. In order to tackle this problem, the CCMEB (Center-Constrained Minimum Enclosing Ball) problem in hidden feature space of FNN is discussed and a novel learning algorithm called HFSR-GCVM (hidden-feature-space regression using generalized core vector machine) is developed accordingly. In HFSR-GCVM, a novel learning criterion using L2-norm penalty-based ε-insensitive function is formulated and the parameters in the hidden nodes are generated randomly independent of the training sets. Moreover, the learning of parameters in its output layer is proved equivalent to a special CCMEB problem in FNN hidden feature space. As most CCMEB approximation based machine learning algorithms, the proposed HFSR-GCVM training algorithm has the following merits: The maximal training time of the HFSR-GCVM training is linear with the size of training datasets and the maximal space consumption is independent of the size of training datasets. The experiments on regression tasks confirm the above conclusions. Copyright © 2016 Elsevier Ltd. All rights reserved.

Critical transition in the constrained traveling salesman problem.

PubMed

Andrecut, M; Ali, M K

2001-04-01

We investigate the finite size scaling of the mean optimal tour length as a function of density of obstacles in a constrained variant of the traveling salesman problem (TSP). The computational experience pointed out a critical transition (at rho(c) approximately 85%) in the dependence between the excess of the mean optimal tour length over the Held-Karp lower bound and the density of obstacles.

Parallel transmit excitation at 1.5 T based on the minimization of a driving function for device heating

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

Gudino, N., E-mail: natalia.gudino@nih.gov; Sonmez, M.; Nielles-Vallespin, S.

2015-01-15

Purpose: To provide a rapid method to reduce the radiofrequency (RF) E-field coupling and consequent heating in long conductors in an interventional MRI (iMRI) setup. Methods: A driving function for device heating (W) was defined as the integration of the E-field along the direction of the wire and calculated through a quasistatic approximation. Based on this function, the phases of four independently controlled transmit channels were dynamically changed in a 1.5 T MRI scanner. During the different excitation configurations, the RF induced heating in a nitinol wire immersed in a saline phantom was measured by fiber-optic temperature sensing. Additionally, amore » minimization of W as a function of phase and amplitude values of the different channels and constrained by the homogeneity of the RF excitation field (B{sub 1}) over a region of interest was proposed and its results tested on the benchtop. To analyze the validity of the proposed method, using a model of the array and phantom setup tested in the scanner, RF fields and SAR maps were calculated through finite-difference time-domain (FDTD) simulations. In addition to phantom experiments, RF induced heating of an active guidewire inserted in a swine was also evaluated. Results: In the phantom experiment, heating at the tip of the device was reduced by 92% when replacing the body coil by an optimized parallel transmit excitation with same nominal flip angle. In the benchtop, up to 90% heating reduction was measured when implementing the constrained minimization algorithm with the additional degree of freedom given by independent amplitude control. The computation of the optimum phase and amplitude values was executed in just 12 s using a standard CPU. The results of the FDTD simulations showed similar trend of the local SAR at the tip of the wire and measured temperature as well as to a quadratic function of W, confirming the validity of the quasistatic approach for the presented problem at 64 MHz. Imaging and heating reduction of the guidewire were successfully performed in vivo with the proposed hardware and phase control. Conclusions: Phantom and in vivo data demonstrated that additional degrees of freedom in a parallel transmission system can be used to control RF induced heating in long conductors. A novel constrained optimization approach to reduce device heating was also presented that can be run in just few seconds and therefore could be added to an iMRI protocol to improve RF safety.« less

Resource-constrained scheduling with hard due windows and rejection penalties

NASA Astrophysics Data System (ADS)

Garcia, Christopher

2016-09-01

This work studies a scheduling problem where each job must be either accepted and scheduled to complete within its specified due window, or rejected altogether. Each job has a certain processing time and contributes a certain profit if accepted or penalty cost if rejected. There is a set of renewable resources, and no resource limit can be exceeded at any time. Each job requires a certain amount of each resource when processed, and the objective is to maximize total profit. A mixed-integer programming formulation and three approximation algorithms are presented: a priority rule heuristic, an algorithm based on the metaheuristic for randomized priority search and an evolutionary algorithm. Computational experiments comparing these four solution methods were performed on a set of generated benchmark problems covering a wide range of problem characteristics. The evolutionary algorithm outperformed the other methods in most cases, often significantly, and never significantly underperformed any method.

An investigation of turbulent transport in the extreme lower atmosphere

NASA Technical Reports Server (NTRS)

Koper, C. A., Jr.; Sadeh, W. Z.

1975-01-01

A model in which the Lagrangian autocorrelation is expressed by a domain integral over a set of usual Eulerian autocorrelations acquired concurrently at all points within a turbulence box is proposed along with a method for ascertaining the statistical stationarity of turbulent velocity by creating an equivalent ensemble to investigate the flow in the extreme lower atmosphere. Simultaneous measurements of turbulent velocity on a turbulence line along the wake axis were carried out utilizing a longitudinal array of five hot-wire anemometers remotely operated. The stationarity test revealed that the turbulent velocity is approximated as a realization of a weakly self-stationary random process. Based on the Lagrangian autocorrelation it is found that: (1) large diffusion time predominated; (2) ratios of Lagrangian to Eulerian time and spatial scales were smaller than unity; and, (3) short and long diffusion time scales and diffusion spatial scales were constrained within their Eulerian counterparts.

Phase behaviors of supramolecular graft copolymers with reversible bonding

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

Zhang, Xu; Wang, Liquan, E-mail: jlin@ecust.edu.cn, E-mail: lq-wang@ecust.edu.cn; Jiang, Tao

2013-11-14

Phase behaviors of supramolecular graft copolymers with reversible bonding interactions were examined by the random-phase approximation and real-space implemented self-consistent field theory. The studied supramolecular graft copolymers consist of two different types of mutually incompatible yet reactive homopolymers, where one homopolymer (backbone) possesses multifunctional groups that allow second homopolymers (grafts) to be placed on. The calculations carried out show that the bonding strength exerts a pronounced effect on the phase behaviors of supramolecular graft copolymers. The length ratio of backbone to graft and the positions of functional groups along the backbone are also of importance to determine the phase behaviors.more » Phase diagrams were constructed at high bonding strength to illustrate this architectural dependence. It was found that the excess unbounded homopolymers swell the phase domains and shift the phase boundaries. The results were finally compared with the available experimental observations, and a well agreement is shown. The present work could, in principle, provide a general understanding of the phase behaviors of supramolecular graft copolymers with reversible bonding.« less

Designing management strategies for carbon dioxide storage and utilization under uncertainty using inexact modelling

NASA Astrophysics Data System (ADS)

Wang, Yu; Fan, Jie; Xu, Ye; Sun, Wei; Chen, Dong

2017-06-01

Effective application of carbon capture, utilization and storage (CCUS) systems could help to alleviate the influence of climate change by reducing carbon dioxide (CO2) emissions. The research objective of this study is to develop an equilibrium chance-constrained programming model with bi-random variables (ECCP model) for supporting the CCUS management system under random circumstances. The major advantage of the ECCP model is that it tackles random variables as bi-random variables with a normal distribution, where the mean values follow a normal distribution. This could avoid irrational assumptions and oversimplifications in the process of parameter design and enrich the theory of stochastic optimization. The ECCP model is solved by an equilibrium change-constrained programming algorithm, which provides convenience for decision makers to rank the solution set using the natural order of real numbers. The ECCP model is applied to a CCUS management problem, and the solutions could be useful in helping managers to design and generate rational CO2-allocation patterns under complexities and uncertainties.

Time-resolved, dual heterodyne phase collection transient grating spectroscopy

DOE PAGES

Dennett, Cody A.; Short, Michael P.

2017-05-23

The application of optical heterodyne detection for transient grating spectroscopy (TGS) using a fixed, binary phase mask often relies on taking the difference between signals captured at multiple heterodyne phases. To date, this has been accomplished by manually controlling the heterodyne phase between measurements with an optical flat. In this letter, an optical configuration is presented which allows for collection of TGS measurements at two heterodyne phases concurrently through the use of two independently phase controlled interrogation paths. This arrangement allows for complete, heterodyne amplified TGS measurements to be made in a manner not constrained by a mechanical actuation time.more » Measurements are instead constrained only by the desired signal-to-noise ratio. A temporal resolution of between 1 and 10 s, demonstrated here on single crystal metallic samples, will allow TGS experiments to be used as an in-situ, time-resolved monitoring technique for many material processing applications.« less

Time-resolved, dual heterodyne phase collection transient grating spectroscopy

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

Dennett, Cody A.; Short, Michael P.

The application of optical heterodyne detection for transient grating spectroscopy (TGS) using a fixed, binary phase mask often relies on taking the difference between signals captured at multiple heterodyne phases. To date, this has been accomplished by manually controlling the heterodyne phase between measurements with an optical flat. In this letter, an optical configuration is presented which allows for collection of TGS measurements at two heterodyne phases concurrently through the use of two independently phase controlled interrogation paths. This arrangement allows for complete, heterodyne amplified TGS measurements to be made in a manner not constrained by a mechanical actuation time.more » Measurements are instead constrained only by the desired signal-to-noise ratio. A temporal resolution of between 1 and 10 s, demonstrated here on single crystal metallic samples, will allow TGS experiments to be used as an in-situ, time-resolved monitoring technique for many material processing applications.« less

Generating constrained randomized sequences: item frequency matters.

PubMed

French, Robert M; Perruchet, Pierre

2009-11-01

All experimental psychologists understand the importance of randomizing lists of items. However, randomization is generally constrained, and these constraints-in particular, not allowing immediately repeated items-which are designed to eliminate particular biases, frequently engender others. We describe a simple Monte Carlo randomization technique that solves a number of these problems. However, in many experimental settings, we are concerned not only with the number and distribution of items but also with the number and distribution of transitions between items. The algorithm mentioned above provides no control over this. We therefore introduce a simple technique that uses transition tables for generating correctly randomized sequences. We present an analytic method of producing item-pair frequency tables and item-pair transitional probability tables when immediate repetitions are not allowed. We illustrate these difficulties and how to overcome them, with reference to a classic article on word segmentation in infants. Finally, we provide free access to an Excel file that allows users to generate transition tables with up to 10 different item types, as well as to generate appropriately distributed randomized sequences of any length without immediately repeated elements. This file is freely available from http://leadserv.u-bourgogne.fr/IMG/xls/TransitionMatrix.xls.

A Bayesian framework for infrasound location

NASA Astrophysics Data System (ADS)

Modrak, Ryan T.; Arrowsmith, Stephen J.; Anderson, Dale N.

2010-04-01

We develop a framework for location of infrasound events using backazimuth and infrasonic arrival times from multiple arrays. Bayesian infrasonic source location (BISL) developed here estimates event location and associated credibility regions. BISL accounts for unknown source-to-array path or phase by formulating infrasonic group velocity as random. Differences between observed and predicted source-to-array traveltimes are partitioned into two additive Gaussian sources, measurement error and model error, the second of which accounts for the unknown influence of wind and temperature on path. By applying the technique to both synthetic tests and ground-truth events, we highlight the complementary nature of back azimuths and arrival times for estimating well-constrained event locations. BISL is an extension to methods developed earlier by Arrowsmith et al. that provided simple bounds on location using a grid-search technique.

New band structures in Neutron-Rich Mo and Ru Isotopes

DOE PAGES

Hamilton, J. H.; Luoa, Y. X.; Zhu, S. J.; ...

2009-01-01

Rotational bands in 110,112Ru and 108Mo have been investigated by means of γ-γ-γ and γ-γ(θ) coincidences of prompt γ rays emitted in the spontaneous fission of 252Cf. New ΔI = 1 negative parity doublet bands are found. These bands in 110,112Ru and 108Mo have all the properties expected for chiral vibrations. Microscopic calculations that combine the TAC meanfield with random phase approximation support this interpretation.

Reference Determinant Dependence of the Random Phase Approximation in 3d Transition Metal Chemistry.

PubMed

Bates, J E; Mezei, P D; Csonka, G I; Sun, J; Ruzsinszky, A

2017-01-10

Without extensive fitting, accurate prediction of transition metal chemistry is a challenge for semilocal and hybrid density funcitonals. The Random Phase Approximation (RPA) has been shown to yield superior results to semilocal functionals for main group thermochemistry, but much less is known about its performance for transition metals. We have therefore analyzed the behavior of reaction energies, barrier heights, and ligand dissociation energies obtained with RPA and compare our results to several semilocal and hybrid functionals. Particular attention is paid to the reference determinant dependence of RPA. We find that typically the results do not vary much between semilocal or hybrid functionals as a reference, as long as the fraction of exact exchange (EXX) mixing in the hybrid functional is small. For large fractions of EXX mixing, however, the Hartree-Fock-like nature of the determinant can severely degrade the performance. Overall, RPA systematically reduces the errors of semilocal functionals and delivers excellent performance from a single reference determinant for inherently multireference reactions. The behavior of dual hybrids that combine RPA correlation with a hybrid exchange energy was also explored, but ultimately did not lead to a systematic improvement compared to traditional RPA for these systems. We rationalize this conclusion by decomposing the contributions to the reaction energies, and briefly discuss the possible implications for double-hybrid functionals based on RPA. The correlation between EXX mixing and spin-symmetry breaking is also discussed.

Bayesian inference of Earth's radial seismic structure from body-wave traveltimes using neural networks

NASA Astrophysics Data System (ADS)

de Wit, Ralph W. L.; Valentine, Andrew P.; Trampert, Jeannot

2013-10-01

How do body-wave traveltimes constrain the Earth's radial (1-D) seismic structure? Existing 1-D seismological models underpin 3-D seismic tomography and earthquake location algorithms. It is therefore crucial to assess the quality of such 1-D models, yet quantifying uncertainties in seismological models is challenging and thus often ignored. Ideally, quality assessment should be an integral part of the inverse method. Our aim in this study is twofold: (i) we show how to solve a general Bayesian non-linear inverse problem and quantify model uncertainties, and (ii) we investigate the constraint on spherically symmetric P-wave velocity (VP) structure provided by body-wave traveltimes from the EHB bulletin (phases Pn, P, PP and PKP). Our approach is based on artificial neural networks, which are very common in pattern recognition problems and can be used to approximate an arbitrary function. We use a Mixture Density Network to obtain 1-D marginal posterior probability density functions (pdfs), which provide a quantitative description of our knowledge on the individual Earth parameters. No linearization or model damping is required, which allows us to infer a model which is constrained purely by the data. We present 1-D marginal posterior pdfs for the 22 VP parameters and seven discontinuity depths in our model. P-wave velocities in the inner core, outer core and lower mantle are resolved well, with standard deviations of ˜0.2 to 1 per cent with respect to the mean of the posterior pdfs. The maximum likelihoods of VP are in general similar to the corresponding ak135 values, which lie within one or two standard deviations from the posterior means, thus providing an independent validation of ak135 in this part of the radial model. Conversely, the data contain little or no information on P-wave velocity in the D'' layer, the upper mantle and the homogeneous crustal layers. Further, the data do not constrain the depth of the discontinuities in our model. Using additional phases available in the ISC bulletin, such as PcP, PKKP and the converted phases SP and ScP, may enhance the resolvability of these parameters. Finally, we show how the method can be extended to obtain a posterior pdf for a multidimensional model space. This enables us to investigate correlations between model parameters.

Diffusion in random networks: Asymptotic properties, and numerical and engineering approximations

NASA Astrophysics Data System (ADS)

Padrino, Juan C.; Zhang, Duan Z.

2016-11-01

The ensemble phase averaging technique is applied to model mass transport by diffusion in random networks. The system consists of an ensemble of random networks, where each network is made of a set of pockets connected by tortuous channels. Inside a channel, we assume that fluid transport is governed by the one-dimensional diffusion equation. Mass balance leads to an integro-differential equation for the pores mass density. The so-called dual porosity model is found to be equivalent to the leading order approximation of the integration kernel when the diffusion time scale inside the channels is small compared to the macroscopic time scale. As a test problem, we consider the one-dimensional mass diffusion in a semi-infinite domain, whose solution is sought numerically. Because of the required time to establish the linear concentration profile inside a channel, for early times the similarity variable is xt- 1 / 4 rather than xt- 1 / 2 as in the traditional theory. This early time sub-diffusive similarity can be explained by random walk theory through the network. In addition, by applying concepts of fractional calculus, we show that, for small time, the governing equation reduces to a fractional diffusion equation with known solution. We recast this solution in terms of special functions easier to compute. Comparison of the numerical and exact solutions shows excellent agreement.

Comparison of techniques for approximating ocean bottom topography in a wave-refraction computer model

NASA Technical Reports Server (NTRS)

Poole, L. R.

1975-01-01

A study of the effects of using different methods for approximating bottom topography in a wave-refraction computer model was conducted. Approximation techniques involving quadratic least squares, cubic least squares, and constrained bicubic polynomial interpolation were compared for computed wave patterns and parameters in the region of Saco Bay, Maine. Although substantial local differences can be attributed to use of the different approximation techniques, results indicated that overall computed wave patterns and parameter distributions were quite similar.

The quantum-field renormalization group in the problem of a growing phase boundary

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

Antonov, N.V.; Vasil`ev, A.N.

1995-09-01

Within the quantum-field renormalization-group approach we examine the stochastic equation discussed by S.I. Pavlik in describing a randomly growing phase boundary. We show that, in contrast to Pavlik`s assertion, the model is not multiplicatively renormalizable and that its consistent renormalization-group analysis requires introducing an infinite number of counterterms and the respective coupling constants ({open_quotes}charge{close_quotes}). An explicit calculation in the one-loop approximation shows that a two-dimensional surface of renormalization-group points exits in the infinite-dimensional charge space. If the surface contains an infrared stability region, the problem allows for scaling with the nonuniversal critical dimensionalities of the height of the phase boundarymore » and time, {delta}{sub h} and {delta}{sub t}, which satisfy the exact relationship 2 {delta}{sub h}= {delta}{sub t} + d, where d is the dimensionality of the phase boundary. 23 refs., 1 tab.« less

Envelope and phase distribution of a resonance transmission through a complex environment

NASA Astrophysics Data System (ADS)

Savin, Dmitry V.

2018-06-01

A transmission amplitude is considered for quantum or wave transport mediated by a single resonance coupled to the background of many chaotic states. Such a model provides a useful approach to quantify fluctuations in an established signal induced by a complex environment. Applying random matrix theory to the problem, we derive an exact result for the joint distribution of the transmission intensity (envelope) and the transmission phase at arbitrary coupling to the background with finite absorption. The intensity and phase are distributed within a certain region, revealing essential correlations even at strong absorption. In the latter limit, we obtain a simple asymptotic expression that provides a uniformly good approximation of the exact distribution within its whole support, thus going beyond the Rician distribution often used for such purposes. Exact results are also derived for the marginal distribution of the phase, including its limiting forms at weak and strong absorption.

Fast computation of molecular random phase approximation correlation energies using resolution of the identity and imaginary frequency integration

NASA Astrophysics Data System (ADS)

Eshuis, Henk; Yarkony, Julian; Furche, Filipp

2010-06-01

The random phase approximation (RPA) is an increasingly popular post-Kohn-Sham correlation method, but its high computational cost has limited molecular applications to systems with few atoms. Here we present an efficient implementation of RPA correlation energies based on a combination of resolution of the identity (RI) and imaginary frequency integration techniques. We show that the RI approximation to four-index electron repulsion integrals leads to a variational upper bound to the exact RPA correlation energy if the Coulomb metric is used. Auxiliary basis sets optimized for second-order Møller-Plesset (MP2) calculations are well suitable for RPA, as is demonstrated for the HEAT [A. Tajti et al., J. Chem. Phys. 121, 11599 (2004)] and MOLEKEL [F. Weigend et al., Chem. Phys. Lett. 294, 143 (1998)] benchmark sets. Using imaginary frequency integration rather than diagonalization to compute the matrix square root necessary for RPA, evaluation of the RPA correlation energy requires O(N4 log N) operations and O(N3) storage only; the price for this dramatic improvement over existing algorithms is a numerical quadrature. We propose a numerical integration scheme that is exact in the two-orbital case and converges exponentially with the number of grid points. For most systems, 30-40 grid points yield μH accuracy in triple zeta basis sets, but much larger grids are necessary for small gap systems. The lowest-order approximation to the present method is a post-Kohn-Sham frequency-domain version of opposite-spin Laplace-transform RI-MP2 [J. Jung et al., Phys. Rev. B 70, 205107 (2004)]. Timings for polyacenes with up to 30 atoms show speed-ups of two orders of magnitude over previous implementations. The present approach makes it possible to routinely compute RPA correlation energies of systems well beyond 100 atoms, as is demonstrated for the octapeptide angiotensin II.

Fast computation of molecular random phase approximation correlation energies using resolution of the identity and imaginary frequency integration.

PubMed

Eshuis, Henk; Yarkony, Julian; Furche, Filipp

2010-06-21

The random phase approximation (RPA) is an increasingly popular post-Kohn-Sham correlation method, but its high computational cost has limited molecular applications to systems with few atoms. Here we present an efficient implementation of RPA correlation energies based on a combination of resolution of the identity (RI) and imaginary frequency integration techniques. We show that the RI approximation to four-index electron repulsion integrals leads to a variational upper bound to the exact RPA correlation energy if the Coulomb metric is used. Auxiliary basis sets optimized for second-order Møller-Plesset (MP2) calculations are well suitable for RPA, as is demonstrated for the HEAT [A. Tajti et al., J. Chem. Phys. 121, 11599 (2004)] and MOLEKEL [F. Weigend et al., Chem. Phys. Lett. 294, 143 (1998)] benchmark sets. Using imaginary frequency integration rather than diagonalization to compute the matrix square root necessary for RPA, evaluation of the RPA correlation energy requires O(N(4) log N) operations and O(N(3)) storage only; the price for this dramatic improvement over existing algorithms is a numerical quadrature. We propose a numerical integration scheme that is exact in the two-orbital case and converges exponentially with the number of grid points. For most systems, 30-40 grid points yield muH accuracy in triple zeta basis sets, but much larger grids are necessary for small gap systems. The lowest-order approximation to the present method is a post-Kohn-Sham frequency-domain version of opposite-spin Laplace-transform RI-MP2 [J. Jung et al., Phys. Rev. B 70, 205107 (2004)]. Timings for polyacenes with up to 30 atoms show speed-ups of two orders of magnitude over previous implementations. The present approach makes it possible to routinely compute RPA correlation energies of systems well beyond 100 atoms, as is demonstrated for the octapeptide angiotensin II.

Devil's vortex Fresnel lens phase masks on an asymmetric cryptosystem based on phase-truncation in gyrator wavelet transform domain

NASA Astrophysics Data System (ADS)

Singh, Hukum

2016-06-01

An asymmetric scheme has been proposed for optical double images encryption in the gyrator wavelet transform (GWT) domain. Grayscale and binary images are encrypted separately using double random phase encoding (DRPE) in the GWT domain. Phase masks based on devil's vortex Fresnel Lens (DVFLs) and random phase masks (RPMs) are jointly used in spatial as well as in the Fourier plane. The images to be encrypted are first gyrator transformed and then single-level discrete wavelet transformed (DWT) to decompose LL , HL , LH and HH matrices of approximation, horizontal, vertical and diagonal coefficients. The resulting coefficients from the DWT are multiplied by other RPMs and the results are applied to inverse discrete wavelet transform (IDWT) for obtaining the encrypted images. The images are recovered from their corresponding encrypted images by using the correct parameters of the GWT, DVFL and its digital implementation has been performed using MATLAB 7.6.0 (R2008a). The mother wavelet family, DVFL and gyrator transform orders associated with the GWT are extra keys that cause difficulty to an attacker. Thus, the scheme is more secure as compared to conventional techniques. The efficacy of the proposed scheme is verified by computing mean-squared-error (MSE) between recovered and the original images. The sensitivity of the proposed scheme is verified with encryption parameters and noise attacks.

Shock Condition Forensics and Cryptic Phase Transformations from Crystallographic Orientation Relationships in Zircon

NASA Astrophysics Data System (ADS)

Timms, N. E.; Erickson, T. M.; Cavosie, A. J.; Pearce, M. A.; Reddy, S. M.; Zanetti, M.; Tohver, E.; Schmieder, M.; Nemchin, A. A.; Wittmann, A.

2016-08-01

We present an approach to constrain pressure and temperature conditions during impact events involving identification of cryptic histories of phase transformations from orientation relationships in shocked zircon, linked to new P-T phase diagrams.

Convergence behavior of the random phase approximation renormalized correlation energy

NASA Astrophysics Data System (ADS)

Bates, Jefferson E.; Sensenig, Jonathon; Ruzsinszky, Adrienn

2017-05-01

Based on the random phase approximation (RPA), RPA renormalization [J. E. Bates and F. Furche, J. Chem. Phys. 139, 171103 (2013), 10.1063/1.4827254] is a robust many-body perturbation theory that works for molecules and materials because it does not diverge as the Kohn-Sham gap approaches zero. Additionally, RPA renormalization enables the simultaneous calculation of RPA and beyond-RPA correlation energies since the total correlation energy is the sum of a series of independent contributions. The first-order approximation (RPAr1) yields the dominant beyond-RPA contribution to the correlation energy for a given exchange-correlation kernel, but systematically underestimates the total beyond-RPA correction. For both the homogeneous electron gas model and real systems, we demonstrate numerically that RPA renormalization beyond first order converges monotonically to the infinite-order beyond-RPA correlation energy for several model exchange-correlation kernels and that the rate of convergence is principally determined by the choice of the kernel and spin polarization of the ground state. The monotonic convergence is rationalized from an analysis of the RPA renormalized correlation energy corrections, assuming the exchange-correlation kernel and response functions satisfy some reasonable conditions. For spin-unpolarized atoms, molecules, and bulk solids, we find that RPA renormalization is typically converged to 1 meV error or less by fourth order regardless of the band gap or dimensionality. Most spin-polarized systems converge at a slightly slower rate, with errors on the order of 10 meV at fourth order and typically requiring up to sixth order to reach 1 meV error or less. Slowest to converge, however, open-shell atoms present the most challenging case and require many higher orders to converge.

Explanation of random experiment sheduling and its application to space station analysis

NASA Technical Reports Server (NTRS)

Moore, J. E.

1970-01-01

The capability of the McDonnell-Douglas Phase B space station concept to complete the Blue Book Experiment program is analyzed and the Random experiment program with Resource Impact (REPRI) which was used to generate the data is described. The results indicate that station manpower and electrical power are the two resources which will constrain the amount of the Blue Book program that the station can complete. The station experiment program and its resource requirements are sensitive to levels of manpower and electrical power 13.5 men and 11 kilowatts. Continuous artificial gravity experiments have much less impact on the experiment program than experiments using separate artificial gravity periods. Station storage volume presently allocated for the FPE's and their supplies (1600 cu ft) is more than adequate. The REPRI program uses the Monte Carlo technique to generate a set of feasible experiment schedules for a space station. The schedules are statistically analyzed to determine the impact of the station experiment program resource requirements on the station concept. Also, the sensitivity of the station concept to one or more resources is assessed.

Optimal Chebyshev polynomials on ellipses in the complex plane

NASA Technical Reports Server (NTRS)

Fischer, Bernd; Freund, Roland

1989-01-01

The design of iterative schemes for sparse matrix computations often leads to constrained polynomial approximation problems on sets in the complex plane. For the case of ellipses, we introduce a new class of complex polynomials which are in general very good approximations to the best polynomials and even optimal in most cases.

The Approximation of Two-Mode Proximity Matrices by Sums of Order-Constrained Matrices.

ERIC Educational Resources Information Center

Hubert, Lawrence; Arabie, Phipps

1995-01-01

A least-squares strategy is proposed for representing a two-mode proximity matrix as an approximate sum of a small number of matrices that satisfy certain simple order constraints on their entries. The primary class of constraints considered defines Q-forms for particular conditions in a two-mode matrix. (SLD)

An Alternating Least Squares Method for the Weighted Approximation of a Symmetric Matrix.

ERIC Educational Resources Information Center

ten Berge, Jos M. F.; Kiers, Henk A. L.

1993-01-01

R. A. Bailey and J. C. Gower explored approximating a symmetric matrix "B" by another, "C," in the least squares sense when the squared discrepancies for diagonal elements receive specific nonunit weights. A solution is proposed where "C" is constrained to be positive semidefinite and of a fixed rank. (SLD)

New Bernstein type inequalities for polynomials on ellipses

NASA Technical Reports Server (NTRS)

Freund, Roland; Fischer, Bernd

1990-01-01

New and sharp estimates are derived for the growth in the complex plane of polynomials known to have a curved majorant on a given ellipse. These so-called Bernstein type inequalities are closely connected with certain constrained Chebyshev approximation problems on ellipses. Also presented are some new results for approximation problems of this type.

Sparsest representations and approximations of an underdetermined linear system

NASA Astrophysics Data System (ADS)

Tardivel, Patrick J. C.; Servien, Rémi; Concordet, Didier

2018-05-01

In an underdetermined linear system of equations, constrained l 1 minimization methods such as the basis pursuit or the lasso are often used to recover one of the sparsest representations or approximations of the system. The null space property is a sufficient and ‘almost’ necessary condition to recover a sparsest representation with the basis pursuit. Unfortunately, this property cannot be easily checked. On the other hand, the mutual coherence is an easily checkable sufficient condition insuring the basis pursuit to recover one of the sparsest representations. Because the mutual coherence condition is too strong, it is hardly met in practice. Even if one of these conditions holds, to our knowledge, there is no theoretical result insuring that the lasso solution is one of the sparsest approximations. In this article, we study a novel constrained problem that gives, without any condition, one of the sparsest representations or approximations. To solve this problem, we provide a numerical method and we prove its convergence. Numerical experiments show that this approach gives better results than both the basis pursuit problem and the reweighted l 1 minimization problem.

A Measure Approximation for Distributionally Robust PDE-Constrained Optimization Problems

DOE PAGES

Kouri, Drew Philip

2017-12-19

In numerous applications, scientists and engineers acquire varied forms of data that partially characterize the inputs to an underlying physical system. This data is then used to inform decisions such as controls and designs. Consequently, it is critical that the resulting control or design is robust to the inherent uncertainties associated with the unknown probabilistic characterization of the model inputs. Here in this work, we consider optimal control and design problems constrained by partial differential equations with uncertain inputs. We do not assume a known probabilistic model for the inputs, but rather we formulate the problem as a distributionally robustmore » optimization problem where the outer minimization problem determines the control or design, while the inner maximization problem determines the worst-case probability measure that matches desired characteristics of the data. We analyze the inner maximization problem in the space of measures and introduce a novel measure approximation technique, based on the approximation of continuous functions, to discretize the unknown probability measure. Finally, we prove consistency of our approximated min-max problem and conclude with numerical results.« less

Stiffness-constant variation in nickel-based alloys: Experiment and theory

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

Hennion, M.; Hennion, B.

1979-01-01

Recent measurements of the spin-wave stiffness constant in several nickel alloys at various concentrations are interpreted within a random-phase approximation, coherent-potential approximation (RPA-CPA) band model which uses the Hartree-Fock approximation to treat the intraatomic correlations. We give a theoretical description of the possible impurity states in the Hartree-Fock approximation. This allows the determination of the Hartree-Fock solutions which can account for the stiffness-constant behavior and the magnetic moment on the impurity for all the investigated alloys. For alloys such as NiCr, NiV, NiMo, and NiRu, the magnetizations of which deviate from the Slater-Pauling curve, our determination does not correspond tomore » previous works and is consequently discussed. The limits of the model appear mainly due to local-environment effects; in the case of NiMn, it is found that a ternary-alloy model with some Mn atoms in the antiferromagnetic state can account for both stiffness-constant and magnetization behaviors.« less

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Optics of Water Microdroplets with Soot Inclusions: Exact Versus Approximate Results

NASA Technical Reports Server (NTRS)

Liu, Li; Mishchenko, Michael I.

2016-01-01

We use the recently generalized version of the multi-sphere superposition T-matrix method (STMM) to compute the scattering and absorption properties of microscopic water droplets contaminated by black carbon. The soot material is assumed to be randomly distributed throughout the droplet interior in the form of numerous small spherical inclusions. Our numerically-exact STMM results are compared with approximate ones obtained using the Maxwell-Garnett effective-medium approximation (MGA) and the Monte Carlo ray-tracing approximation (MCRTA). We show that the popular MGA can be used to calculate the droplet optical cross sections, single-scattering albedo, and asymmetry parameter provided that the soot inclusions are quasi-uniformly distributed throughout the droplet interior, but can fail in computations of the elements of the scattering matrix depending on the volume fraction of soot inclusions. The integral radiative characteristics computed with the MCRTA can deviate more significantly from their exact STMM counterparts, while accurate MCRTA computations of the phase function require droplet size parameters substantially exceeding 60.

Phased-mission system analysis using Boolean algebraic methods

NASA Technical Reports Server (NTRS)

Somani, Arun K.; Trivedi, Kishor S.

1993-01-01

Most reliability analysis techniques and tools assume that a system is used for a mission consisting of a single phase. However, multiple phases are natural in many missions. The failure rates of components, system configuration, and success criteria may vary from phase to phase. In addition, the duration of a phase may be deterministic or random. Recently, several researchers have addressed the problem of reliability analysis of such systems using a variety of methods. A new technique for phased-mission system reliability analysis based on Boolean algebraic methods is described. Our technique is computationally efficient and is applicable to a large class of systems for which the failure criterion in each phase can be expressed as a fault tree (or an equivalent representation). Our technique avoids state space explosion that commonly plague Markov chain-based analysis. A phase algebra to account for the effects of variable configurations and success criteria from phase to phase was developed. Our technique yields exact (as opposed to approximate) results. The use of our technique was demonstrated by means of an example and present numerical results to show the effects of mission phases on the system reliability.

An English language interface for constrained domains

NASA Technical Reports Server (NTRS)

Page, Brenda J.

1989-01-01

The Multi-Satellite Operations Control Center (MSOCC) Jargon Interpreter (MJI) demonstrates an English language interface for a constrained domain. A constrained domain is defined as one with a small and well delineated set of actions and objects. The set of actions chosen for the MJI is from the domain of MSOCC Applications Executive (MAE) Systems Test and Operations Language (STOL) directives and contains directives for signing a cathode ray tube (CRT) on or off, calling up or clearing a display page, starting or stopping a procedure, and controlling history recording. The set of objects chosen consists of CRTs, display pages, STOL procedures, and history files. Translation from English sentences to STOL directives is done in two phases. In the first phase, an augmented transition net (ATN) parser and dictionary are used for determining grammatically correct parsings of input sentences. In the second phase, grammatically typed sentences are submitted to a forward-chaining rule-based system for interpretation and translation into equivalent MAE STOL directives. Tests of the MJI show that it is able to translate individual clearly stated sentences into the subset of directives selected for the prototype. This approach to an English language interface may be used for similarly constrained situations by modifying the MJI's dictionary and rules to reflect the change of domain.

Impurity-limited resistance and phase interference of localized impurities under quasi-one dimensional nano-structures

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

Sano, Nobuyuki, E-mail: sano@esys.tsukuba.ac.jp

2015-12-28

The impurity-limited resistance and the effect of the phase interference among localized multiple impurities in the quasi-one dimensional (quasi-1D) nanowire structures are systematically investigated under the framework of the scattering theory. We derive theoretical expressions of the impurity-limited resistance in the nanowire under the linear response regime from the Landauer formula and from the Boltzmann transport equation (BTE) with the relaxation time approximation. We show that the formula from the BTE exactly coincides with that from the Landauer approach with the weak-scattering limit when the energy spectrum of the in-coming electrons from the reservoirs is narrow and, thus, point outmore » a possibility that the distinction of the impurity-limited resistances derived from the Landauer formula and that of the BTE could be made clear. The derived formulas are applied to the quasi-1D nanowires doped with multiple localized impurities with short-range scattering potential and the validity of various approximations on the resistance are discussed. It is shown that impurity scattering becomes so strong under the nanowire structures that the weak-scattering limit breaks down in most cases. Thus, both phase interference and phase randomization simultaneously play a crucial role in determining the impurity-limited resistance even under the fully coherent framework. When the impurity separation along the wire axis direction is small, the constructive phase interference dominates and the resistance is much greater than the average resistance. As the separation becomes larger, however, it approaches the series resistance of the single-impurity resistance due to the phase randomization. Furthermore, under the uniform configuration of impurities, the space-average resistance of multiple impurities at room temperature is very close to the series resistance of the single-impurity resistance, and thus, each impurity could be regarded as an independent scattering center. The physical origin of this “self-averaging” under the fully coherent environments is attributed to the broadness of the energy spectrum of the in-coming electrons from the reservoirs.« less

Theoretical results which strengthen the hypothesis of electroweak bioenantioselection

NASA Astrophysics Data System (ADS)

Zanasi, R.; Lazzeretti, P.; Ligabue, A.; Soncini, A.

1999-03-01

It is shown via a large series of numerical tests on two fundamental organic molecules, the L-α-amino acid L-valine and the sugar precursor hydrated D-glyceraldheyde, that the ab initio calculation of the parity-violating energy shift, at the random-phase approximation level of accuracy, provides results that are about one order of magnitude larger than those obtained by means of less accurate methods employed previously. These findings would make more plausible the hypothesis of electroweak selection of natural enantiomers via the Kondepudi-Nelson scenario, or could imply that Salam phase-transition temperature is higher than previously inferred: accordingly, the hypothesis of terrestrial origin of life would become more realistic.

Dynamical instability of a driven-dissipative electron-hole condensate in the BCS-BEC crossover region

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

Hanai, Ryo; Littlewood, Peter B.; Ohashi, Yoji

2017-09-01

We present a stability analysis on a driven-dissipative electron-hole condensate in the BCS (Bardeen-Cooper-Schrieffer)-BEC (Bose-Einstein-condensation)-crossover region. Extending the combined BCS-Leggett theory with the generalized random phase approximation (GRPA) to the non-equilibrium case by employing the Keldysh formalism, we show that the pumping-and-decay of carriers causes a depairing effect on excitons. This phenomenon gives rise to an attractive interaction between excitons in the BEC regime, as well as a supercurrent that anomalously flows anti-parallel to ∇θ(r) (where θ(r) is the phase of the condensate) in the BCS regime, both leading to dynamical instabilities of an exciton-BEC.

In situ TEM observation of heterogeneous phase transition of a constrained single-crystalline Ag2Te nanowire.

PubMed

In, Juneho; Yoo, Youngdong; Kim, Jin-Gyu; Seo, Kwanyong; Kim, Hyunju; Ihee, Hyotchel; Oh, Sang Ho; Kim, Bongsoo

2010-11-10

Laterally epitaxial single crystalline Ag2Te nanowires (NWs) are synthesized on sapphire substrates by the vapor transport method. We observed the phase transitions of these Ag2Te NWs via in situ transmission electron microscopy (TEM) after covering them with Pt layers. The constrained NW shows phase transition from monoclinic to a body-centered cubic (bcc) structure near the interfaces, which is ascribed to the thermal stress caused by differences in the thermal expansion coefficients. Furthermore, we observed the nucleation and growth of bcc phase penetrating into the face-centered cubic matrix at 200 °C by high-resolution TEM in real time. Our results would provide valuable insight into how compressive stresses imposed by overlayers affect behaviors of nanodevices.

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.

An Analysis of Polynomial Chaos Approximations for Modeling Single-Fluid-Phase Flow in Porous Medium Systems

PubMed Central

Rupert, C.P.; Miller, C.T.

2008-01-01

We examine a variety of polynomial-chaos-motivated approximations to a stochastic form of a steady state groundwater flow model. We consider approaches for truncating the infinite dimensional problem and producing decoupled systems. We discuss conditions under which such decoupling is possible and show that to generalize the known decoupling by numerical cubature, it would be necessary to find new multivariate cubature rules. Finally, we use the acceleration of Monte Carlo to compare the quality of polynomial models obtained for all approaches and find that in general the methods considered are more efficient than Monte Carlo for the relatively small domains considered in this work. A curse of dimensionality in the series expansion of the log-normal stochastic random field used to represent hydraulic conductivity provides a significant impediment to efficient approximations for large domains for all methods considered in this work, other than the Monte Carlo method. PMID:18836519

Stochastic phase of ventral furrow formation in the Drosophila embryo: cellular constriction chains, mechanical feedback, and robustness

NASA Astrophysics Data System (ADS)

Blawzdziewicz, Jerzy; Gao, Guo-Jie J.; Holcomb, Michael C.; Thomas, Jeffrey H.

The key process giving rise to ventral furrow formation (VFF) in Drosophila embryo is apical constriction of cells in the ventral region. The constriction produces negative spontaneous curvature of the cell layer. During the initial slower phase of VFF approximately 40% of cells constrict in a seemingly random order. We show that this initial phase of VFF does not depend on random uncorrelated events. Instead, constricted cell apices form well-defined correlated structures, i.e., cellular constriction chains (CCCs), indicative of strong spatial and directional correlations between the constriction events. We argue that this chain formation is a signature of mechanical signaling that coordinates apical constrictions through tensile stress. To gain insights into the mechanisms involved in this correlated constriction process, we propose an active granular fluid (AGF) model which considers a tissue as a collection of mechanically active, stress-responsive objects. Our AGF molecular dynamics simulations show that cell constriction sensitivity to tensile stress results in formation of CCCs whereas compressive-stress sensitivity leads to compact constricted cell clusters; the CCCs, which can penetrate less-active regions, increase the robustness of the VFF process.

Cell cycle stage-specific differential expression of topoisomerase I in tobacco BY-2 cells and its ectopic overexpression and knockdown unravels its crucial role in plant morphogenesis and development.

PubMed

Singh, Badri Nath; Mudgil, Yashwanti; John, Riffat; Achary, V Mohan Murali; Tripathy, Manas Kumar; Sopory, Sudhir K; Reddy, Malireddy K; Kaul, Tanushri

2015-11-01

DNA topoisomerases catalyze the inter-conversion of different topological forms of DNA. Cell cycle coupled differential accumulation of topoisomerase I (Topo I) revealed biphasic expression maximum at S-phase and M/G1-phase of cultured synchronized tobacco BY-2 cells. This suggested its active role in resolving topological constrains during DNA replication (S-phase) and chromosome decondensation (M/G1 phase). Immuno-localization revealed high concentrations of Topo I in nucleolus. Propidium iodide staining and Br-UTP incorporation patterns revealed direct correlation between immunofluorescence intensity and rRNA transcription activity within nucleolus. Immuno-stained chromosomes during metaphase and anaphase suggested possible role of Topo I in resolving topological constrains during mitotic chromosome condensation. Inhibitor studies showed that in comparison to Topo I, Topo II was essential in resolving topological constrains during chromosome condensation. Probably, Topo II substituted Topo I functioning to certain extent during chromosome condensation, but not vice-versa. Transgenic Topo I tobacco lines revealed morphological abnormalities and highlighted its crucial role in plant morphogenesis and development. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

A Comparison of Three Random Number Generators for Aircraft Dynamic Modeling Applications

NASA Technical Reports Server (NTRS)

Grauer, Jared A.

2017-01-01

Three random number generators, which produce Gaussian white noise sequences, were compared to assess their suitability in aircraft dynamic modeling applications. The first generator considered was the MATLAB (registered) implementation of the Mersenne-Twister algorithm. The second generator was a website called Random.org, which processes atmospheric noise measured using radios to create the random numbers. The third generator was based on synthesis of the Fourier series, where the random number sequences are constructed from prescribed amplitude and phase spectra. A total of 200 sequences, each having 601 random numbers, for each generator were collected and analyzed in terms of the mean, variance, normality, autocorrelation, and power spectral density. These sequences were then applied to two problems in aircraft dynamic modeling, namely estimating stability and control derivatives from simulated onboard sensor data, and simulating flight in atmospheric turbulence. In general, each random number generator had good performance and is well-suited for aircraft dynamic modeling applications. Specific strengths and weaknesses of each generator are discussed. For Monte Carlo simulation, the Fourier synthesis method is recommended because it most accurately and consistently approximated Gaussian white noise and can be implemented with reasonable computational effort.

Phase space flows for non-Hamiltonian systems with constraints

NASA Astrophysics Data System (ADS)

Sergi, Alessandro

2005-09-01

In this paper, non-Hamiltonian systems with holonomic constraints are treated by a generalization of Dirac’s formalism. Non-Hamiltonian phase space flows can be described by generalized antisymmetric brackets or by general Liouville operators which cannot be derived from brackets. Both situations are treated. In the first case, a Nosé-Dirac bracket is introduced as an example. In the second one, Dirac’s recipe for projecting out constrained variables from time translation operators is generalized and then applied to non-Hamiltonian linear response. Dirac’s formalism avoids spurious terms in the response function of constrained systems. However, corrections coming from phase space measure must be considered for general perturbations.

A Coordinated X-Ray and Optical Campaign of the Nearest Massive Eclipsing Binary, δ Orionis Aa. III. Analysis of Optical Photometric (MOST) and Spectroscopic (Ground-based) Variations

NASA Astrophysics Data System (ADS)

Pablo, Herbert; Richardson, Noel D.; Moffat, Anthony F. J.; Corcoran, Michael; Shenar, Tomer; Benvenuto, Omar; Fuller, Jim; Nazé, Yaël; Hoffman, Jennifer L.; Miroshnichenko, Anatoly; Maíz Apellániz, Jesús; Evans, Nancy; Eversberg, Thomas; Gayley, Ken; Gull, Ted; Hamaguchi, Kenji; Hamann, Wolf-Rainer; Henrichs, Huib; Hole, Tabetha; Ignace, Richard; Iping, Rosina; Lauer, Jennifer; Leutenegger, Maurice; Lomax, Jamie; Nichols, Joy; Oskinova, Lida; Owocki, Stan; Pollock, Andy; Russell, Christopher M. P.; Waldron, Wayne; Buil, Christian; Garrel, Thierry; Graham, Keith; Heathcote, Bernard; Lemoult, Thierry; Li, Dong; Mauclaire, Benjamin; Potter, Mike; Ribeiro, Jose; Matthews, Jaymie; Cameron, Chris; Guenther, David; Kuschnig, Rainer; Rowe, Jason; Rucinski, Slavek; Sasselov, Dimitar; Weiss, Werner

2015-08-01

We report on both high-precision photometry from the Microvariability and Oscillations of Stars (MOST) space telescope and ground-based spectroscopy of the triple system δ Ori A, consisting of a binary O9.5II+early-B (Aa1 and Aa2) with P = 5.7 days, and a more distant tertiary (O9 IV P\\gt 400 years). This data was collected in concert with X-ray spectroscopy from the Chandra X-ray Observatory. Thanks to continuous coverage for three weeks, the MOST light curve reveals clear eclipses between Aa1 and Aa2 for the first time in non-phased data. From the spectroscopy, we have a well-constrained radial velocity (RV) curve of Aa1. While we are unable to recover RV variations of the secondary star, we are able to constrain several fundamental parameters of this system and determine an approximate mass of the primary using apsidal motion. We also detected second order modulations at 12 separate frequencies with spacings indicative of tidally influenced oscillations. These spacings have never been seen in a massive binary, making this system one of only a handful of such binaries that show evidence for tidally induced pulsations.

Autonomous Modeling, Statistical Complexity and Semi-annealed Treatment of Boolean Networks

NASA Astrophysics Data System (ADS)

Gong, Xinwei

This dissertation presents three studies on Boolean networks. Boolean networks are a class of mathematical systems consisting of interacting elements with binary state variables. Each element is a node with a Boolean logic gate, and the presence of interactions between any two nodes is represented by directed links. Boolean networks that implement the logic structures of real systems are studied as coarse-grained models of the real systems. Large random Boolean networks are studied with mean field approximations and used to provide a baseline of possible behaviors of large real systems. This dissertation presents one study of the former type, concerning the stable oscillation of a yeast cell-cycle oscillator, and two studies of the latter type, respectively concerning the statistical complexity of large random Boolean networks and an extension of traditional mean field techniques that accounts for the presence of short loops. In the cell-cycle oscillator study, a novel autonomous update scheme is introduced to study the stability of oscillations in small networks. A motif that corrects pulse-growing perturbations and a motif that grows pulses are identified. A combination of the two motifs is capable of sustaining stable oscillations. Examining a Boolean model of the yeast cell-cycle oscillator using an autonomous update scheme yields evidence that it is endowed with such a combination. Random Boolean networks are classified as ordered, critical or disordered based on their response to small perturbations. In the second study, random Boolean networks are taken as prototypical cases for the evaluation of two measures of complexity based on a criterion for optimal statistical prediction. One measure, defined for homogeneous systems, does not distinguish between the static spatial inhomogeneity in the ordered phase and the dynamical inhomogeneity in the disordered phase. A modification in which complexities of individual nodes are calculated yields vanishing complexity values for networks in the ordered and critical phases and for highly disordered networks, peaking somewhere in the disordered phase. Individual nodes with high complexity have, on average, a larger influence on the system dynamics. Lastly, a semi-annealed approximation that preserves the correlation between states at neighboring nodes is introduced to study a social game-inspired network model in which all links are bidirectional and all nodes have a self-input. The technique developed here is shown to yield accurate predictions of distribution of players' states, and accounts for some nontrivial collective behavior of game theoretic interest.

Photoionization of calcium

NASA Astrophysics Data System (ADS)

Deshmukh, Pranawa C.; Johnson, W. R.

1983-01-01

A study of the photoionization of calcium in the relativistic random-phase approximation is reported. Predictions of photoionization cross sections, angular distribution asymmetry parameters, and spin-polarization parameters for the 4s, 3p, and 3s subshells are made with emphasis on the energy region above the 3p32 threshold where multiconfigurational effects are not expected to be very important. Autoionization resonances below the 3s threshold and between the 3p32 and 3p12 thresholds are analyzed using the relativistic multichannel quantum-defect theory.

Electron Correlation from the Adiabatic Connection for Multireference Wave Functions

NASA Astrophysics Data System (ADS)

Pernal, Katarzyna

2018-01-01

An adiabatic connection (AC) formula for the electron correlation energy is derived for a broad class of multireference wave functions. The AC expression recovers dynamic correlation energy and assures a balanced treatment of the correlation energy. Coupling the AC formalism with the extended random phase approximation allows one to find the correlation energy only from reference one- and two-electron reduced density matrices. If the generalized valence bond perfect pairing model is employed a simple closed-form expression for the approximate AC formula is obtained. This results in the overall M5 scaling of the computation cost making the method one of the most efficient multireference approaches accounting for dynamic electron correlation also for the strongly correlated systems.

Dependence of structure factor and correlation energy on the width of electron wires

NASA Astrophysics Data System (ADS)

Ashokan, Vinod; Bala, Renu; Morawetz, Klaus; Pathak, Kare Narain

2018-02-01

The structure factor and correlation energy of a quantum wire of thickness b ≪ a B are studied in random phase approximation (RPA) and for the less investigated region r s < 1. Using the single-loop approximation, analytical expressions of the structure factor are obtained. The exact expressions for the exchange energy are also derived for a cylindrical and harmonic wire. The correlation energy in RPA is found to be represented by ɛ c ( b, r s ) = α( r s )/ b + β( r s ) ln( b) + η( r s ), for small b and high densities. For a pragmatic width of the wire, the correlation energy is in agreement with the quantum Monte Carlo simulation data.

Discontinuing Oxytocin Infusion in the Active Phase of Labor: A Systematic Review and Meta-analysis.

PubMed

Saccone, Gabriele; Ciardulli, Andrea; Baxter, Jason K; Quiñones, Joanne N; Diven, Liany C; Pinar, Bor; Maruotti, Giuseppe Maria; Martinelli, Pasquale; Berghella, Vincenzo

2017-11-01

To evaluate the benefits and harms of discontinuation of oxytocin after the active phase of labor is reached. Electronic databases (ie, MEDLINE, Scopus, ClinicalTrials.gov, EMBASE, ScienceDirect, the Cochrane Library at the CENTRAL Register of Controlled Trials, Scielo) were searched from their inception until April 2017. We included all randomized controlled trials comparing discontinuation (ie, intervention group) and continuation (ie, control group) of oxytocin infusion after the active phase of labor is reached, either after induction or augmentation of labor. Discontinuation of oxytocin infusion was defined as discontinuing oxytocin infusion when the active phase of labor was achieved. Continuation of oxytocin infusion was defined as continuing oxytocin infusion until delivery. Only trials in singleton gestations with vertex presentation at term were included. The primary outcome was the incidence of cesarean delivery. Nine randomized controlled trials, including 1,538 singleton gestations, were identified as relevant and included in the meta-analysis. All nine trials included only women undergoing induction of labor. In the discontinuation group, if arrest of labor occurred, usually defined as no cervical dilation in 2 hours or inadequate uterine contractions for 2 hours or more, oxytocin infusion was restarted. Women in the control group had oxytocin continued until delivery usually at the same dose used at the time the active phase was reached. Women who were randomized to have discontinuation of oxytocin infusion after the active phase of labor was reached had a significantly lower risk of cesarean delivery (9.3% compared with 14.7%; relative risk 0.64, 95% CI 0.48-0.87) and of uterine tachysystole (6.2% compared with 13.1%; relative risk 0.53, 95% CI 0.33-0.84) compared with those who were randomized to have continuation of oxytocin infusion until delivery. Discontinuation of oxytocin infusion was associated with an increase in the duration of the active phase of labor (mean difference 27.65 minutes, 95% CI 3.94-51.36). In singleton gestations with cephalic presentation at term undergoing induction, discontinuation of oxytocin infusion after the active phase of labor at approximately 5 cm is reached reduces the risk of cesarean delivery and of uterine tachysystole compared with continuous oxytocin infusion. Given this evidence, discontinuation of oxytocin infusion once the active stage of labor is established in women being induced should be considered as an alternative management plan.

Rapid and Robust Cross-Correlation-Based Seismic Phase Identification Using an Approximate Nearest Neighbor Method

NASA Astrophysics Data System (ADS)

Tibi, R.; Young, C. J.; Gonzales, A.; Ballard, S.; Encarnacao, A. V.

2016-12-01

The matched filtering technique involving the cross-correlation of a waveform of interest with archived signals from a template library has proven to be a powerful tool for detecting events in regions with repeating seismicity. However, waveform correlation is computationally expensive, and therefore impractical for large template sets unless dedicated distributed computing hardware and software are used. In this study, we introduce an Approximate Nearest Neighbor (ANN) approach that enables the use of very large template libraries for waveform correlation without requiring a complex distributed computing system. Our method begins with a projection into a reduced dimensionality space based on correlation with a randomized subset of the full template archive. Searching for a specified number of nearest neighbors is accomplished by using randomized K-dimensional trees. We used the approach to search for matches to each of 2700 analyst-reviewed signal detections reported for May 2010 for the IMS station MKAR. The template library in this case consists of a dataset of more than 200,000 analyst-reviewed signal detections for the same station from 2002-2014 (excluding May 2010). Of these signal detections, 60% are teleseismic first P, and 15% regional phases (Pn, Pg, Sn, and Lg). The analyses performed on a standard desktop computer shows that the proposed approach performs the search of the large template libraries about 20 times faster than the standard full linear search, while achieving recall rates greater than 80%, with the recall rate increasing for higher correlation values. To decide whether to confirm a match, we use a hybrid method involving a cluster approach for queries with two or more matches, and correlation score for single matches. Of the signal detections that passed our confirmation process, 52% were teleseismic first P, and 30% were regional phases.

In-Flight Vibration Environment of the NASA F-15B Flight Test Fixture

NASA Technical Reports Server (NTRS)

Corda, Stephen; Franz, Russell J.; Blanton, James N.; Vachon, M. Jake; DeBoer, James B.

2002-01-01

Flight vibration data are analyzed for the NASA F-15B/Flight Test Fixture II test bed. Understanding the in-flight vibration environment benefits design and integration of experiments on the test bed. The power spectral density (PSD) of accelerometer flight data is analyzed to quantify the in-flight vibration environment from a frequency of 15 Hz to 1325 Hz. These accelerometer data are analyzed for typical flight conditions and maneuvers. The vibration data are compared to flight-qualification random vibration test standards. The PSD levels in the lateral axis generally are greater than in the longitudinal and vertical axes and decrease with increasing frequency. At frequencies less than approximately 40 Hz, the highest PSD levels occur during takeoff and landing. Peaks in the PSD data for the test fixture occur at approximately 65, 85, 105-110, 200, 500, and 1000 Hz. The pitch-pulse and 2-g turn maneuvers produce PSD peaks at 115 Hz. For cruise conditions, the PSD level of the 85-Hz peak is greatest for transonic flight at Mach 0.9. From 400 Hz to 1325 Hz, the takeoff phase has the highest random vibration levels. The flight-measured vibration levels generally are substantially lower than the random vibration test curve.

The topology of large-scale structure. V - Two-dimensional topology of sky maps

NASA Astrophysics Data System (ADS)

Gott, J. R., III; Mao, Shude; Park, Changbom; Lahav, Ofer

1992-01-01

A 2D algorithm is applied to observed sky maps and numerical simulations. It is found that when topology is studied on smoothing scales larger than the correlation length, the topology is approximately in agreement with the random phase formula for the 2D genus-threshold density relation, G2(nu) varies as nu(e) exp-nu-squared/2. Some samples show small 'meatball shifts' similar to those seen in corresponding 3D observational samples and similar to those produced by biasing in cold dark matter simulations. The observational results are thus consistent with the standard model in which the structure in the universe today has grown from small fluctuations caused by random quantum noise in the early universe.

On the consistency of scale among experiments, theory, and simulation

DOE PAGES

McClure, James E.; Dye, Amanda L.; Miller, Cass T.; ...

2017-02-20

As a tool for addressing problems of scale, we consider an evolving approach known as the thermodynamically constrained averaging theory (TCAT), which has broad applicability to hydrology. We consider the case of modeling of two-fluid-phase flow in porous media, and we focus on issues of scale as they relate to various measures of pressure, capillary pressure, and state equations needed to produce solvable models. We apply TCAT to perform physics-based data assimilation to understand how the internal behavior influences the macroscale state of two-fluid porous medium systems. A microfluidic experimental method and a lattice Boltzmann simulation method are used to examinemore » a key deficiency associated with standard approaches. In a hydrologic process such as evaporation, the water content will ultimately be reduced below the irreducible wetting-phase saturation determined from experiments. This is problematic since the derived closure relationships cannot predict the associated capillary pressures for these states. Here, we demonstrate that the irreducible wetting-phase saturation is an artifact of the experimental design, caused by the fact that the boundary pressure difference does not approximate the true capillary pressure. Using averaging methods, we compute the true capillary pressure for fluid configurations at and below the irreducible wetting-phase saturation. Results of our analysis include a state function for the capillary pressure expressed as a function of fluid saturation and interfacial area.« less

On the consistency of scale among experiments, theory, and simulation

NASA Astrophysics Data System (ADS)

McClure, James E.; Dye, Amanda L.; Miller, Cass T.; Gray, William G.

2017-02-01

As a tool for addressing problems of scale, we consider an evolving approach known as the thermodynamically constrained averaging theory (TCAT), which has broad applicability to hydrology. We consider the case of modeling of two-fluid-phase flow in porous media, and we focus on issues of scale as they relate to various measures of pressure, capillary pressure, and state equations needed to produce solvable models. We apply TCAT to perform physics-based data assimilation to understand how the internal behavior influences the macroscale state of two-fluid porous medium systems. A microfluidic experimental method and a lattice Boltzmann simulation method are used to examine a key deficiency associated with standard approaches. In a hydrologic process such as evaporation, the water content will ultimately be reduced below the irreducible wetting-phase saturation determined from experiments. This is problematic since the derived closure relationships cannot predict the associated capillary pressures for these states. We demonstrate that the irreducible wetting-phase saturation is an artifact of the experimental design, caused by the fact that the boundary pressure difference does not approximate the true capillary pressure. Using averaging methods, we compute the true capillary pressure for fluid configurations at and below the irreducible wetting-phase saturation. Results of our analysis include a state function for the capillary pressure expressed as a function of fluid saturation and interfacial area.

Dirac-phase thermal leptogenesis in the extended type-I seesaw model

NASA Astrophysics Data System (ADS)

Dolan, Matthew J.; Dutka, Tomasz P.; Volkas, Raymond R.

2018-06-01

Motivated by the fact that δCP, the Dirac phase in the PMNS matrix, is the only CP-violating parameter in the leptonic sector that can be measured in neutrino oscillation experiments, we examine the possibility that it is the dominant source of CP violation for leptogenesis caused by the out-of-equilibrium decays of heavy singlet fermions. We do so within a low-scale extended type-I seesaw model, featuring two Standard Model singlet fermions per family, in which lepton number is approximately conserved such that the heavy singlet neutrinos are pseudo-Dirac. We find that this produces a predictive model of leptogenesis. Our results show that for low-scale thermal leptogenesis, a pure inverse-seesaw scenario fails to produce the required asymmetry, even accounting for resonance effects, because wash-out processes are too efficient. Dirac-phase leptogenesis is, however, possible when the linear seesaw term is switched on, with the aid of the resonance contributions naturally present in the model. Degenerate and hierarchical spectra are considered—both can achieve δCP-leptogenesis, although the latter is more constrained. Finally, although unable to probe the parameter space of Dirac-phase leptogenesis, the contributions to unitarity violation of the PMNS matrix, collider constraints and charged-lepton flavour-violating processes are calculated and we further estimate the impact of the future experiments MEG-II and COMET for such models.

Some Aspects of the Investigation of Random Vibration Influence on Ride Comfort

NASA Astrophysics Data System (ADS)

DEMIĆ, M.; LUKIĆ, J.; MILIĆ, Ž.

2002-05-01

Contemporary vehicles must satisfy high ride comfort criteria. This paper attempts to develop criteria for ride comfort improvement. The highest loading levels have been found to be in the vertical direction and the lowest in lateral direction in passenger cars and trucks. These results have formed the basis for further laboratory and field investigations. An investigation of the human body behaviour under random vibrations is reported in this paper. The research included two phases; biodynamic research and ride comfort investigation. A group of 30 subjects was tested. The influence of broadband random vibrations on the human body was examined through the seat-to-head transmissibility function (STHT). Initially, vertical and fore and aft vibrations were considered. Multi-directional vibration was also investigated. In the biodynamic research, subjects were exposed to 0·55, 1·75 and 2·25 m/s2 r.m.s. vibration levels in the 0·5- 40 Hz frequency domain. The influence of sitting position on human body behaviour under two axial vibrations was also examined. Data analysis showed that the human body behaviour under two-directional random vibrations could not be approximated by superposition of one-directional random vibrations. Non-linearity of the seated human body in the vertical and fore and aft directions was observed. Seat-backrest angle also influenced STHT. In the second phase of experimental research, a new method for the assessment of the influence of narrowband random vibration on the human body was formulated and tested. It included determination of equivalent comfort curves in the vertical and fore and aft directions under one- and two-directional narrowband random vibrations. Equivalent comfort curves for durations of 2·5, 4 and 8 h were determined.

Plasmon modes of bilayer molybdenum disulfide: a density functional study

NASA Astrophysics Data System (ADS)

Torbatian, Z.; Asgari, R.

2017-11-01

We explore the collective electronic excitations of bilayer molybdenum disulfide (MoS2) using density functional theory together with random phase approximation. The many-body dielectric function and electron energy-loss spectra are calculated using an ab initio based model involving material-realistic physical properties. The electron energy-loss function of the bilayer MoS2 system is found to be sensitive to either electron or hole doping and this is due to the fact that the Kohn-Sham band dispersions are not symmetric for energies above and below the zero Fermi level. Three plasmon modes are predicted, a damped high-energy mode, one optical mode (in-phase mode) for which the plasmon dispersion exhibits \\sqrt q in the long wavelength limit originating from low-energy electron scattering and finally a highly damped acoustic mode (out-of-phase mode).

Molecular Interaction Control in Diblock Copolymer Blends and Multiblock Copolymers with Opposite Phase Behaviors

NASA Astrophysics Data System (ADS)

Cho, Junhan

2014-03-01

Here we show how to control molecular interactions via mixing AB and AC diblock copolymers, where one copolymer exhibits upper order-disorder transition and the other does lower disorder-order transition. Linear ABC triblock copolymers possessing both barotropic and baroplastic pairs are also taken into account. A recently developed random-phase approximation (RPA) theory and the self-consistent field theory (SCFT) for general compressible mixtures are used to analyze stability criteria and morphologies for the given systems. It is demonstrated that the copolymer systems can yield a variety of phase behaviors in their temperature and pressure dependence upon proper mixing conditions and compositions, which is caused by the delicate force fields generated in the systems. We acknowledge the financial support from National Research Foundation of Korea and Center for Photofunctional Energy Materials.

A seamless phase IIB/III adaptive outcome trial: design rationale and implementation challenges.

PubMed

Chen, Y H Joshua; Gesser, Richard; Luxembourg, Alain

2015-02-01

The licensed four-valent prophylactic human papillomavirus vaccine is highly efficacious in preventing cervical, vulvar, vaginal, and anal cancers and related precancers caused by human papillomavirus types 6, 11, 16, and 18. These four types account for approximately 70% of cervical cancers. A nine-valent human papillomavirus vaccine, including the four original types (6, 11, 16, and 18) plus the next five most prevalent types in cervical cancer (31, 33, 45, 52, and 58) could provide approximately 90% overall cervical cancer coverage. To expedite the nine-valent human papillomavirus vaccine clinical development, an adaptive, seamless Phase IIB/III outcome trial with ∼ 15,000 subjects was conducted to facilitate dose formulation selection and provide pivotal evidence of safety and efficacy for regulatory registrations. We discuss the design rationale and implementation challenges of the outcome trial, focusing on the adaptive feature of the seamless Phase IIB/III design. Subjects were enrolled in two parts (Part A and Part B). Approximately 1240 women, 16-26 years of age, were enrolled in Part A for Phase IIB evaluation and equally randomized to one of three dose formulations of the nine-valent human papillomavirus vaccine or the four-valent human papillomavirus vaccine (active control). Based on an interim analysis of immunogenicity and safety, one dose formulation of the nine-valent human papillomavirus vaccine was selected for evaluation in the Phase III part of the study. Subjects enrolled in Part A who received the selected dose formulation of the nine-valent human papillomavirus vaccine or four-valent human papillomavirus vaccine continued to be followed up and contributed to the final efficacy and safety analyses. In addition, ∼ 13,400 women 16-26 years of age were enrolled in Part B, randomized to nine-valent human papillomavirus vaccine at the selected dose formulation or four-valent human papillomavirus vaccine, and followed for immunogenicity, efficacy, and safety. A seamless Phase IIB/III design was justified by the extensive pre-existing knowledge of the licensed four-valent human papillomavirus vaccine and the development objectives for the nine-valent human papillomavirus vaccine. Subjects enrolled in Part A who received either the selected nine-valent human papillomavirus formulation or four-valent human papillomavirus vaccine contributed ∼ 10% of person-years of follow-up due to its earlier start-thereby maximizing the overall efficiency of the trial. Some of the challenges encountered in the implementation of the adaptive design included practical considerations during Phase IIB formulation selection by internal and external committees, End-of-Phase II discussion with health authorities and managing changes in the assay for immunological endpoints. Application of the experience and lesson learned from this seamless adaptive design to other clinical programs may depend on case-by-case consideration. A seamless Phase IIB/III adaptive design was successfully implemented in this large outcome study. The development time of the second-generation nine-valent human papillomavirus vaccine was shortened due to improved statistical efficiency. © The Author(s) 2014.

Using lod scores to detect sex differences in male-female recombination fractions.

PubMed

Feenstra, B; Greenberg, D A; Hodge, S E

2004-01-01

Human recombination fraction (RF) can differ between males and females, but investigators do not always know which disease genes are located in genomic areas of large RF sex differences. Knowledge of RF sex differences contributes to our understanding of basic biology and can increase the power of a linkage study, improve gene localization, and provide clues to possible imprinting. One way to detect these differences is to use lod scores. In this study we focused on detecting RF sex differences and answered the following questions, in both phase-known and phase-unknown matings: (1) How large a sample size is needed to detect a RF sex difference? (2) What are "optimal" proportions of paternally vs. maternally informative matings? (3) Does ascertaining nonoptimal proportions of paternally or maternally informative matings lead to ascertainment bias? Our results were as follows: (1) We calculated expected lod scores (ELODs) under two different conditions: "unconstrained," allowing sex-specific RF parameters (theta(female), theta(male)); and "constrained," requiring theta(female) = theta(male). We then examined the DeltaELOD (identical with difference between maximized constrained and unconstrained ELODs) and calculated minimum sample sizes required to achieve statistically significant DeltaELODs. For large RF sex differences, samples as small as 10 to 20 fully informative matings can achieve statistical significance. We give general sample size guidelines for detecting RF differences in informative phase-known and phase-unknown matings. (2) We defined p as the proportion of paternally informative matings in the dataset; and the optimal proportion p(circ) as that value of p that maximizes DeltaELOD. We determined that, surprisingly, p(circ) does not necessarily equal (1/2), although it does fall between approximately 0.4 and 0.6 in most situations. (3) We showed that if p in a sample deviates from its optimal value, no bias is introduced (asymptotically) to the maximum likelihood estimates of theta(female) and theta(male), even though ELOD is reduced (see point 2). This fact is important because often investigators cannot control the proportions of paternally and maternally informative families. In conclusion, it is possible to reliably detect sex differences in recombination fraction. Copyright 2004 S. Karger AG, Basel

SS 433: Total Coverage of 162-Day Precession Phase in Four Years

NASA Technical Reports Server (NTRS)

Band, David L.

1997-01-01

The observations prior to AO-4 covered a number of precession phases, leaving a gap at phase 0.8. In addition, ASCA and previous observations of SS 433 did not observe the spectrum above approx. 10 keV, and consequently the continuum underlying the spectral lines was poorly constrained. Therefore RXTE observations were scheduled for April 1997 to extend the observed spectrum to higher energies; these observations were planned to sample the X-ray lightcurve during the 13.08 day binary period, concentrating on the eclipse of the compact object which emits the jets. We proposed and were awarded ASCA observations simultaneous with the RXTE observations; the purpose of the ASCA observations was to provide greater spectral resolution at the low end of the spectrum observed by RXTE, and to complete the phase coverage of SS 433. As a result of scheduling difficulties early in the mission the RXTE observations were confined to a much shorter time range than originally planned, April 18-91 1997. Optical observations of SS 433 were performed at a number of observatories. The ASCA observations occurred from April 18 13:10 (UT) to April 21 13:20 (UT) for a total effective exposure of 120 ks. The continuum X-ray light curve shows that the ASCA observations started shortly before the ingress into the X-ray partial eclipse, and ended approximately at the time of the egress. Light curves were also obtained for the prominent Fe emission lines in the blue-shifted frame (approaching jet), red-shifted frame (receding jet), and the stationary frame (fluorescent line from the ambient matter). Through the eclipse mapping technique using the light curves, the parameters of the jet emission model were constrained, showing that the kinetic power in the jet exceeds 104? erg s-l. If the energy source is gravitational accretion, as is commonly believed, the derived l;inetic power implies extremely supercritical accretion even for a black; hole with 10M. These results will be described more fully in a major presentation of all the ASCA observations of SS 433.

Thermal and energetic constraints on ectotherm abundance: A global test using lizards

USGS Publications Warehouse

Buckley, L.B.; Rodda, G.H.; Jetz, W.

2008-01-01

Population densities of birds and mammals have been shown to decrease with body mass at approximately the same rate as metabolic rates increase, indicating that energetic needs constrain endotherm population densities. In ectotherms, the exponential increase of metabolic rate with body temperature suggests that environmental temperature may additionally constrain population densities. Here we test simple bioenergetic models for an ecologically important group of ectothermic vertebrates by examining 483 lizard populations. We find that lizard population densities decrease as a power law of body mass with a slope approximately inverse to the slope of the relationship between metabolic rates and body mass. Energy availability should limit population densities. As predicted, environmental productivity has a positive effect on lizard density, strengthening the relationship between lizard density and body mass. In contrast, the effect of environmental temperature is at most weak due to behavioral thermoregulation, thermal evolution, or the temperature dependence of ectotherm performance. Our results provide initial insights into how energy needs and availability differentially constrain ectotherm and endotherm density across broad spatial scales. ?? 2008 by the Ecological Society of America.

Thermal and energetic constraints on ectotherm abundance: a global test using lizards.

PubMed

Buckley, Lauren B; Rodda, Gordon H; Jetz, Walter

2008-01-01

Population densities of birds and mammals have been shown to decrease with body mass at approximately the same rate as metabolic rates increase, indicating that energetic needs constrain endotherm population densities. In ectotherms, the exponential increase of metabolic rate with body temperature suggests that environmental temperature may additionally constrain population densities. Here we test simple bioenergetic models for an ecologically important group of ectothermic vertebrates by examining 483 lizard populations. We find that lizard population densities decrease as a power law of body mass with a slope approximately inverse to the slope of the relationship between metabolic rates and body mass. Energy availability should limit population densities. As predicted, environmental productivity has a positive effect on lizard density, strengthening the relationship between lizard density and body mass. In contrast, the effect of environmental temperature is at most weak due to behavioral thermoregulation, thermal evolution, or the temperature dependence of ectotherm performance. Our results provide initial insights into how energy needs and availability differentially constrain ectotherm and endotherm density across broad spatial scales.

Chance-constrained economic dispatch with renewable energy and storage

DOE PAGES

Cheng, Jianqiang; Chen, Richard Li-Yang; Najm, Habib N.; ...

2018-04-19

Increased penetration of renewables, along with uncertainties associated with them, have transformed how power systems are operated. High levels of uncertainty means that it is not longer possible to guarantee operational feasibility with certainty, instead constraints are required to be satisfied with high probability. We present a chance-constrained economic dispatch model that efficiently integrates energy storage and high renewable penetration to satisfy renewable portfolio requirements. Specifically, it is required that wind energy contributes at least a prespecified ratio of the total demand and that the scheduled wind energy is dispatchable with high probability. We develop an approximated partial sample averagemore » approximation (PSAA) framework to enable efficient solution of large-scale chanceconstrained economic dispatch problems. Computational experiments on the IEEE-24 bus system show that the proposed PSAA approach is more accurate, closer to the prescribed tolerance, and about 100 times faster than sample average approximation. Improved efficiency of our PSAA approach enables solution of WECC-240 system in minutes.« less

Chance-constrained economic dispatch with renewable energy and storage

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

Cheng, Jianqiang; Chen, Richard Li-Yang; Najm, Habib N.

Increased penetration of renewables, along with uncertainties associated with them, have transformed how power systems are operated. High levels of uncertainty means that it is not longer possible to guarantee operational feasibility with certainty, instead constraints are required to be satisfied with high probability. We present a chance-constrained economic dispatch model that efficiently integrates energy storage and high renewable penetration to satisfy renewable portfolio requirements. Specifically, it is required that wind energy contributes at least a prespecified ratio of the total demand and that the scheduled wind energy is dispatchable with high probability. We develop an approximated partial sample averagemore » approximation (PSAA) framework to enable efficient solution of large-scale chanceconstrained economic dispatch problems. Computational experiments on the IEEE-24 bus system show that the proposed PSAA approach is more accurate, closer to the prescribed tolerance, and about 100 times faster than sample average approximation. Improved efficiency of our PSAA approach enables solution of WECC-240 system in minutes.« less

Absolute proper motions to B approximately 22.5: Evidence for kimematical substructure in halo field stars

NASA Technical Reports Server (NTRS)

Majewski, Steven R.; Munn, Jeffrey A.; Hawley, Suzanne L.

1994-01-01

Radial velocities have been obtained for six of nine stars identified on the basis of similar distances and common, extreme transverse velocities in the proper motion survey of Majewski (1992) as a candidate halo moving group at the north Galactic pole. These radial velocities correspond to velocities perpendicular to the Galactic plane which span the range -48 +/- 21 to -128 +/- 9 km/sec (but a smaller range, -48 +/- 21 to -86 +/- 19 km/sec, when only our own measurements are considered), significantly different than the expected distribution, with mean 0 km/sec, for a random sample of either halo or thick disk stars. The probability of picking such a set of radial velocities at random is less than 1%. Thus the radial velocity data support the hypothesis that these stars constitute part of a halo moving group or star stream at a distance of approximately 4-5 kpc above the Galactic plane. If real, this moving group is evidence for halo phase space substructure which may be the fossil remains of a destroyed globular cluster, Galactic satellite, or Searle & Zinn (1978) 'fragment.'

First-Principles calculations of Piezoelectricity and Polarization Rotation in Pb(Zr_0.5Ti_0.5)O_3

NASA Astrophysics Data System (ADS)

Wu, Zhigang; Krakauer, Henry

2002-03-01

Recent experimental and theoretical work [1-3] indicates that polarization rotation via a monoclinic phase at the morphotropic phase boundary in PZT [1-3] is responsible for its large piezoelectric response. We investigate this using the first-principles LAPW+LO method within the local density functional approximation. Calculated internal coordinates of monoclinic PZT(50/50) are in good agreement with PZT(52/48) experimental data [4]. Bulk spontaneous polarization and piezoelectric stress tensor elements of chemically ordered PbZr_1/2Ti_1/2O3 (PZT 50/50) are determined from relaxed ground-state Berry's phase calculations while constraining the symmetry to monoclinic Cm. Large piezoelectric response is found as the polarization rotates within the Cm mirror plane. These first-principles results show that polarization rotation can explain the large measured piezoelectric constants in ceramic PZT. * Supported by ONR. [1] H. Fu and Cohen, Nature 403, 281 (2000). [2] B. Noheda, D.E. Cox, G. Shirane, S-E. Park, L.E. Cross and Z. Zhong Phys. Rev. Lett. 86, 3891 (2001). [3] L. Bellaiche, A. Garcia and D. Vanderbilt, Phys. Rev. Lett. 84, 5427 (2000). [4] B. Noheda, J.A. Gonzalo, L.E. Cross, R. Guo, S.-E. Park, D.E. Cox and G. Shirane, Phys. Rev. B 61, 8687 (2000).

Mobile, stationary and mixed phase tracers: consequences to sea ice biogeochemistry

NASA Astrophysics Data System (ADS)

Jeffery, N.; Elliott, S.; Hunke, E. C.; Deal, C.; Jin, M.

2016-02-01

Models of brine motion in sea ice have offered mechanisms for transporting biogeochemical compounds vertically within the ice and between the ice-ocean interface. In these models, sea ice microstructure and/or gross physical properties determine the resupply of nitrate, for example, to sympagic algae and that resupply, in large part, constrains sea ice primary production. The assumption of brine transport models is that the transported matter exists in a purely mobile phase within the ice brine channels. As a result, non-reacting, mobile phase tracers evolve like salinity in dynamic sea ice. Field and laboratory observations indicate that this is a good approximation for the primary algal macronutrients - nitrate, silicate and phosphate, but clear deviations are evident for ammonium, micronutrients such as iron, humic substances, algal bi-products such as gels and extracellular polysaccharides, and the algae themselves. This wide range of biogeochemical matter resists brine motion and is present in both the mobile and stationary phases, i.e. these tracers are "mixed" with respect to their transport phases. Although the precise mechanism for this resistance may be due to attachment by frustules, "stickiness" of the material surface, adsorption, or, in the case of microorganisms, active motility, a key common element in all cases is the presence of the ice matrix. In this presentation we investigate the consequences of mixed phase tracers in sea ice on algal concentrations, vertical distributions, and the potential accumulation of biogeochemical matter within the ice. We assume that sea ice growth promotes retention to the stationary phase, while melt and the disintegration of the ice matrix promotes release into the mobile phase. By varying the retention and release timescales of this formulation, we retrieve the purely mobile and maximal accumulation limits.

Nuclear Magnetic Resonance Observations of Octahedral Aluminum in Forsterite, Clinoenstatite and Periclase.

NASA Astrophysics Data System (ADS)

McCarty, R. J.; Stebbins, J. F.

2015-12-01

This research seeks to constrain the crystallographic site preferences of aluminum in forsterite, clinoenstatite and periclase, mantle minerals in which this element is only found at low concentrations. Improved site preference information will help constrain thermodynamic descriptions of the substitution mechanisms, making them more useful to geobarometric and geothermometric techniques. Using high field magic angle spinning nuclear magnetic resonance (NMR) and electron probe microanalysis (EPMA), we constrain the site preferences of minor and trace amounts (2000 to 400 mol ppm) of aluminum in extremely pure synthetic forsterite, clinoenstatite and periclase. The primary challenge of this research is determining how much of each of the aluminum species observed by NMR in the bulk sample (abundances and coordinations) resides in the major synthesized mineral. In our samples, the aluminum partitions between small amounts (often <1%) of impurity phases with high aluminum concentrations, such as glass and accessory crystals, and the major, intended phase with low aluminum concentrations. We use EPMA composition maps to locate scarce impurity phases and EPMA point analyses to determine the aluminum concentrations in both the intended major phase and in the impurity phases. Long NMR acquisitions (several days) and careful subtraction of rotor background signals (present in even 'low-Al' zirconia rotor materials) are required to obtain adequate signal-to-noise ratios at such low concentrations. Ordered octahedral aluminum has been identified in forsterite, clinoenstatite, and periclase. Disordered 4, 5 and 6 coordinated aluminum species have also been observed, but it is still unclear if the disordered species are in the major mineral phases, the impurity phases or both.

Analytical model and error analysis of arbitrary phasing technique for bunch length measurement

NASA Astrophysics Data System (ADS)

Chen, Qushan; Qin, Bin; Chen, Wei; Fan, Kuanjun; Pei, Yuanji

2018-05-01

An analytical model of an RF phasing method using arbitrary phase scanning for bunch length measurement is reported. We set up a statistical model instead of a linear chirp approximation to analyze the energy modulation process. It is found that, assuming a short bunch (σφ / 2 π → 0) and small relative energy spread (σγ /γr → 0), the energy spread (Y =σγ 2) at the exit of the traveling wave linac has a parabolic relationship with the cosine value of the injection phase (X = cosφr|z=0), i.e., Y = AX2 + BX + C. Analogous to quadrupole strength scanning for emittance measurement, this phase scanning method can be used to obtain the bunch length by measuring the energy spread at different injection phases. The injection phases can be randomly chosen, which is significantly different from the commonly used zero-phasing method. Further, the systematic error of the reported method, such as the influence of the space charge effect, is analyzed. This technique will be especially useful at low energies when the beam quality is dramatically degraded and is hard to measure using the zero-phasing method.

Buckling failure of square ice-nanotube arrays constrained in graphene nanocapillaries.

PubMed

Zhu, YinBo; Wang, FengChao; Wu, HengAn

2016-08-07

Graphene confinement provides a new physical and mechanical environment with ultrahigh van der Waals pressure, resulting in new quasi-two-dimensional phases of few-layer ice. Polymorphic transition can occur in bilayer constrained water/ice system. Here, we perform a comprehensive study of the phase transition of AA-stacked bilayer water constrained within a graphene nanocapillary. The compression-limit and superheating-limit (phase) diagrams are obtained, based on the extensive molecular-dynamics simulations at numerous thermodynamic states. Liquid-to-solid, solid-to-solid, and solid-to-liquid-to-solid phase transitions are observed in the compression and superheating of bilayer water. Interestingly, there is a temperature threshold (∼275 K) in the compression-limit diagram, which indicates that the first-order and continuous-like phase transitions of bilayer water depend on the temperature. Two obviously different physical processes, compression and superheating, display similar structural evolution; that is, square ice-nanotube arrays (BL-VHDI) will bend first and then transform into bilayer triangular AA stacking ice (BL-AAI). The superheating limit of BL-VHDI exhibits local maxima, while that of BL-AAI increases monotonically. More importantly, from a mechanics point of view, we propose a novel mechanism of the transformation from BL-VHDI to BL-AAI, both for the compression and superheating limits. This structural transformation can be regarded as the "buckling failure" of the square-ice-nanotube columns, which is dominated by the lateral pressure.

A Multi-site, Two-Phase, Prescription Opioid Addiction Treatment Study (POATS): Rationale, Design, and Methodology

PubMed Central

Weiss, Roger D.; Potter, Jennifer Sharpe; Provost, Scott E.; Huang, Zhen; Jacobs, Petra; Hasson, Albert; Lindblad, Robert; Connery, Hilary Smith; Prather, Kristi; Ling, Walter

2010-01-01

The National Institute on Drug Abuse Clinical Trials Network launched the Prescription Opioid Addiction Treatment Study (POATS) in response to rising rates of prescription opioid dependence and gaps in understanding the optimal course of treatment for this population. POATS employed a multi-site, two-phase adaptive, sequential treatment design to approximate clinical practice. The study took place at 10 community treatment programs around the United States. Participants included men and women age ≥18 who met Diagnostic and Statistical Manual, 4th Edition criteria for dependence upon prescription opioids, with physiologic features; those with a prominent history of heroin use (according to pre-specified criteria) were excluded. All participants received buprenorphine/naloxone (bup/nx). Phase 1 consisted of 4 weeks of bup/nx treatment, including a 14-day dose taper, with 8 weeks of follow-up. Phase 1 participants were monitored for treatment response during these 12 weeks. Those who relapsed to opioid use, as defined by pre-specified criteria, were invited to enter Phase 2; Phase 2 consisted of 12 weeks of bup/nx stabilization treatment, followed by a 4-week taper and 8 weeks of post-treatment follow-up. Participants were randomized at the beginning of Phase 1 to receive bup/nx, paired with either Standard Medical Management (SMM) or Enhanced Medical Management (EMM; defined as SMM plus individual drug counseling). Eligible participants entering Phase 2 were re-randomized to either EMM or SMM. POATS was developed to determine what benefit, if any, EMM offers over SMM in short-term and longer-term treatment paradigm. This paper describes the rationale and design of the study. PMID:20116457

A multi-site, two-phase, Prescription Opioid Addiction Treatment Study (POATS): rationale, design, and methodology.

PubMed

Weiss, Roger D; Potter, Jennifer Sharpe; Provost, Scott E; Huang, Zhen; Jacobs, Petra; Hasson, Albert; Lindblad, Robert; Connery, Hilary Smith; Prather, Kristi; Ling, Walter

2010-03-01

The National Institute on Drug Abuse Clinical Trials Network launched the Prescription Opioid Addiction Treatment Study (POATS) in response to rising rates of prescription opioid dependence and gaps in understanding the optimal course of treatment for this population. POATS employed a multi-site, two-phase adaptive, sequential treatment design to approximate clinical practice. The study took place at 10 community treatment programs around the United States. Participants included men and women age > or =18 who met Diagnostic and Statistical Manual, 4th Edition criteria for dependence upon prescription opioids, with physiologic features; those with a prominent history of heroin use (according to pre-specified criteria) were excluded. All participants received buprenorphine/naloxone (bup/nx). Phase 1 consisted of 4 weeks of bup/nx treatment, including a 14-day dose taper, with 8 weeks of follow-up. Phase 1 participants were monitored for treatment response during these 12 weeks. Those who relapsed to opioid use, as defined by pre-specified criteria, were invited to enter Phase 2; Phase 2 consisted of 12 weeks of bup/nx stabilization treatment, followed by a 4-week taper and 8 weeks of post-treatment follow-up. Participants were randomized at the beginning of Phase 1 to receive bup/nx, paired with either Standard Medical Management (SMM) or Enhanced Medical Management (EMM; defined as SMM plus individual drug counseling). Eligible participants entering Phase 2 were re-randomized to either EMM or SMM. POATS was developed to determine what benefit, if any, EMM offers over SMM in short-term and longer-term treatment paradigm. This paper describes the rationale and design of the study. Copyright 2010 Elsevier Inc. All rights reserved.

Structural optimization: Status and promise

NASA Astrophysics Data System (ADS)

Kamat, Manohar P.

Chapters contained in this book include fundamental concepts of optimum design, mathematical programming methods for constrained optimization, function approximations, approximate reanalysis methods, dual mathematical programming methods for constrained optimization, a generalized optimality criteria method, and a tutorial and survey of multicriteria optimization in engineering. Also included are chapters on the compromise decision support problem and the adaptive linear programming algorithm, sensitivity analyses of discrete and distributed systems, the design sensitivity analysis of nonlinear structures, optimization by decomposition, mixed elements in shape sensitivity analysis of structures based on local criteria, and optimization of stiffened cylindrical shells subjected to destabilizing loads. Other chapters are on applications to fixed-wing aircraft and spacecraft, integrated optimum structural and control design, modeling concurrency in the design of composite structures, and tools for structural optimization. (No individual items are abstracted in this volume)

Two-Phase Item Selection Procedure for Flexible Content Balancing in CAT

ERIC Educational Resources Information Center

Cheng, Ying; Chang, Hua-Hua; Yi, Qing

2007-01-01

Content balancing is an important issue in the design and implementation of computerized adaptive testing (CAT). Content-balancing techniques that have been applied in fixed content balancing, where the number of items from each content area is fixed, include constrained CAT (CCAT), the modified multinomial model (MMM), modified constrained CAT…

The magnetic field of the Milky Way

NASA Astrophysics Data System (ADS)

Jansson, Ronnie

The magnetic field of the Milky Way is a significant component of our Galaxy, and impacts a great variety of Galactic processes. For example, it regulates star formation, accelerates cosmic rays, transports energy and momentum, acts as a source of pressure, and obfuscates the arrival directions of ultrahigh energy cosmic rays (UHECRs). This thesis is mainly concerned with the large scale Galactic magnetic field (GMF), and the effect it has on UHECRs. In Chapter 1 we review what is known about Galactic and extragalactic magnetic fields, their origin, the different observables of the GMF, and the ancillary data that is necessary to constrain astrophysical magnetic fields. Chapter 2 introduces a method to quantify the quality-of-fit between data and observables sensitive to the large scale Galactic magnetic field. We combine WMAP5 polarized synchrotron data and rotation measures of extragalactic sources in a joint analysis to obtain best-fit parameters and confidence levels for GMF models common in the literature. None of the existing models provide a good fit in both the disk and halo regions, and in many instances best-fit parameters are quite different than the original values. We introduce a simple model of the magnetic field in the halo that provides a much improved fit to the data. We show that some characteristics of the electron densities can already be constrained using our method and with future data it may be possible to carry out a self-consistent analysis in which models of the GMF and electron densities are simultaneously optimized. Chapter 3 investigates the observed excess of UHECRs in the region of the sky close to the nearby radio galaxy Centaurus A. We constrain the large-scale Galactic magnetic field and the small-scale random magnetic field in the direction of Cen A, and estimate the deflection of the observed UHECRs and predict their source positions on the sky. We find that the deflection due to random fields are small compared to deflections due to the regular field. Assuming the UHECRs are protons we find that 4 of the published Auger events above 57 EeV are consistent with coming from Cen A.We conclude that the proposed scenarios in which most of the events within approximately 20° of Cen A come from it are unlikely, regardless of the composition of the UHECRs.

Exchange and correlation effects on plasmon dispersions and Coulomb drag in low-density electron bilayers

NASA Astrophysics Data System (ADS)

Badalyan, S. M.; Kim, C. S.; Vignale, G.; Senatore, G.

2007-03-01

We investigate the effect of exchange and correlation (XC) on the plasmon spectrum and the Coulomb drag between spatially separated low-density two-dimensional electron layers. We adopt a different approach, which employs dynamic XC kernels in the calculation of the bilayer plasmon spectra and of the plasmon-mediated drag, and static many-body local field factors in the calculation of the particle-hole contribution to the drag. The spectrum of bilayer plasmons and the drag resistivity are calculated in a broad range of temperatures taking into account both intra- and interlayer correlation effects. We observe that both plasmon modes are strongly affected by XC corrections. After the inclusion of the complex dynamic XC kernels, a decrease of the electron density induces shifts of the plasmon branches in opposite directions. This is in stark contrast with the tendency observed within random phase approximation that both optical and acoustical plasmons move away from the boundary of the particle-hole continuum with a decrease in the electron density. We find that the introduction of XC corrections results in a significant enhancement of the transresistivity and qualitative changes in its temperature dependence. In particular, the large high-temperature plasmon peak that is present in the random phase approximation is found to disappear when the XC corrections are included. Our numerical results at low temperatures are in good agreement with the results of recent experiments by Kellogg [Solid State Commun. 123, 515 (2002)].

Skyrme random-phase-approximation description of lowest Kπ=2γ+ states in axially deformed nuclei

NASA Astrophysics Data System (ADS)

Nesterenko, V. O.; Kartavenko, V. G.; Kleinig, W.; Kvasil, J.; Repko, A.; Jolos, R. V.; Reinhard, P.-G.

2016-03-01

The lowest quadrupole γ -vibrational Kπ=2+ states in axially deformed rare-earth (Nd, Sm, Gd, Dy, Er, Yb, Hf, W) and actinide (U) nuclei are systematically investigated within the separable random-phase-approximation (SRPA) based on the Skyrme functional. The energies Eγ and reduced transition probabilities B (E 2 ) of 2γ+ states are calculated with the Skyrme forces SV-bas and SkM*. The energies of two-quasiparticle configurations forming the SRPA basis are corrected by using the pairing blocking effect. This results in a systematic downshift of Eγ by 0.3-0.5 MeV and thus in a better agreement with the experiment, especially in Sm, Gd, Dy, Hf, and W regions. For other isotopic chains, a noticeable overestimation of Eγ and too weak collectivity of 2γ+ states still persist. It is shown that domains of nuclei with low and high 2γ+ collectivity are related to the structure of the lowest two-quasiparticle states and conservation of the Nilsson selection rules. The description of 2γ+ states with SV-bas and SkM* is similar in light rare-earth nuclei but deviates in heavier nuclei. However SV-bas much better reproduces the quadrupole deformation and energy of the isoscalar giant quadrupole resonance. The accuracy of SRPA is justified by comparison with exact RPA. The calculations suggest that a further development of the self-consistent calculation schemes is needed for a systematic satisfactory description of the 2γ+ states.

Chiral NNLOsat descriptions of nuclear multipole resonances within the random-phase approximation

NASA Astrophysics Data System (ADS)

Wu, Q.; Hu, B. S.; Xu, F. R.; Ma, Y. Z.; Dai, S. J.; Sun, Z. H.; Jansen, G. R.

2018-05-01

We study nuclear multipole resonances in the framework of the random-phase approximation by using the chiral potential NNLOsat. This potential includes two- and three-body terms that have been simultaneously optimized to low-energy nucleon-nucleon scattering data and selected nuclear structure data. Our main focuses have been the isoscalar monopole, isovector dipole, and isoscalar quadrupole resonances of the closed-shell nuclei, 4He, O 16 ,22 ,24 , and Ca,4840. These resonance modes have been widely observed in experiment. In addition, we use a renormalized chiral potential Vlow-k, based on the N3LO two-body potential by Entem and Machleidt [Phys. Rev. C 68, 041001 (2011), 10.1103/PhysRevC.68.041001]. This introduces a dependency on the cutoff parameter used in the normalization procedure as reported in previous works by other groups. While NNLOsat can reasonably reproduce observed multipole resonances, it is not possible to find a single cutoff parameter for the Vlow-k potential that simultaneously describes the different types of resonance modes. The sensitivity to the cutoff parameter can be explained by missing induced three-body forces in the calculations. Our results for neutron-rich O,2422 show a mixing nature of isoscalar and isovector resonances in the dipole channel at low energies. We predict that 22O and 24O have low-energy isoscalar quadrupole resonances at energies lower than 5 MeV.

A randomized, placebo-controlled trial of controlled release melatonin treatment of delayed sleep phase syndrome and impaired sleep maintenance in children with neurodevelopmental disabilities.

PubMed

Wasdell, Michael B; Jan, James E; Bomben, Melissa M; Freeman, Roger D; Rietveld, Wop J; Tai, Joseph; Hamilton, Donald; Weiss, Margaret D

2008-01-01

The purpose of this study was to determine the efficacy of controlled-release (CR) melatonin in the treatment of delayed sleep phase syndrome and impaired sleep maintenance of children with neurodevelopmental disabilities including autistic spectrum disorders. A randomized double-blind, placebo-controlled crossover trial of CR melatonin (5 mg) followed by a 3-month open-label study was conducted during which the dose was gradually increased until the therapy showed optimal beneficial effects. Sleep characteristics were measured by caregiver who completed somnologs and wrist actigraphs. Clinician rating of severity of the sleep disorder and improvement from baseline, along with caregiver ratings of global functioning and family stress were also obtained. Fifty-one children (age range 2-18 years) who did not respond to sleep hygiene intervention were enrolled. Fifty patients completed the crossover trial and 47 completed the open-label phase. Recordings of total night-time sleep and sleep latency showed significant improvement of approximately 30 min. Similarly, significant improvement was observed in clinician and parent ratings. There was additional improvement in the open-label somnolog measures of sleep efficiency and the longest sleep episode in the open-label phase. Overall, the therapy improved the sleep of 47 children and was effective in reducing family stress. Children with neurodevelopmental disabilities, who had treatment resistant chronic delayed sleep phase syndrome and impaired sleep maintenance, showed improvement in melatonin therapy.

Photometric Properties of Soils at the Mars Phoenix Landing Site: Preliminary Analysis from CRISM EPF Data

NASA Astrophysics Data System (ADS)

Cull, S. C.; Arvidson, R. E.; Seelos, F.; Wolff, M. J.

2010-03-01

Using data from CRISM's Emission Phase Function observations, we attempt to constrain Phoenix soil scattering properties, including soil grain size, single-scattering albedo, and surface phase function.

Randomly displaced phase distribution design and its advantage in page-data recording of Fourier transform holograms.

PubMed

Emoto, Akira; Fukuda, Takashi

2013-02-20

For Fourier transform holography, an effective random phase distribution with randomly displaced phase segments is proposed for obtaining a smooth finite optical intensity distribution in the Fourier transform plane. Since unitary phase segments are randomly distributed in-plane, the blanks give various spatial frequency components to an image, and thus smooth the spectrum. Moreover, by randomly changing the phase segment size, spike generation from the unitary phase segment size in the spectrum can be reduced significantly. As a result, a smooth spectrum including sidebands can be formed at a relatively narrow extent. The proposed phase distribution sustains the primary functions of a random phase mask for holographic-data recording and reconstruction. Therefore, this distribution is expected to find applications in high-density holographic memory systems, replacing conventional random phase mask patterns.

Dynamical behaviors of inter-out-of-equilibrium state intervals in Korean futures exchange markets

NASA Astrophysics Data System (ADS)

Lim, Gyuchang; Kim, SooYong; Kim, Kyungsik; Lee, Dong-In; Scalas, Enrico

2008-05-01

A recently discovered feature of financial markets, the two-phase phenomenon, is utilized to categorize a financial time series into two phases, namely equilibrium and out-of-equilibrium states. For out-of-equilibrium states, we analyze the time intervals at which the state is revisited. The power-law distribution of inter-out-of-equilibrium state intervals is shown and we present an analogy with discrete-time heat bath dynamics, similar to random Ising systems. In the mean-field approximation, this model reduces to a one-dimensional multiplicative process. By varying global and local model parameters, the relevance between volatilities in financial markets and the interaction strengths between agents in the Ising model are investigated and discussed.

Discriminating Majorana neutrino textures in light of the baryon asymmetry

NASA Astrophysics Data System (ADS)

Borah, Manikanta; Borah, Debasish; Das, Mrinal Kumar

2015-06-01

We study all possible texture zeros in the Majorana neutrino mass matrix which are allowed from neutrino oscillation as well as cosmology data when the charged lepton mass matrix is assumed to take the diagonal form. In the case of one-zero texture, we write down the Majorana phases which are assumed to be equal and the lightest neutrino mass as a function of the Dirac C P phase. In the case of two-zero texture, we numerically evaluate all the three C P phases and lightest neutrino mass by solving four real constraint equations. We then constrain texture zero mass matrices from the requirement of producing correct baryon asymmetry through the mechanism of leptogenesis by assuming the Dirac neutrino mass matrix to be diagonal. Adopting a type I seesaw framework, we consider the C P -violating out of equilibrium decay of the lightest right-handed neutrino as the source of lepton asymmetry. Apart from discriminating between the texture zero mass matrices and light neutrino mass hierarchy, we also constrain the Dirac and Majorana C P phases so that the observed baryon asymmetry can be produced. In two-zero texture, we further constrain the diagonal form of the Dirac neutrino mass matrix from the requirement of producing correct baryon asymmetry.

Electric dipole moments in natural supersymmetry

NASA Astrophysics Data System (ADS)

Nakai, Yuichiro; Reece, Matthew

2017-08-01

We discuss electric dipole moments (EDMs) in the framework of CP-violating natural supersymmetry (SUSY). Recent experimental results have significantly tightened constraints on the EDMs of electrons and of mercury, and substantial further progress is expected in the near future. We assess how these results constrain the parameter space of natural SUSY. In addition to our discussion of SUSY, we provide a set of general formulas for two-loop fermion EDMs, which can be applied to a wide range of models of new physics. In the SUSY context, the two-loop effects of stops and charginos respectively constrain the phases of A t μ and M 2 μ to be small in the natural part of parameter space. If the Higgs mass is lifted to 125 GeV by a new tree-level superpotential interaction and soft term with CP-violating phases, significant EDMs can arise from the two-loop effects of W bosons and tops. We compare the bounds arising from EDMs to those from other probes of new physics including colliders, b → sγ, and dark matter searches. Importantly, improvements in reach not only constrain higher masses, but require the phases to be significantly smaller in the natural parameter space at low mass. The required smallness of phases sharpens the CP problem of natural SUSY model building.

Astigmatism in the Early Treatment for Retinopathy of Prematurity Study: findings to 3 years of age

PubMed Central

Davitt, Bradley V.; Dobson, Velma; Quinn, Graham E.; Hardy, Robert J.; Tung, Betty; Good, William V.

2009-01-01

Purpose To examine the prevalence of astigmatism (≥ 1.00 diopter (D)) and high astigmatism (≥ 2.00 D) at 6 and 9 months post-term and 2 and 3 years postnatal, in preterm children with birth weight < 1251g who developed high-risk prethreshold retinopathy of prematurity (ROP) and participated in the Early Treatment for ROP (ETROP) Study. Design Randomized controlled clinical trial Participants 401 infants who developed prethreshold ROP in one or both eyes and were randomized after they were determined to have a high risk (≥ 15%) of poor structural outcome without treatment, using the RM-ROP2 risk management program. Refractive error was measured by cycloplegic retinoscopy. Eyes with additional retinal, glaucoma, or cataract surgery were excluded. Intervention Eyes were randomized to receive laser photocoagulation at high-risk prethreshold ROP (early treated (ET)) or to be conventionally managed (CM), receiving treatment only if threshold ROP developed. Main Outcome Measures Astigmatism and high astigmatism at each visit. Astigmatism was classified as “with-the rule” (75° – 105° (WTR)), “against-the-rule” (0° – 15° and 165° – 180° (ATR), or “oblique” (16° – 74° and 106° – 164° (OBL)). Results The prevalence of astigmatism in ET and CM eyes was similar at each test age. For both groups, there was an increase in prevalence of astigmatism from approximately 32% at 6 months to approximately 42% by 3 years, mostly occurring between 6 and 9 months. Among eyes that could be refracted, astigmatism was not influenced by zone of acute-phase ROP, presence of plus disease, or retinal residua of ROP. Eyes with astigmatism and high astigmatism most often had WTR astigmatism. Conclusions By age 3 years, nearly 43% of eyes treated at high-risk prethreshold ROP developed astigmatism ≥ 1.00 D and nearly 20% had astigmatism ≥ 2.00 D. Presence of astigmatism was not influenced by timing of treatment of acute-phase ROP, characteristics of acute-phase or cicatricial ROP. These findings reinforce the need for follow-up eye examinations in infants with high risk prethreshold ROP. PMID:19091409

The cost-constrained traveling salesman problem

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

Sokkappa, P.R.

1990-10-01

The Cost-Constrained Traveling Salesman Problem (CCTSP) is a variant of the well-known Traveling Salesman Problem (TSP). In the TSP, the goal is to find a tour of a given set of cities such that the total cost of the tour is minimized. In the CCTSP, each city is given a value, and a fixed cost-constraint is specified. The objective is to find a subtour of the cities that achieves maximum value without exceeding the cost-constraint. Thus, unlike the TSP, the CCTSP requires both selection and sequencing. As a consequence, most results for the TSP cannot be extended to the CCTSP.more » We show that the CCTSP is NP-hard and that no K-approximation algorithm or fully polynomial approximation scheme exists, unless P = NP. We also show that several special cases are polynomially solvable. Algorithms for the CCTSP, which outperform previous methods, are developed in three areas: upper bounding methods, exact algorithms, and heuristics. We found that a bounding strategy based on the knapsack problem performs better, both in speed and in the quality of the bounds, than methods based on the assignment problem. Likewise, we found that a branch-and-bound approach using the knapsack bound was superior to a method based on a common branch-and-bound method for the TSP. In our study of heuristic algorithms, we found that, when selecting modes for inclusion in the subtour, it is important to consider the neighborhood'' of the nodes. A node with low value that brings the subtour near many other nodes may be more desirable than an isolated node of high value. We found two types of repetition to be desirable: repetitions based on randomization in the subtour buildings process, and repetitions encouraging the inclusion of different subsets of the nodes. By varying the number and type of repetitions, we can adjust the computation time required by our method to obtain algorithms that outperform previous methods.« less

Rapid processing of chemosensor transients in a neuromorphic implementation of the insect macroglomerular complex

PubMed Central

Pearce, Timothy C.; Karout, Salah; Rácz, Zoltán; Capurro, Alberto; Gardner, Julian W.; Cole, Marina

2012-01-01

We present a biologically-constrained neuromorphic spiking model of the insect antennal lobe macroglomerular complex that encodes concentration ratios of chemical components existing within a blend, implemented using a set of programmable logic neuronal modeling cores. Depending upon the level of inhibition and symmetry in its inhibitory connections, the model exhibits two dynamical regimes: fixed point attractor (winner-takes-all type), and limit cycle attractor (winnerless competition type) dynamics. We show that, when driven by chemosensor input in real-time, the dynamical trajectories of the model's projection neuron population activity accurately encode the concentration ratios of binary odor mixtures in both dynamical regimes. By deploying spike timing-dependent plasticity in a subset of the synapses in the model, we demonstrate that a Hebbian-like associative learning rule is able to organize weights into a stable configuration after exposure to a randomized training set comprising a variety of input ratios. Examining the resulting local interneuron weights in the model shows that each inhibitory neuron competes to represent possible ratios across the population, forming a ratiometric representation via mutual inhibition. After training the resulting dynamical trajectories of the projection neuron population activity show amplification and better separation in their response to inputs of different ratios. Finally, we demonstrate that by using limit cycle attractor dynamics, it is possible to recover and classify blend ratio information from the early transient phases of chemosensor responses in real-time more rapidly and accurately compared to a nearest-neighbor classifier applied to the normalized chemosensor data. Our results demonstrate the potential of biologically-constrained neuromorphic spiking models in achieving rapid and efficient classification of early phase chemosensor array transients with execution times well beyond biological timescales. PMID:23874265

Effectiveness and benefit-cost of peer-based workplace substance abuse prevention coupled with random testing.

PubMed

Miller, Ted R; Zaloshnja, Eduard; Spicer, Rebecca S

2007-05-01

Few studies have evaluated the impact of workplace substance abuse prevention programs on occupational injury, despite this being a justification for these programs. This paper estimates the effectiveness and benefit-cost ratio of a peer-based substance abuse prevention program at a U.S. transportation company, implemented in phases from 1988 to 1990. The program focuses on changing workplace attitudes toward on-the-job substance use in addition to training workers to recognize and intervene with coworkers who have a problem. The program was strengthened by federally mandated random drug and alcohol testing (implemented, respectively, in 1990 and 1994). With time-series analysis, we analyzed the association of monthly injury rates and costs with phased program implementation, controlling for industry injury trend. The combination of the peer-based program and testing was associated with an approximate one-third reduction in injury rate, avoiding an estimated $48 million in employer costs in 1999. That year, the peer-based program cost the company $35 and testing cost another $35 per employee. The program avoided an estimated $1850 in employer injury costs per employee in 1999, corresponding to a benefit-cost ratio of 26:1. The findings suggest that peer-based programs buttressed by random testing can be cost-effective in the workplace.

Estimating the Mass of the Milky Way Using the Ensemble of Classical Satellite Galaxies

NASA Astrophysics Data System (ADS)

Patel, Ekta; Besla, Gurtina; Mandel, Kaisey; Sohn, Sangmo Tony

2018-04-01

High precision proper motion (PM) measurements are available for approximately 20% of all known dwarf satellite galaxies of the Milky Way (MW). Here we extend the Bayesian framework of Patel et al. to include all MW satellites with measured 6D phase-space information and apply it with the Illustris-Dark simulation to constrain the MW’s mass. Using the properties of each MW satellite individually, we find that the scatter among mass estimates is reduced when the magnitude of specific orbital angular momentum (j) is adopted, rather than their combined instantaneous positions and velocities. We also find that high j satellites (i.e., Leo II) constrain the upper limits for the MW’s mass and low j satellites, rather than the highest speed satellites (i.e., Leo I and Large Magellanic Cloud), set the lower mass limits. When j of all classical satellites is used to simultaneously estimate the MW’s mass, we conclude the halo mass is 0.85+0.23 ‑0.26 × 1012 {M}ȯ (including Sagittarius dSph) and 0.96+0.29 ‑0.28 × 1012 {M}ȯ (excluding Sagittarius dSph), cautioning that low j satellites on decaying orbits like Sagittarius dSph may bias the distribution. These estimates markedly reduce the current factor of two spread in the mass range of the MW. We also find a well-defined relationship between host halo mass and satellite j distribution, which yields the prediction that upcoming PMs for ultra-faint dwarfs should reveal j within 5 × 103–104 kpc km s‑1. This is a promising method to significantly constrain the cosmologically expected mass range for the MW and eventually M31 as more satellite PMs become available.

Charge pattern matching as a ‘fuzzy’ mode of molecular recognition for the functional phase separations of intrinsically disordered proteins

NASA Astrophysics Data System (ADS)

Lin, Yi-Hsuan; Brady, Jacob P.; Forman-Kay, Julie D.; Chan, Hue Sun

2017-11-01

Biologically functional liquid-liquid phase separation of intrinsically disordered proteins (IDPs) is driven by interactions encoded by their amino acid sequences. Little is currently known about the molecular recognition mechanisms for distributing different IDP sequences into various cellular membraneless compartments. Pertinent physics was addressed recently by applying random-phase-approximation (RPA) polymer theory to electrostatics, which is a major energetic component governing IDP phase properties. RPA accounts for charge patterns and thus has advantages over Flory-Huggins (FH) and Overbeek-Voorn mean-field theories. To make progress toward deciphering the phase behaviors of multiple IDP sequences, the RPA formulation for one IDP species plus solvent is hereby extended to treat polyampholyte solutions containing two IDP species plus solvent. The new formulation generally allows for binary coexistence of two phases, each containing a different set of volume fractions ({φ }1,{φ }2) for the two different IDP sequences. The asymmetry between the two predicted coexisting phases with regard to their {φ }1/{φ }2 ratios for the two sequences increases with increasing mismatch between their charge patterns. This finding points to a multivalent, stochastic, ‘fuzzy’ mode of molecular recognition that helps populate various IDP sequences differentially into separate phase compartments. An intuitive illustration of this trend is provided by FH models, whereby a hypothetical case of ternary coexistence is also explored. Augmentations of the present RPA theory with a relative permittivity {ɛ }{{r}}(φ ) that depends on IDP volume fraction φ ={φ }1+{φ }2 lead to higher propensities to phase separate, in line with the case with one IDP species we studied previously. Notably, the cooperative, phase-separation-enhancing effects predicted by the prescriptions for {ɛ }{{r}}(φ ) we deem physically plausible are much more prominent than that entailed by common effective medium approximations based on Maxwell Garnett and Bruggeman mixing formulas. Ramifications of our findings on further theoretical development for IDP phase separation are discussed.

Field-temperature phase diagrams of freestanding and substrate-constrained epitaxial Ni-Mn-Ga-Co films for magnetocaloric applications

NASA Astrophysics Data System (ADS)

Diestel, A.; Niemann, R.; Schleicher, B.; Schwabe, S.; Schultz, L.; Fähler, S.

2015-07-01

Ferroic cooling processes that rely on field-induced first-order transformations of solid materials are a promising step towards a more energy-efficient refrigeration technology. In particular, thin films are discussed for their fast heat transfer and possible applications in microsystems. Substrate-constrained films are not useful since their substrates act as a heat sink. In this article, we examine a substrate-constrained and a freestanding epitaxial film of magnetocaloric Ni-Mn-Ga-Co. We compare phase diagrams and entropy changes obtained by magnetic field and temperature scans, which differ. We observe an asymmetry of the hysteresis between heating and cooling branch, which vanishes at high magnetic fields. These effects are discussed with respect to the vector character of a magnetic field, which acts differently on the nucleation and growth processes compared to the scalar character of the temperature.

Bounds on the conductivity of a suspension of random impenetrable spheres

NASA Astrophysics Data System (ADS)

Beasley, J. D.; Torquato, S.

1986-11-01

We compare the general Beran bounds on the effective electrical conductivity of a two-phase composite to the bounds derived by Torquato for the specific model of spheres distributed throughout a matrix phase. For the case of impenetrable spheres, these bounds are shown to be identical and to depend on the microstructure through the sphere volume fraction φ2 and a three-point parameter ζ2, which is an integral over a three-point correlation function. We evaluate ζ2 exactly through third order in φ2 for distributions of impenetrable spheres. This expansion is compared to the analogous results of Felderhof and of Torquato and Lado, all of whom employed the superposition approximation for the three-particle distribution function involved in ζ2. The results indicate that the exact ζ2 will be greater than the value calculated under the superposition approximation. For reasons of mathematical analogy, the results obtained here apply as well to the determination of the thermal conductivity, dielectric constant, and magnetic permeability of composite media and the diffusion coefficient of porous media.

Spin-flip isovector giant resonances from the 90Zr(n,p)90Y reaction at 198 MeV

NASA Astrophysics Data System (ADS)

Raywood, K. J.; Spicer, B. M.; Yen, S.; Long, S. A.; Moinester, M. A.; Abegg, R.; Alford, W. P.; Celler, A.; Drake, T. E.; Frekers, D.; Green, P. E.; Häusser, O.; Helmer, R. L.; Henderson, R. S.; Hicks, K. H.; Jackson, K. P.; Jeppesen, R. G.; King, J. D.; King, N. S.; Miller, C. A.; Officer, V. C.; Schubank, R.; Shute, G. G.; Vetterli, M.; Watson, J.; Yavin, A. I.

1990-06-01

Doubly differential cross sections of the reaction 90Zr(n,p)90Y have been measured at 198 MeV for excitations up to 38 MeV in the residual nucleus. An overall resolution of 1.3 MeV was achieved. The spectra show qualitative agreement in shape and magnitude with recent random phase approximation calculations; however, all of the calculations underestimate the high excitation region of the spectra. A multipole decomposition of the data has been performed using differential cross sections calculated in the distorted-wave impulse approximation. An estimate of the Gamow-Teller strength in the reaction is given. The isovector spin-flip dipole giant resonance has been identified and there is also an indication of isovector monopole strength.

Hexagonal boron nitride and water interaction parameters

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

Wu, Yanbin; Aluru, Narayana R., E-mail: aluru@illinois.edu; Wagner, Lucas K.

2016-04-28

The study of hexagonal boron nitride (hBN) in microfluidic and nanofluidic applications at the atomic level requires accurate force field parameters to describe the water-hBN interaction. In this work, we begin with benchmark quality first principles quantum Monte Carlo calculations on the interaction energy between water and hBN, which are used to validate random phase approximation (RPA) calculations. We then proceed with RPA to derive force field parameters, which are used to simulate water contact angle on bulk hBN, attaining a value within the experimental uncertainties. This paper demonstrates that end-to-end multiscale modeling, starting at detailed many-body quantum mechanics andmore » ending with macroscopic properties, with the approximations controlled along the way, is feasible for these systems.« less

Diamond, aromatic, aliphatic components of interstellar dust grains: Random covalent networks in carbonaceous grains

NASA Astrophysics Data System (ADS)

Duley, W. W.

1995-05-01

A formalism based on the theory of random covalent networks (RCNs) in amorphous solids is developed for carbonaceous dust grains. RCN solutions provide optimized structures and relative compositions for amorphous materials. By inclusion of aliphatic, aromatic, and diamond clusters, solutions specific to interstellar materials can be obtained and compared with infrared spectral data. It is found that distinct RCN solutions corresponding to diffuse cloud and molecular cloud materials are possible. Specific solutions are derived for three representative objects: VI Cyg No. 12, NGC 7538 (IRS 9), and GC IRS 7. While diffuse cloud conditions with a preponderance of sp2 and sp3 bonded aliphatic CH species can be reproduced under a variety of RCN conditions, the presence of an abundant tertiary CH or diamond component is highly constrained. These solutions are related quantitatively to carbon depletions and can be used to provide a quantitative estimate of carbon in these various dust components. Despite the abundance of C6 aromatic rings in many RCN solutions, the infrared absorption due to the aromatic stretch at approximately 3.3 micrometers is weak under all conditions. The RCN formalism is shown to provide a useful method for tracing the evolutionary properties of interstellar carbonaceous grains.

Updated constraints on the light-neutrino exchange mechanisms of the 0νββ-decay

NASA Astrophysics Data System (ADS)

Štefánik, Dušan; Dvornický, Rastislav; Šimkovic, Fedor

2015-10-01

The neutrinoless double-beta (0νββ) decay associated with light neutrino exchange mechanisms, which are due to both left-handed V-A and right-handed V+A leptonic and hadronic currents, is discussed by using the recent progress achieved by the GERDA, EXO and KamlandZen experiments. The upper limits for effective neutrino mass mββ and the parameters <λ> and <η> characterizing the right handed current mechanisms are deduced from the data on the 0νββ-decay of 76Ge and 136Xe using nuclear matrix elements calculated within the nuclear shell model and quasiparticle random phase approximation and phase-space factors calculated with exact Dirac wave functions with finite nuclear size and electron screening. The careful analysis of upper constraints on effective lepton number violating parameters assumes a competition of the above mechanisms and arbitrary values of involved CP violating phases.

Directed intermittent search for a hidden target on a dendritic tree

NASA Astrophysics Data System (ADS)

Newby, Jay M.; Bressloff, Paul C.

2009-08-01

Motivated by experimental observations of active (motor-driven) intracellular transport in neuronal dendrites, we analyze a stochastic model of directed intermittent search on a tree network. A particle injected from the cell body or soma into the primary branch of the dendritic tree randomly switches between a stationary search phase and a mobile nonsearch phase that is biased in the forward direction. A (synaptic) target is presented somewhere within the tree, which the particle can locate if it is within a certain range and in the searching phase. We approximate the moment generating function using Green’s function methods. The moment generating function is then used to compute the hitting probability and conditional mean first passage time to the target. We show that in contrast to a previously explored finite interval case, there is a range of parameters for which a bidirectional search strategy is more efficient than a unidirectional one in finding the target.

Multimode resource-constrained multiple project scheduling problem under fuzzy random environment and its application to a large scale hydropower construction project.

PubMed

Xu, Jiuping; Feng, Cuiying

2014-01-01

This paper presents an extension of the multimode resource-constrained project scheduling problem for a large scale construction project where multiple parallel projects and a fuzzy random environment are considered. By taking into account the most typical goals in project management, a cost/weighted makespan/quality trade-off optimization model is constructed. To deal with the uncertainties, a hybrid crisp approach is used to transform the fuzzy random parameters into fuzzy variables that are subsequently defuzzified using an expected value operator with an optimistic-pessimistic index. Then a combinatorial-priority-based hybrid particle swarm optimization algorithm is developed to solve the proposed model, where the combinatorial particle swarm optimization and priority-based particle swarm optimization are designed to assign modes to activities and to schedule activities, respectively. Finally, the results and analysis of a practical example at a large scale hydropower construction project are presented to demonstrate the practicality and efficiency of the proposed model and optimization method.

Multimode Resource-Constrained Multiple Project Scheduling Problem under Fuzzy Random Environment and Its Application to a Large Scale Hydropower Construction Project

PubMed Central

Xu, Jiuping

2014-01-01

This paper presents an extension of the multimode resource-constrained project scheduling problem for a large scale construction project where multiple parallel projects and a fuzzy random environment are considered. By taking into account the most typical goals in project management, a cost/weighted makespan/quality trade-off optimization model is constructed. To deal with the uncertainties, a hybrid crisp approach is used to transform the fuzzy random parameters into fuzzy variables that are subsequently defuzzified using an expected value operator with an optimistic-pessimistic index. Then a combinatorial-priority-based hybrid particle swarm optimization algorithm is developed to solve the proposed model, where the combinatorial particle swarm optimization and priority-based particle swarm optimization are designed to assign modes to activities and to schedule activities, respectively. Finally, the results and analysis of a practical example at a large scale hydropower construction project are presented to demonstrate the practicality and efficiency of the proposed model and optimization method. PMID:24550708

Scattering of Internal Tides by Irregular Bathymetry of Large Extent

NASA Astrophysics Data System (ADS)

Mei, C.

2014-12-01

We present an analytic theory of scattering of tide-generated internal gravity waves in a continuously stratified ocean with a randomly rough seabed. Based on the linearized approximation, the idealized case of constant mean sea depth and Brunt-Vaisala frequency is considered. The depth fluctuation is assumed to be a stationary random function of space characterized by small amplitude and correlation length comparable to the typical wavelength. For both one- and two-dimensional topography the effects of scattering on wave phase over long distances are derived explicitly by the method of multiple scales. For one-dimensional topography, numerical results are compared with Buhler-& Holmes-Cerfon(2011) computed by the method of characteristics. For two-dimensional topography, new results are presented for both statistically isotropic and anisotropic cases. In thi talk we shall apply the perturbation technique of multiple scales to treat analytically the random scattering of internal tides by gently sloped bathymetric irregularities.The basic assumptions are: incompressible fluid, infinitestimal wave amplitudes, constant Brunt-Vaisala frequency, and constant mean depth. In addition, the depth disorder is assumed to be a stationary random function of space with zero mean and small root-mean-square amplitude. The correlation length can be comparable in order of magnitude as the dominant wavelength. Both one- and two-dimensional disorder will be considered. Physical effects of random scattering on the mean wave phase i.e., spatial attenuation and wavenumber shift will be calculated and discussed for one mode of incident wave. For two dimensional topographies, statistically isotropic and anisotropic examples will be presented.

Continuous phase and amplitude holographic elements

NASA Technical Reports Server (NTRS)

Maker, Paul D. (Inventor); Muller, Richard E. (Inventor)

1995-01-01

A method for producing a phase hologram using e-beam lithography provides n-ary levels of phase and amplitude by first producing an amplitude hologram on a transparent substrate by e-beam exposure of a resist over a film of metal by exposing n is less than or equal to m x m spots of an array of spots for each pixel, where the spots are randomly selected in proportion to the amplitude assigned to each pixel, and then after developing and etching the metal film producing a phase hologram by e-beam lithography using a low contrast resist, such as PMMA, and n-ary levels of low doses less than approximately 200 micro-C/sq cm and preferably in the range of 20-200 micro-C/sq cm, and aggressive development using pure acetone for an empirically determined time (about 6 s) controlled to within 1/10 s to produce partial development of each pixel in proportion to the n-ary level of dose assigned to it.

Optical properties of single and bilayer arsenene phases

NASA Astrophysics Data System (ADS)

Kecik, Deniz; Ciraci, Salim; Durgun, Engin

An extensive investigation of the optical properties of single-layer buckled and washboard arsenene and their bilayers was performed, starting from layered three-dimensional (3D) crystalline phase of arsenic using density functional and many-body perturbation theories combined with Random Phase Approximation. Electron-hole interactions were taken into account by solving the Bethe-Salpeter equation, suggesting first bound exciton energies on the order of 0.7 eV. Thus, many-body effects were found to be crucial for altering the optical properties of arsenene. The light absorption of single layer and bilayer arsenene structures in general falls within the visible-ultraviolet (UV) spectral regime. Moreover, directional anisotropy, varying the number of layers and applying homogeneous or uniaxial in-plane tensile strain were found to modify the optical properties of two-dimensional (2D) arsenene phases, which could be useful for diverse photovoltaic and optoelectronic applications. This work was supported by the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No 115F088.

Phase transition solutions in geometrically constrained magnetic domain wall models

NASA Astrophysics Data System (ADS)

Chen, Shouxin; Yang, Yisong

2010-02-01

Recent work on magnetic phase transition in nanoscale systems indicates that new physical phenomena, in particular, the Bloch wall width narrowing, arise as a consequence of geometrical confinement of magnetization and leads to the introduction of geometrically constrained domain wall models. In this paper, we present a systematic mathematical analysis on the existence of the solutions of the basic governing equations in such domain wall models. We show that, when the cross section of the geometric constriction is a simple step function, the solutions may be obtained by minimizing the domain wall energy over the constriction and solving the Bogomol'nyi equation outside the constriction. When the cross section and potential density are both even, we establish the existence of an odd domain wall solution realizing the phase transition process between two adjacent domain phases. When the cross section satisfies a certain integrability condition, we prove that a domain wall solution always exists which links two arbitrarily designated domain phases.

Effects of inhalational anaesthesia with low tidal volume ventilation on end-tidal sevoflurane and carbon dioxide concentrations: prospective randomized study.

PubMed

de la Matta-Martín, M; López-Herrera, D; Luis-Navarro, J C; López-Romero, J L

2014-02-01

We investigated how ventilation with low tidal volumes affects the pharmacokinetics of sevoflurane uptake during the first minutes of inhaled anaesthesia. Forty-eight patients scheduled for lung resection were randomly assigned to three groups. Patients in group 1, 2 and 3 received 3% sevoflurane for 3 min via face mask and controlled ventilation with a tidal volume of 2.2, 8 and 12 ml kg(-1), respectively (Phase 1). After tracheal intubation (Phase 2), 3% sevoflurane was supplied for 2 min using a tidal volume of 8 ml kg(-1) (Phase 3). End-tidal sevoflurane concentrations were significantly higher in group 1 at the end of phase 1 and lower at the end of phase 2 than in the other groups as follows: median of 2.5%, 2.2% and 2.3% in phase 1 for groups 1, 2 and 3, respectively (P<0.001); and 1.7%, 2.1% and 2.0% in phase 2, respectively (P<0.001). End-tidal carbon dioxide values in group 1 were significantly lower at the end of phase 1 and higher at the end of phase 2 than in the other groups as follows: median of 16.5, 31 and 29.5 mm Hg in phase 1 for groups 1, 2 and 3, respectively (P<0.001); and 46.2, 36 and 33.5 mm Hg in phase 2, respectively (P<0.001). When sevoflurane is administered with tidal volume approximating the airway dead space volume, end-tidal sevoflurane and end-tidal carbon dioxide may not correctly reflect the concentration of these gases in the alveoli, leading to misinterpretation of expired gas data. Copyright © 2013 Sociedad Española de Anestesiología, Reanimación y Terapéutica del Dolor. Published by Elsevier España. All rights reserved.

Effective conductivity of suspensions of hard spheres by Brownian motion simulation

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

Chan Kim, I.; Torquato, S.

1991-02-15

A generalized Brownian motion simulation technique developed by Kim and Torquato (J. Appl. Phys. {bold 68}, 3892 (1990)) is applied to compute exactly'' the effective conductivity {sigma}{sub {ital e}} of heterogeneous media composed of regular and random distributions of hard spheres of conductivity {sigma}{sub 2} in a matrix of conductivity {sigma}{sub 1} for virtually the entire volume fraction range and for several values of the conductivity ratio {alpha}={sigma}{sub 2}/{sigma}{sub 1}, including superconducting spheres ({alpha}={infinity}) and perfectly insulating spheres ({alpha}=0). A key feature of the procedure is the use of {ital first}-{ital passage}-{ital time} equations in the two homogeneous phases andmore » at the two-phase interface. The method is shown to yield {sigma}{sub {ital e}} accurately with a comparatively fast execution time. The microstructure-sensitive analytical approximation of {sigma}{sub {ital e}} for dispersions derived by Torquato (J. Appl. Phys. {bold 58}, 3790 (1985)) is shown to be in excellent agreement with our data for random suspensions for the wide range of conditions reported here.« less

Robust portfolio selection based on asymmetric measures of variability of stock returns

NASA Astrophysics Data System (ADS)

Chen, Wei; Tan, Shaohua

2009-10-01

This paper addresses a new uncertainty set--interval random uncertainty set for robust optimization. The form of interval random uncertainty set makes it suitable for capturing the downside and upside deviations of real-world data. These deviation measures capture distributional asymmetry and lead to better optimization results. We also apply our interval random chance-constrained programming to robust mean-variance portfolio selection under interval random uncertainty sets in the elements of mean vector and covariance matrix. Numerical experiments with real market data indicate that our approach results in better portfolio performance.

Two Models of Time Constrained Target Travel between Two Endpoints Constructed by the Application of Brownian Motion and a Random Tour.

DTIC Science & Technology

1983-03-01

the Naval Postgraduate School. As my *advisor, Prof. Gaver suggested and derived the Brownian bridge, as well as nudged me in the right direction when...the * random tour process by deriving the mean square radial distance for a random tour with arbitrary course change distribution to be: EECR I2(V / 2...random tour model, li = Iy = 8, and equation (3)x y results as expected. The notion of an arbitrary course change distribution is important because the

First-Principles Study on the Ferromagnetism and Curie Temperature of Mn-Doped AlX and InX (X=N, P, As, and Sb)

NASA Astrophysics Data System (ADS)

Sato, Kazunori; Dederichs, Peter H.; Katayama-Yoshida, Hiroshi

2007-02-01

We investigate the electronic structure and magnetic properties of AlN-, AlP-, AlAs-, AlSb-, InN-, InP-, InAs-, and InSb-based dilute magnetic semiconductors (DMS) with Mn impurities from first-principles. The electronic structure of DMS is calculated by using the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) method in connection with the local density approximation (LDA) and the LDA+U method. Describing the magnetic properties by a classical Heisenberg model, effective exchange interactions are calculated by applying magnetic force theorem for two impurities embedded in the CPA medium. With the calculated exchange interactions, TC is estimated by using the mean field approximation, the random phase approximation and the Monte Carlo simulation. It is found that the p-d exchange model [Dietl et al.: Science 287 (2000) 1019] is adequate for a limited class of DMS and insufficient to describe the ferromagnetism in wide gap semiconductor based DMS such as (Ga,Mn)N and the presently investigated (Al,Mn)N and (In,Mn)N.

Forward Modeling of Atmospheric Carbon Dioxide in GEOS-5: Uncertainties Related to Surface Fluxes and Sub-Grid Transport

NASA Technical Reports Server (NTRS)

Pawson, Steven; Ott, Lesley E.; Zhu, Zhengxin; Bowman, Kevin; Brix, Holger; Collatz, G. James; Dutkiewicz, Stephanie; Fisher, Joshua B.; Gregg, Watson W.; Hill, Chris;

A sequential solution for anisotropic total variation image denoising with interval constraints

NASA Astrophysics Data System (ADS)

Xu, Jingyan; Noo, Frédéric

2017-09-01

We show that two problems involving the anisotropic total variation (TV) and interval constraints on the unknown variables admit, under some conditions, a simple sequential solution. Problem 1 is a constrained TV penalized image denoising problem; problem 2 is a constrained fused lasso signal approximator. The sequential solution entails finding first the solution to the unconstrained problem, and then applying a thresholding to satisfy the constraints. If the interval constraints are uniform, this sequential solution solves problem 1. If the interval constraints furthermore contain zero, the sequential solution solves problem 2. Here uniform interval constraints refer to all unknowns being constrained to the same interval. A typical example of application is image denoising in x-ray CT, where the image intensities are non-negative as they physically represent linear attenuation coefficient in the patient body. Our results are simple yet seem unknown; we establish them using the Karush-Kuhn-Tucker conditions for constrained convex optimization.

Existence and Optimality Conditions for Risk-Averse PDE-Constrained Optimization

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

Kouri, Drew Philip; Surowiec, Thomas M.

Uncertainty is ubiquitous in virtually all engineering applications, and, for such problems, it is inadequate to simulate the underlying physics without quantifying the uncertainty in unknown or random inputs, boundary and initial conditions, and modeling assumptions. Here in this paper, we introduce a general framework for analyzing risk-averse optimization problems constrained by partial differential equations (PDEs). In particular, we postulate conditions on the random variable objective function as well as the PDE solution that guarantee existence of minimizers. Furthermore, we derive optimality conditions and apply our results to the control of an environmental contaminant. Lastly, we introduce a new riskmore » measure, called the conditional entropic risk, that fuses desirable properties from both the conditional value-at-risk and the entropic risk measures.« less

Existence and Optimality Conditions for Risk-Averse PDE-Constrained Optimization

DOE PAGES

Kouri, Drew Philip; Surowiec, Thomas M.

2018-06-05

Uncertainty is ubiquitous in virtually all engineering applications, and, for such problems, it is inadequate to simulate the underlying physics without quantifying the uncertainty in unknown or random inputs, boundary and initial conditions, and modeling assumptions. Here in this paper, we introduce a general framework for analyzing risk-averse optimization problems constrained by partial differential equations (PDEs). In particular, we postulate conditions on the random variable objective function as well as the PDE solution that guarantee existence of minimizers. Furthermore, we derive optimality conditions and apply our results to the control of an environmental contaminant. Lastly, we introduce a new riskmore » measure, called the conditional entropic risk, that fuses desirable properties from both the conditional value-at-risk and the entropic risk measures.« less

Relativistic effects in photoionization: Wigner time delay for the noble gases and IIB atoms

NASA Astrophysics Data System (ADS)

Banerjee, Sourav; Deshmukh, Pranawa; Dolmatov, Valeriy; Kheifets, Anatoli; Manson, Steven

2017-04-01

Time delay in atomic photoionization has been observed in several experiments, and various theoretical and experimental approaches are developing rapidly to obtain a better understanding of this phenomena. Theoretical methods that account for many body correlations include the relativistic random phase approximation (RRPA) and its non-relativistic analogue, RPAE. Calculations using RRPA are performed and the impact of relativistic interactions on Wigner time delay are explored via comparison of this result with RPAE results. In addition, results on Wigner time delay for Zn Cd and Hg are presented.

Angle-resolved Wigner time delay in atomic photoionization: The 4 d subshell of free and confined Xe

NASA Astrophysics Data System (ADS)

Mandal, A.; Deshmukh, P. C.; Kheifets, A. S.; Dolmatov, V. K.; Manson, S. T.

2017-11-01

The angular dependence of photoemission time delay for the inner n d3 /2 and n d5 /2 subshells of free and confined Xe is studied in the dipole relativistic random phase approximation. A finite spherical annular well potential is used to model the confinement due to fullerene C60 cage. Near cancellations in a variety of the dipole amplitudes, Cooper-like minima, are found. The effects of confinement on the angular dependence, primarily confinement resonances, are demonstrated and detailed.

Single-particle excitations in periodically modulated two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Kushwaha, Manvir S.

2008-06-01

A theoretical investigation is made of the plasmon excitations in a two-dimensional electron gas subjected to a one-dimensional periodic potential. We embark on the single-particle excitations within a two-subband model in the framework of Bohm-Pines’ random-phase approximation. For such an anisotropic system with spatially modulated charge density, we observe the existence of interesting esthetic necktie gaps that are found to center at the zone boundaries within the intersubband single-particle excitations. We discuss the dependence of the size of necktie gaps on the modulation potential.

Quantum chaos on a critical Fermi surface.

PubMed

Patel, Aavishkar A; Sachdev, Subir

2017-02-21

We compute parameters characterizing many-body quantum chaos for a critical Fermi surface without quasiparticle excitations. We examine a theory of [Formula: see text] species of fermions at nonzero density coupled to a [Formula: see text] gauge field in two spatial dimensions and determine the Lyapunov rate and the butterfly velocity in an extended random-phase approximation. The thermal diffusivity is found to be universally related to these chaos parameters; i.e., the relationship is independent of [Formula: see text], the gauge-coupling constant, the Fermi velocity, the Fermi surface curvature, and high-energy details.

Isoscalar giant resonances in Ca48

NASA Astrophysics Data System (ADS)

Lui, Y.-W.; Youngblood, D. H.; Shlomo, S.; Chen, X.; Tokimoto, Y.; Krishichayan; Anders, M.; Button, J.

2011-04-01

The giant resonance region from 9.5 MeV < Ex < 40 MeV in Ca48 has been studied with inelastic scattering of 240-MeV α particles at small angles, including 0°. 95-15+11% of E0 energy-weighted sum rule (EWSR), 83-16+10% of E2 EWSR, and 137 ± 20% of E1 EWSR were located below Ex=40 MeV. A comparison of the experimental data with calculated results for the isoscalar giant monopole resonance, obtained within the mean-field-based random-phase approximation, is also given.

Variational method of determining effective moduli of polycrystals with tetragonal symmetry

USGS Publications Warehouse

Meister, R.; Peselnick, L.

1966-01-01

Variational principles have been applied to aggregates of randomly oriented pure-phase polycrystals having tetragonal symmetry. The bounds of the effective elastic moduli obtained in this way show a substantial improvement over the bounds obtained by means of the Voigt and Reuss assumptions. The Hill average is found to be a good approximation in most cases when compared to the bounds found from the variational method. The new bounds reduce in their limits to the Voigt and Reuss values. ?? 1966 The American Institute of Physics.

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

Moller, Peter; Pereira, J; Hennrich, S

Measurements of the {beta}-decay properties of A {approx}< 110 r-process nuclei have been completed at the National Superconducting Cyclotron Laboratory, at Michigan State University. {beta}-decay half-lives for {sup 105}Y, {sup 106,107}Zr and {sup 108,111}Mo, along with ,B-delayed neutron emission probabilities of 104Y, 109,11OMo and upper limits for 105Y, 103-107Zr and 108,111 Mo have been measured for the first time. Studies on the basis of the quasi-random phase approximation are used to analyze the ground-state deformation of these nuclei.

Implementation of a finite-amplitude method in a relativistic meson-exchange model

NASA Astrophysics Data System (ADS)

Sun, Xuwei; Lu, Dinghui

2017-08-01

The finite-amplitude method is a feasible numerical approach to large scale random phase approximation calculations. It avoids the storage and calculation of residual interaction elements as well as the diagonalization of the RPA matrix, which will be prohibitive when the configuration space is huge. In this work we finished the implementation of a finite-amplitude method in a relativistic meson exchange mean field model with axial symmetry. The direct variation approach makes our FAM scheme capable of being extended to the multipole excitation case.

Microscopic Lagrangian description of warm plasmas. III - Nonlinear wave-particle interaction

NASA Technical Reports Server (NTRS)

Galloway, J. J.; Crawford, F. W.

1977-01-01

The averaged-Lagrangian method is applied to nonlinear wave-particle interactions in an infinite, homogeneous, magnetic-field-free plasma. The specific example of Langmuir waves is considered, and the combined effects of four-wave interactions and wave-particle interactions are treated. It is demonstrated how the latter lead to diffusion in velocity space, and the quasilinear diffusion equation is derived. The analysis is generalized to the random phase approximation. The paper concludes with a summary of the method as applied in Parts 1-3 of the paper.

Far-from-equilibrium bidirectional transport system with constrained entrances competing for pool of limited resources

NASA Astrophysics Data System (ADS)

Verma, Atul Kumar; Sharma, Natasha; Gupta, Arvind Kumar

2018-02-01

Motivated by the wide occurrence of limited resources in many real-life systems, we investigate two-lane totally asymmetric simple exclusion process with constrained entrances under finite supply of particles. We analyze the system within the framework of mean-field theory and examine various complex phenomena, including phase separation, phase transition, and symmetry breaking. Based on the theoretical analysis, we analytically derive the phase boundaries for various symmetric as well as asymmetric phases. It has been observed that the symmetry-breaking phenomenon initiates even for very small number of particles in the system. The phases with broken symmetry originates as shock-low density phase under limited resources, which is in contrast to the scenario with infinite number of particles. As expected, the symmetry breaking continues to persist even for higher values of system particles. Seven stationary phases are observed, with three of them exhibiting symmetry-breaking phenomena. The critical values of a total number of system particles, beyond which various symmetrical and asymmetrical phases appear and disappear are identified. Theoretical outcomes are supported by extensive Monte Carlo simulations. Finally, the size-scaling effect and symmetry-breaking phenomenon on the simulation results have also been examined based on particle density histograms.

Improving approximate-optimized effective potentials by imposing exact conditions: Theory and applications to electronic statics and dynamics

NASA Astrophysics Data System (ADS)

Kurzweil, Yair; Head-Gordon, Martin

2009-07-01

We develop a method that can constrain any local exchange-correlation potential to preserve basic exact conditions. Using the method of Lagrange multipliers, we calculate for each set of given Kohn-Sham orbitals a constraint-preserving potential which is closest to the given exchange-correlation potential. The method is applicable to both the time-dependent (TD) and independent cases. The exact conditions that are enforced for the time-independent case are Galilean covariance, zero net force and torque, and Levy-Perdew virial theorem. For the time-dependent case we enforce translational covariance, zero net force, Levy-Perdew virial theorem, and energy balance. We test our method on the exchange (only) Krieger-Li-Iafrate (xKLI) approximate-optimized effective potential for both cases. For the time-independent case, we calculated the ground state properties of some hydrogen chains and small sodium clusters for some constrained xKLI potentials and Hartree-Fock (HF) exchange. The results (total energy, Kohn-Sham eigenvalues, polarizability, and hyperpolarizability) indicate that enforcing the exact conditions is not important for these cases. On the other hand, in the time-dependent case, constraining both energy balance and zero net force yields improved results relative to TDHF calculations. We explored the electron dynamics in small sodium clusters driven by cw laser pulses. For each laser pulse we compared calculations from TD constrained xKLI, TD partially constrained xKLI, and TDHF. We found that electron dynamics such as electron ionization and moment of inertia dynamics for the constrained xKLI are most similar to the TDHF results. Also, energy conservation is better by at least one order of magnitude with respect to the unconstrained xKLI. We also discuss the problems that arise in satisfying constraints in the TD case with a non-cw driving force.

Improving approximate-optimized effective potentials by imposing exact conditions: Theory and applications to electronic statics and dynamics

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

Kurzweil, Yair; Head-Gordon, Martin

2009-07-15

We develop a method that can constrain any local exchange-correlation potential to preserve basic exact conditions. Using the method of Lagrange multipliers, we calculate for each set of given Kohn-Sham orbitals a constraint-preserving potential which is closest to the given exchange-correlation potential. The method is applicable to both the time-dependent (TD) and independent cases. The exact conditions that are enforced for the time-independent case are Galilean covariance, zero net force and torque, and Levy-Perdew virial theorem. For the time-dependent case we enforce translational covariance, zero net force, Levy-Perdew virial theorem, and energy balance. We test our method on the exchangemore » (only) Krieger-Li-Iafrate (xKLI) approximate-optimized effective potential for both cases. For the time-independent case, we calculated the ground state properties of some hydrogen chains and small sodium clusters for some constrained xKLI potentials and Hartree-Fock (HF) exchange. The results (total energy, Kohn-Sham eigenvalues, polarizability, and hyperpolarizability) indicate that enforcing the exact conditions is not important for these cases. On the other hand, in the time-dependent case, constraining both energy balance and zero net force yields improved results relative to TDHF calculations. We explored the electron dynamics in small sodium clusters driven by cw laser pulses. For each laser pulse we compared calculations from TD constrained xKLI, TD partially constrained xKLI, and TDHF. We found that electron dynamics such as electron ionization and moment of inertia dynamics for the constrained xKLI are most similar to the TDHF results. Also, energy conservation is better by at least one order of magnitude with respect to the unconstrained xKLI. We also discuss the problems that arise in satisfying constraints in the TD case with a non-cw driving force.« less

Triadic Gaze Intervention for Young Children with Physical Disabilities

PubMed Central

Olswang, Lesley B.; Dowden, Patricia; Feuerstein, Julie; Greenslade, Kathryn; Pinder, Gay Lloyd; Fleming, Kandace

2018-01-01

Purpose This randomized controlled study investigated whether a supplemental treatment designed to teach triadic gaze (TG) as a signal of coordinated joint attention (CJA) would yield a significantly greater increase in TG in the experimental versus control group. Method Eighteen 10- to 24-month-old children with severe motor impairments were randomly assigned to an experimental (n=9) or control group (n=9). For approximately 29 sessions over 17 weeks, experimental participants received TG treatment twice weekly with a speech-language pathologist (SLP) in addition to standard practice. Controls received only standard practice from birth-to-three therapists. Coders masked to group assignment coded TG productions with an unfamiliar SLP at baseline, every three weeks during the experimental phase, and at the final measurement session. Results TG increased across groups from baseline to final measurement, with the experimental group showing slightly greater change. Performance trends were examined using experimental phase moving averages. Comparisons revealed significant differences between groups at two time points (at 12 weeks, r= .30, a medium effect and at the end of the phase r=.50, large effect). Conclusion Results suggest the promise of a short-term, focused treatment to teach TG as a behavioral manifestation of CJA to children with severe physical disabilities. PMID:24686825

Directional constraint of endpoint force emerges from hindlimb anatomy.

PubMed

Bunderson, Nathan E; McKay, J Lucas; Ting, Lena H; Burkholder, Thomas J

2010-06-15

Postural control requires the coordination of force production at the limb endpoints to apply an appropriate force to the body. Subjected to horizontal plane perturbations, quadruped limbs stereotypically produce force constrained along a line that passes near the center of mass. This phenomenon, referred to as the force constraint strategy, may reflect mechanical constraints on the limb or body, a specific neural control strategy or an interaction among neural controls and mechanical constraints. We used a neuromuscular model of the cat hindlimb to test the hypothesis that the anatomical constraints restrict the mechanical action of individual muscles during stance and constrain the response to perturbations to a line independent of perturbation direction. In a linearized neuromuscular model of the cat hindlimb, muscle lengthening directions were highly conserved across 10,000 different muscle activation patterns, each of which produced an identical, stance-like endpoint force. These lengthening directions were closely aligned with the sagittal plane and reveal an anatomical structure for directionally constrained force responses. Each of the 10,000 activation patterns was predicted to produce stable stance based on Lyapunov stability analysis. In forward simulations of the nonlinear, seven degree of freedom model under the action of 200 random muscle activation patterns, displacement of the endpoint from its equilibrium position produced restoring forces, which were also biased toward the sagittal plane. The single exception was an activation pattern based on minimum muscle stress optimization, which produced destabilizing force responses in some perturbation directions. The sagittal force constraint increased during simulations as the system shifted from an inertial response during the acceleration phase to a viscoelastic response as peak velocity was obtained. These results qualitatively match similar experimental observations and suggest that the force constraint phenomenon may result from the anatomical arrangement of the limb.

Directional constraint of endpoint force emerges from hindlimb anatomy

PubMed Central

Bunderson, Nathan E.; McKay, J. Lucas; Ting, Lena H.; Burkholder, Thomas J.

2010-01-01

Postural control requires the coordination of force production at the limb endpoints to apply an appropriate force to the body. Subjected to horizontal plane perturbations, quadruped limbs stereotypically produce force constrained along a line that passes near the center of mass. This phenomenon, referred to as the force constraint strategy, may reflect mechanical constraints on the limb or body, a specific neural control strategy or an interaction among neural controls and mechanical constraints. We used a neuromuscular model of the cat hindlimb to test the hypothesis that the anatomical constraints restrict the mechanical action of individual muscles during stance and constrain the response to perturbations to a line independent of perturbation direction. In a linearized neuromuscular model of the cat hindlimb, muscle lengthening directions were highly conserved across 10,000 different muscle activation patterns, each of which produced an identical, stance-like endpoint force. These lengthening directions were closely aligned with the sagittal plane and reveal an anatomical structure for directionally constrained force responses. Each of the 10,000 activation patterns was predicted to produce stable stance based on Lyapunov stability analysis. In forward simulations of the nonlinear, seven degree of freedom model under the action of 200 random muscle activation patterns, displacement of the endpoint from its equilibrium position produced restoring forces, which were also biased toward the sagittal plane. The single exception was an activation pattern based on minimum muscle stress optimization, which produced destabilizing force responses in some perturbation directions. The sagittal force constraint increased during simulations as the system shifted from an inertial response during the acceleration phase to a viscoelastic response as peak velocity was obtained. These results qualitatively match similar experimental observations and suggest that the force constraint phenomenon may result from the anatomical arrangement of the limb. PMID:20511528

Role of fluctuations in random compressible systems at marginal dimensionality

NASA Astrophysics Data System (ADS)

Meissner, G.; Sasvári, L.; Tadić, B.

1986-07-01

In a unified treatment we have studied the role of fluctuations in uniaxial random systems at marginal dimensionality d*=4 with the n=1 component order parameter being coupled to elastic degrees of freedom. Depending on the ratio of the nonuniversal parameters of quenched disorder Δ0 and of elastic fluctuations v~0, a first- or second-order phase transition is found to occur, separated by a tricritical point. A complete account of critical properties and of macroscopic as well as of microscopic elastic stability is given for temperatures T>Tc. Universal singularities of thermodynamic functions are determined for t=(T-Tc)/Tc-->0 including the tricritical point: for v~0/Δ0>-2, they are the same as in a rigid random system; for v~0/Δ0=-2, they are different due to lattice compressibility being related, however, to the former by Fisher renormalization. Fluctuation corrections in one-loop approximation have been evaluated in a nonuniversal critical temperature range, tx<

Extended Plefka expansion for stochastic dynamics

NASA Astrophysics Data System (ADS)

Bravi, B.; Sollich, P.; Opper, M.

2016-05-01

We propose an extension of the Plefka expansion, which is well known for the dynamics of discrete spins, to stochastic differential equations with continuous degrees of freedom and exhibiting generic nonlinearities. The scenario is sufficiently general to allow application to e.g. biochemical networks involved in metabolism and regulation. The main feature of our approach is to constrain in the Plefka expansion not just first moments akin to magnetizations, but also second moments, specifically two-time correlations and responses for each degree of freedom. The end result is an effective equation of motion for each single degree of freedom, where couplings to other variables appear as a self-coupling to the past (i.e. memory term) and a coloured noise. This constitutes a new mean field approximation that should become exact in the thermodynamic limit of a large network, for suitably long-ranged couplings. For the analytically tractable case of linear dynamics we establish this exactness explicitly by appeal to spectral methods of random matrix theory, for Gaussian couplings with arbitrary degree of symmetry.

Star formation history: Modeling of visual binaries

NASA Astrophysics Data System (ADS)

Gebrehiwot, Y. M.; Tessema, S. B.; Malkov, O. Yu.; Kovaleva, D. A.; Sytov, A. Yu.; Tutukov, A. V.

2018-05-01

Most stars form in binary or multiple systems. Their evolution is defined by masses of components, orbital separation and eccentricity. In order to understand star formation and evolutionary processes, it is vital to find distributions of physical parameters of binaries. We have carried out Monte Carlo simulations in which we simulate different pairing scenarios: random pairing, primary-constrained pairing, split-core pairing, and total and primary pairing in order to get distributions of binaries over physical parameters at birth. Next, for comparison with observations, we account for stellar evolution and selection effects. Brightness, radius, temperature, and other parameters of components are assigned or calculated according to approximate relations for stars in different evolutionary stages (main-sequence stars, red giants, white dwarfs, relativistic objects). Evolutionary stage is defined as a function of system age and component masses. We compare our results with the observed IMF, binarity rate, and binary mass-ratio distributions for field visual binaries to find initial distributions and pairing scenarios that produce observed distributions.

The Mystery of Io's Warm Polar Regions: Implications for Heat Flow

NASA Technical Reports Server (NTRS)

Matson, D. L.; Veeder, G. J.; Johnson, T. V.; Blaney, D. L.; Davies, A. G.

2002-01-01

Unexpectedly warm polar temperatures further support the idea that Io is covered virtually everywhere by cooling lava flows. This implies a new heat flow component. Io's heat flow remains constrained between a lower bound of (approximately) 2.5 W m(exp -2) and an upper bound of (approximately) 13 W m(exp -2). Additional information is contained in the original extended abstract.

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

PubMed

Follmann, D; Wu, M

1995-03-01

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

Buckling failure of square ice-nanotube arrays constrained in graphene nanocapillaries

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

Zhu, YinBo; Wang, FengChao, E-mail: wangfc@ustc.edu.cn; Wu, HengAn

Graphene confinement provides a new physical and mechanical environment with ultrahigh van der Waals pressure, resulting in new quasi-two-dimensional phases of few-layer ice. Polymorphic transition can occur in bilayer constrained water/ice system. Here, we perform a comprehensive study of the phase transition of AA-stacked bilayer water constrained within a graphene nanocapillary. The compression-limit and superheating-limit (phase) diagrams are obtained, based on the extensive molecular-dynamics simulations at numerous thermodynamic states. Liquid-to-solid, solid-to-solid, and solid-to-liquid-to-solid phase transitions are observed in the compression and superheating of bilayer water. Interestingly, there is a temperature threshold (∼275 K) in the compression-limit diagram, which indicates thatmore » the first-order and continuous-like phase transitions of bilayer water depend on the temperature. Two obviously different physical processes, compression and superheating, display similar structural evolution; that is, square ice-nanotube arrays (BL-VHDI) will bend first and then transform into bilayer triangular AA stacking ice (BL-AAI). The superheating limit of BL-VHDI exhibits local maxima, while that of BL-AAI increases monotonically. More importantly, from a mechanics point of view, we propose a novel mechanism of the transformation from BL-VHDI to BL-AAI, both for the compression and superheating limits. This structural transformation can be regarded as the “buckling failure” of the square-ice-nanotube columns, which is dominated by the lateral pressure.« less

Safety and Efficacy of the ACE-Inhibitor Ramipril in Alport Syndrome: The Double-Blind, Randomized, Placebo-Controlled, Multicenter Phase III EARLY PRO-TECT Alport Trial in Pediatric Patients.

PubMed

Gross, Oliver; Friede, Tim; Hilgers, Reinhard; Görlitz, Anke; Gavénis, Karsten; Ahmed, Raees; Dürr, Ulrike

2012-01-01

Introduction. Retrospective observational data show that ACE-inhibitor therapy delays renal failure and improves life expectancy in Alport patients with proteinuria. The EARLY PRO-TECT Alport trial assesses the safety and efficacy of early therapy onset with ramipril in pediatric Alport patients. Methods and analysis. This double-blind, randomized, placebo-controlled, multicenter phase III trial (NCT01485978; EudraCT-number 2010-024300-10) includes 120 pediatric patients aged 24 months to 18 years with early stages of Alport syndrome (isolated hematuria or microalbuminuria). From March 2012, up to 80 patients will be randomized 1:1 to ramipril or placebo. In the event of disease progression during 3-year treatment, patients are unblinded and ramipril is initiated, if applicable. Approximately 40 patients receive open-label ramipril contributing to the safety database. Primary end-points are "time to progression to next disease level" and "incidence of adverse drug events before disease progression." Treatment effect estimates from the randomized comparison and Alport registry data will be combined in supportive analyses to maximize evidence. Conclusion. Without this trial, ACE inhibitors may become standard off-label treatment in Alport syndrome without satisfactory evidence base. The results are expected to be of relevance for therapy of all pediatric patients with kidney disease, and the trial protocol might serve as a model for other rare pediatric glomerulopathies.

Constraining Aerosol Properties with the Spectrally-Resolved Phase Function of Pluto's Hazes

NASA Astrophysics Data System (ADS)

Parker, A. H.; Howett, C.; Olkin, C.; Protopapa, S.; Grundy, W. M.; Gladstone, R.; Young, L. A.; Horst, S. M.; Weaver, H. A., Jr.; Moore, J. M.; Ennico Smith, K.; Stern, A.

2017-12-01

The Multi-spectral Visible Imaging Camera (MVIC) and Lisa Hardaway Infrared Mapping Spectrometer (LEISA) aboard New Horizons imaged Pluto at high phase throughout departure from the system in July of 2015. The repeated MVIC color scans captured the phase behavior of Pluto's atmospheric hazes through phase angles of 165.0 to 169.5 degrees in four bandpasses in the visible and NIR. A spatially-resolved departure LEISA scan delivered moderate SNR NIR spectra of the hazes over wavelengths from 1.25 - 2.5 microns. Here we present our analysis of the departure MVIC and LEISA data, extracting high precision color phase curves of the hazes using the most up-to-date radiometric calibration and NIR gain drift corrections. We interpret these phase curves and spectra using Mie theory to constrain the size and composition of haze particles, with results indicating broad similarity to Titan aerosol analogues ("tholins"). Finally, we will explore the implications of the nature of these haze particles for the evolution of Pluto's surface as they settle out onto it over time.

Isoscalar and isovector giant resonances in a self-consistent phonon coupling approach

NASA Astrophysics Data System (ADS)

Lyutorovich, N.; Tselyaev, V.; Speth, J.; Krewald, S.; Grümmer, F.; Reinhard, P.-G.

2015-10-01

We present fully self-consistent calculations of isoscalar giant monopole and quadrupole as well as isovector giant dipole resonances in heavy and light nuclei. The description is based on Skyrme energy-density functionals determining the static Hartree-Fock ground state and the excitation spectra within random-phase approximation (RPA) and RPA extended by including the quasiparticle-phonon coupling at the level of the time-blocking approximation (TBA). All matrix elements were derived consistently from the given energy-density functional and calculated without any approximation. As a new feature in these calculations, the single-particle continuum was included thus avoiding the artificial discretization usually implied in RPA and TBA. The step to include phonon coupling in TBA leads to small, but systematic, down shifts of the centroid energies of the giant resonances. These shifts are similar in size for all Skyrme parametrizations investigated here. After all, we demonstrate that one can find Skyrme parametrizations which deliver a good simultaneous reproduction of all three giant resonances within TBA.

Efficient calculation of beyond RPA correlation energies in the dielectric matrix formalism

NASA Astrophysics Data System (ADS)

Beuerle, Matthias; Graf, Daniel; Schurkus, Henry F.; Ochsenfeld, Christian

2018-05-01

We present efficient methods to calculate beyond random phase approximation (RPA) correlation energies for molecular systems with up to 500 atoms. To reduce the computational cost, we employ the resolution-of-the-identity and a double-Laplace transform of the non-interacting polarization propagator in conjunction with an atomic orbital formalism. Further improvements are achieved using integral screening and the introduction of Cholesky decomposed densities. Our methods are applicable to the dielectric matrix formalism of RPA including second-order screened exchange (RPA-SOSEX), the RPA electron-hole time-dependent Hartree-Fock (RPA-eh-TDHF) approximation, and RPA renormalized perturbation theory using an approximate exchange kernel (RPA-AXK). We give an application of our methodology by presenting RPA-SOSEX benchmark results for the L7 test set of large, dispersion dominated molecules, yielding a mean absolute error below 1 kcal/mol. The present work enables calculating beyond RPA correlation energies for significantly larger molecules than possible to date, thereby extending the applicability of these methods to a wider range of chemical systems.

Phase stability and dynamics of entangled polymer-nanoparticle composites

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

Mangal, Rahul; Srivastava, Samanvaya; Archer, Lynden A.

Nanoparticle–polymer composites, or polymer–nanoparticle composites (PNCs), exhibit unusual mechanical and dynamical features when the particle size approaches the random coil dimensions of the host polymer. Here, we harness favourable enthalpic interactions between particle-tethered and free, host polymer chains to create model PNCs, in which spherical nanoparticles are uniformly dispersed in high molecular weight entangled polymers. Investigation of the mechanical properties of these model PNCs reveals that the nanoparticles have profound effects on the host polymer motions on all timescales. On short timescales, nanoparticles slow-down local dynamics of the host polymer segments and lower the glass transition temperature. On intermediate timescales,more » where polymer chain motion is typically constrained by entanglements with surrounding molecules, nanoparticles provide additional constraints, which lead to an early onset of entangled polymer dynamics. Finally, on long timescales, nanoparticles produce an apparent speeding up of relaxation of their polymer host.« less

The gabbro-eclogite phase transition and the elevation of mountain belts on Venus

NASA Astrophysics Data System (ADS)

Namiki, Noriyuki; Solomon, Sean C.

1992-12-01

Among the four mountain belts surrounding Lakshmi Planum, Maxwell Montes is the highest and stands up to 11 km above the mean planetary radius and 7 km above Lakshmi Planum. The bulk composition and radioactive heat production of the crust on Venus, where measured, are similar to those of terrestrial tholeiitic basalt. Because the thickness of the low-density crust may be limited by the gabbro-garnet granulite-eclogite phase transitions, the 7-11 km maximum elevation of Maxwell Montes is difficult to understand except in the unlikely situation that the crust contains a large volume of magma. A possible explanation is that the base of the crust is not in phase equilibrium. It has been suggested that under completely dry conditions, the gabbro-eclogite phase transition takes place by solid-state diffusion and may require a geologically significant time to run to completion. Solid-state diffusion is a strongly temperature-dependent process. In this paper we solve the thermal evolution of the mountain belt to attempt to constrain the depth of the gabbro-eclogite transition and thus to assess this hypothesis quantitatively. The one-dimensional heat equation is solved numerically by a finite difference approximation. The deformation of the horizontally shortening crustal and mantle portions of the thermal boundary layer is assumed to occur by pure shear, and therefore the vertical velocity is given by the product of the horizontal strain rate and depth.

The gabbro-eclogite phase transition and the elevation of mountain belts on Venus

NASA Technical Reports Server (NTRS)

Namiki, Noriyuki; Solomon, Sean C.

1992-01-01

Among the four mountain belts surrounding Lakshmi Planum, Maxwell Montes is the highest and stands up to 11 km above the mean planetary radius and 7 km above Lakshmi Planum. The bulk composition and radioactive heat production of the crust on Venus, where measured, are similar to those of terrestrial tholeiitic basalt. Because the thickness of the low-density crust may be limited by the gabbro-garnet granulite-eclogite phase transitions, the 7-11 km maximum elevation of Maxwell Montes is difficult to understand except in the unlikely situation that the crust contains a large volume of magma. A possible explanation is that the base of the crust is not in phase equilibrium. It has been suggested that under completely dry conditions, the gabbro-eclogite phase transition takes place by solid-state diffusion and may require a geologically significant time to run to completion. Solid-state diffusion is a strongly temperature-dependent process. In this paper we solve the thermal evolution of the mountain belt to attempt to constrain the depth of the gabbro-eclogite transition and thus to assess this hypothesis quantitatively. The one-dimensional heat equation is solved numerically by a finite difference approximation. The deformation of the horizontally shortening crustal and mantle portions of the thermal boundary layer is assumed to occur by pure shear, and therefore the vertical velocity is given by the product of the horizontal strain rate and depth.

Smooth Approximation l 0-Norm Constrained Affine Projection Algorithm and Its Applications in Sparse Channel Estimation

PubMed Central

2014-01-01

We propose a smooth approximation l 0-norm constrained affine projection algorithm (SL0-APA) to improve the convergence speed and the steady-state error of affine projection algorithm (APA) for sparse channel estimation. The proposed algorithm ensures improved performance in terms of the convergence speed and the steady-state error via the combination of a smooth approximation l 0-norm (SL0) penalty on the coefficients into the standard APA cost function, which gives rise to a zero attractor that promotes the sparsity of the channel taps in the channel estimation and hence accelerates the convergence speed and reduces the steady-state error when the channel is sparse. The simulation results demonstrate that our proposed SL0-APA is superior to the standard APA and its sparsity-aware algorithms in terms of both the convergence speed and the steady-state behavior in a designated sparse channel. Furthermore, SL0-APA is shown to have smaller steady-state error than the previously proposed sparsity-aware algorithms when the number of nonzero taps in the sparse channel increases. PMID:24790588

Supernova neutrino physics with xenon dark matter detectors: A timely perspective

NASA Astrophysics Data System (ADS)

Lang, Rafael F.; McCabe, Christopher; Reichard, Shayne; Selvi, Marco; Tamborra, Irene

2016-11-01

Dark matter detectors that utilize liquid xenon have now achieved tonne-scale targets, giving them sensitivity to all flavors of supernova neutrinos via coherent elastic neutrino-nucleus scattering. Considering for the first time a realistic detector model, we simulate the expected supernova neutrino signal for different progenitor masses and nuclear equations of state in existing and upcoming dual-phase liquid xenon experiments. We show that the proportional scintillation signal (S2) of a dual-phase detector allows for a clear observation of the neutrino signal and guarantees a particularly low energy threshold, while the backgrounds are rendered negligible during the supernova burst. XENON1T (XENONnT and LZ; DARWIN) experiments will be sensitive to a supernova burst up to 25 (35; 65) kpc from Earth at a significance of more than 5 σ , observing approximately 35 (123; 704) events from a 27 M⊙ supernova progenitor at 10 kpc. Moreover, it will be possible to measure the average neutrino energy of all flavors, to constrain the total explosion energy, and to reconstruct the supernova neutrino light curve. Our results suggest that a large xenon detector such as DARWIN will be competitive with dedicated neutrino telescopes, while providing complementary information that is not otherwise accessible.

Why Nuclear Forensics Needs New Plasma Chemistry Data

NASA Astrophysics Data System (ADS)

Rose, T.; Armstrong, M.; Chernov, A.; Crowhurst, J.; Dai, Z.; Knight, K.; Koroglu, B.; Radousky, H.; Stavrou, E.; Weisz, D.; Zaug, J.; Azer, M.; Finko, M.; Curreli, D.

2016-10-01

The mechanisms that control the distribution of radionuclides in fallout after a nuclear detonation are not adequately constrained. Current capabilities for assessing post-detonation scenarios often rely on empirical observations and approximations. Deeper insight into chemical condensation requires a coupled experimental, theoretical, and modeling approach. The behavior of uranium during plasma condensation is perplexing. Two independent methods are being developed to investigate gas phase uranium chemistry and speciation during plasma condensation: (1) laser-induced breakdown spectroscopy and (2) a unique steady-state ICP flow reactor. Both methods use laser absorption spectroscopy to obtain in situ data for vapor phase molecular species as they form. We are developing a kinetic model to describe the relative abundance of uranium species in the evolving plasma. Characterization of the uranium-oxygen system will be followed by other chemical components, including `carrier' materials such as silica. The goal is to develop a semi-empirical model to describe the chemical fractionation of uranium during fallout formation. Prepared by LLNL under Contract DE-AC52-07NA27344. This project was sponsored in part by the Department of the Defense, Defense Threat Reduction Agency, under Grant Number HDTRA1-16-1-0020.

Mixing and electronic entropy contributions to thermal energy storage in low melting point alloys

NASA Astrophysics Data System (ADS)

Shamberger, Patrick J.; Mizuno, Yasushi; Talapatra, Anjana A.

2017-07-01

Melting of crystalline solids is associated with an increase in entropy due to an increase in configurational, rotational, and other degrees of freedom of a system. However, the magnitude of chemical mixing and electronic degrees of freedom, two significant contributions to the entropy of fusion, remain poorly constrained, even in simple 2 and 3 component systems. Here, we present experimentally measured entropies of fusion in the Sn-Pb-Bi and In-Sn-Bi ternary systems, and decouple mixing and electronic contributions. We demonstrate that electronic effects remain the dominant contribution to the entropy of fusion in multi-component post-transition metal and metalloid systems, and that excess entropy of mixing terms can be equal in magnitude to ideal mixing terms, causing regular solution approximations to be inadequate in the general case. Finally, we explore binary eutectic systems using mature thermodynamic databases, identifying eutectics containing at least one semiconducting intermetallic phase as promising candidates to exceed the entropy of fusion of monatomic endmembers, while simultaneously maintaining low melting points. These results have significant implications for engineering high-thermal conductivity metallic phase change materials to store thermal energy.

Cancellation of spurious arrivals in Green's function extraction and the generalized optical theorem

USGS Publications Warehouse

Snieder, R.; Van Wijk, K.; Haney, M.; Calvert, R.

2008-01-01

The extraction of the Green's function by cross correlation of waves recorded at two receivers nowadays finds much application. We show that for an arbitrary small scatterer, the cross terms of scattered waves give an unphysical wave with an arrival time that is independent of the source position. This constitutes an apparent inconsistency because theory predicts that such spurious arrivals do not arise, after integration over a complete source aperture. This puzzling inconsistency can be resolved for an arbitrary scatterer by integrating the contribution of all sources in the stationary phase approximation to show that the stationary phase contributions to the source integral cancel the spurious arrival by virtue of the generalized optical theorem. This work constitutes an alternative derivation of this theorem. When the source aperture is incomplete, the spurious arrival is not canceled and could be misinterpreted to be part of the Green's function. We give an example of how spurious arrivals provide information about the medium complementary to that given by the direct and scattered waves; the spurious waves can thus potentially be used to better constrain the medium. ?? 2008 The American Physical Society.

Ground-based remote sensing of thin clouds in the Arctic

NASA Astrophysics Data System (ADS)

Garrett, T. J.; Zhao, C.

2012-11-01

This paper describes a method for using interferometer measurements of downwelling thermal radiation to retrieve the properties of single-layer clouds. Cloud phase is determined from ratios of thermal emission in three "micro-windows" where absorption by water vapor is particularly small. Cloud microphysical and optical properties are retrieved from thermal emission in two micro-windows, constrained by the transmission through clouds of stratospheric ozone emission. Assuming a cloud does not approximate a blackbody, the estimated 95% confidence retrieval errors in effective radius, visible optical depth, number concentration, and water path are, respectively, 10%, 20%, 38% (55% for ice crystals), and 16%. Applied to data from the Atmospheric Radiation Measurement program (ARM) North Slope of Alaska - Adjacent Arctic Ocean (NSA-AAO) site near Barrow, Alaska, retrievals show general agreement with ground-based microwave radiometer measurements of liquid water path. Compared to other retrieval methods, advantages of this technique include its ability to characterize thin clouds year round, that water vapor is not a primary source of retrieval error, and that the retrievals of microphysical properties are only weakly sensitive to retrieved cloud phase. The primary limitation is the inapplicability to thicker clouds that radiate as blackbodies.

Primordial gravitational waves in a quantum model of big bounce

NASA Astrophysics Data System (ADS)

Bergeron, Hervé; Gazeau, Jean Pierre; Małkiewicz, Przemysław

2018-05-01

We quantise and solve the dynamics of gravitational waves in a quantum Friedmann-Lemaitre-Robertson-Walker spacetime filled with perfect fluid. The classical model is formulated canonically. The Hamiltonian constraint is de-parametrised by setting a fluid variable as the internal clock. The obtained reduced (i.e. physical) phase space is then quantised. Our quantisation procedure is implemented in accordance with two different phase space symmetries, namely, the Weyl-Heisenberg symmetry for the perturbation variables, and the affine symmetry for the background variables. As an appealing outcome, the initial singularity is removed and replaced with a quantum bounce. The quantum model depends on a free parameter that is naturally induced from quantisation and determines the scale of the bounce. We study the dynamics of the quantised gravitational waves across the bounce through three different methods ("thin-horizon", analytical and numerical) which give consistent results and we determine the primordial power spectrum for the case of radiation-dominated universe. Next, we use the instantaneous radiation-matter transition transfer function to make approximate predictions for late universe and constrain our model with LIGO and Planck data. We also give an estimate of the quantum uncertainties in the present-day universe.

Modelling the seismic properties of fast-spreading ridge crustal Low-Velocity Zones: insights from Oman gabbro textures

NASA Astrophysics Data System (ADS)

Lamoureux, Gwenaëlle; Ildefonse, Benoı̂t; Mainprice, David

1999-11-01

Although considerable progress has been made in the study of fast-spreading, mid-ocean ridge magma chambers over the past fifteen years, the fraction of melt present in the chamber remains poorly constrained and controversial. We present new constraints obtained by modelling the seismic properties of partially molten gabbros at the ridge axis. P-wave velocities at low frequencies are calculated in the foliation/lineation reference frame using a differential effective medium technique. The model takes into account the lattice preferred orientation of the crystalline phase and the average shape of the melt phase. The structural parameters are obtained from the Oman ophiolite. The structural reference frame is given by the general trend of the gabbro foliation and the melt fraction and shape are estimated using the textures of nine upper gabbro samples. The estimated melt fraction and shape depend on the assumptions regarding which part of the observed textures represent the melt in the gabbroic mush of the magma chamber. However, we can put limits on the reasonable values for the melt fraction and shape. Our results are consistent with a melt fraction of the order of 10 to 20% in the Low-Velocity Zone (i.e. the magma chamber), which is anisotropically distributed with the melt pockets preferentially aligned parallel to the foliation and approximated by oblate ellipsoids with approximate dimensions of 4 : 4 : 1. These results are also consistent with the seismic structure of the East Pacific rise at 9°30'. The anisotropic melt distribution can, at least partially, explain the vertical velocity gradient described in the LVZ.

Topological quantum error correction in the Kitaev honeycomb model

NASA Astrophysics Data System (ADS)

Lee, Yi-Chan; Brell, Courtney G.; Flammia, Steven T.

2017-08-01

The Kitaev honeycomb model is an approximate topological quantum error correcting code in the same phase as the toric code, but requiring only a 2-body Hamiltonian. As a frustrated spin model, it is well outside the commuting models of topological quantum codes that are typically studied, but its exact solubility makes it more amenable to analysis of effects arising in this noncommutative setting than a generic topologically ordered Hamiltonian. Here we study quantum error correction in the honeycomb model using both analytic and numerical techniques. We first prove explicit exponential bounds on the approximate degeneracy, local indistinguishability, and correctability of the code space. These bounds are tighter than can be achieved using known general properties of topological phases. Our proofs are specialized to the honeycomb model, but some of the methods may nonetheless be of broader interest. Following this, we numerically study noise caused by thermalization processes in the perturbative regime close to the toric code renormalization group fixed point. The appearance of non-topological excitations in this setting has no significant effect on the error correction properties of the honeycomb model in the regimes we study. Although the behavior of this model is found to be qualitatively similar to that of the standard toric code in most regimes, we find numerical evidence of an interesting effect in the low-temperature, finite-size regime where a preferred lattice direction emerges and anyon diffusion is geometrically constrained. We expect this effect to yield an improvement in the scaling of the lifetime with system size as compared to the standard toric code.

Do Vascular Networks Branch Optimally or Randomly across Spatial Scales?

PubMed Central

Newberry, Mitchell G.; Savage, Van M.

2016-01-01

Modern models that derive allometric relationships between metabolic rate and body mass are based on the architectural design of the cardiovascular system and presume sibling vessels are symmetric in terms of radius, length, flow rate, and pressure. Here, we study the cardiovascular structure of the human head and torso and of a mouse lung based on three-dimensional images processed via our software Angicart. In contrast to modern allometric theories, we find systematic patterns of asymmetry in vascular branching, potentially explaining previously documented mismatches between predictions (power-law or concave curvature) and observed empirical data (convex curvature) for the allometric scaling of metabolic rate. To examine why these systematic asymmetries in vascular branching might arise, we construct a mathematical framework to derive predictions based on local, junction-level optimality principles that have been proposed to be favored in the course of natural selection and development. The two most commonly used principles are material-cost optimizations (construction materials or blood volume) and optimization of efficient flow via minimization of power loss. We show that material-cost optimization solutions match with distributions for asymmetric branching across the whole network but do not match well for individual junctions. Consequently, we also explore random branching that is constrained at scales that range from local (junction-level) to global (whole network). We find that material-cost optimizations are the strongest predictor of vascular branching in the human head and torso, whereas locally or intermediately constrained random branching is comparable to material-cost optimizations for the mouse lung. These differences could be attributable to developmentally-programmed local branching for larger vessels and constrained random branching for smaller vessels. PMID:27902691

Introducing Perception and Modelling of Spatial Randomness in Classroom

ERIC Educational Resources Information Center

De Nóbrega, José Renato

2017-01-01

A strategy to facilitate understanding of spatial randomness is described, using student activities developed in sequence: looking at spatial patterns, simulating approximate spatial randomness using a grid of equally-likely squares, using binomial probabilities for approximations and predictions and then comparing with given Poisson…

Degree-constrained multicast routing for multimedia communications

NASA Astrophysics Data System (ADS)

Wang, Yanlin; Sun, Yugeng; Li, Guidan

2005-02-01

Multicast services have been increasingly used by many multimedia applications. As one of the key techniques to support multimedia applications, the rational and effective multicast routing algorithms are very important to networks performance. When switch nodes in networks have different multicast capability, multicast routing problem is modeled as the degree-constrained Steiner problem. We presented two heuristic algorithms, named BMSTA and BSPTA, for the degree-constrained case in multimedia communications. Both algorithms are used to generate degree-constrained multicast trees with bandwidth and end to end delay bound. Simulations over random networks were carried out to compare the performance of the two proposed algorithms. Experimental results show that the proposed algorithms have advantages in traffic load balancing, which can avoid link blocking and enhance networks performance efficiently. BMSTA has better ability in finding unsaturated links and (or) unsaturated nodes to generate multicast trees than BSPTA. The performance of BMSTA is affected by the variation of degree constraints.

Mobile technology in clinical teaching.

PubMed

Mackay, B J; Anderson, J; Harding, T

2017-01-01

Technology is having a profound effect on education in the 21st century and nurse educators are being challenged to integrate technological innovation to assist students in their learning. This paper reports a study on the introduction of smart mobile technology to support student learning in the clinical environment. In a climate of collaborative inquiry, clinical lecturers and two researchers from the same department carried out a project in three phases: formation, implementation and analysis. Following the formation phase, six clinical lecturers adopted iPads to support their clinical teaching (implementation phase). At this time they also kept reflective journals. In the analysis phase a thematic analysis of the data from the journals and from a focus group found both enabling and constraining factors influenced the use of iPads by clinical lecturers. The themes categorised as enablers were: resources and technology; and, management and technology support. Those identified as barriers or constraining factors were: clinical staff engagement; and lecturer experience with technology. Student engagement and learning, and connectivity were both enabling and constraining factors. This paper concludes that the use of a mobile device such as an iPad can enhance teaching in clinical settings but that in order for such devices to be successfully integrated into clinical teaching consideration needs to be given to professional development needs, adequate resourcing and technology support. Copyright © 2016 Elsevier Ltd. All rights reserved.

Constrained subsystem density functional theory.

PubMed

Ramos, Pablo; Pavanello, Michele

2016-08-03

Constrained Subsystem Density Functional Theory (CSDFT) allows to compute diabatic states for charge transfer reactions using the machinery of the constrained DFT method, and at the same time is able to embed such diabatic states in a molecular environment via a subsystem DFT scheme. The CSDFT acronym is chosen to reflect the fact that on top of the subsystem DFT approach, a constraining potential is applied to each subsystem. We show that CSDFT can successfully tackle systems as complex as single stranded DNA complete of its backbone, and generate diabatic states as exotic as a hole localized on a phosphate group as well as on the nucleobases. CSDFT will be useful to investigators needing to evaluate the environmental effect on charge transfer couplings for systems in condensed phase environments.

Improving the frequency precision of oscillators by synchronization.

PubMed

Cross, M C

2012-04-01

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

Vibegron, a Novel Potent and Selective β3-Adrenoreceptor Agonist, for the Treatment of Patients with Overactive Bladder: A Randomized, Double-blind, Placebo-controlled Phase 3 Study.

PubMed

Yoshida, Masaki; Takeda, Masayuki; Gotoh, Momokazu; Nagai, Shinji; Kurose, Takafumi

2018-05-01

Vibegron is a novel, potent, and selective β 3 -adrenoreceptor agonist for the treatment of patients with overactive bladder (OAB). To evaluate the efficacy and safety of vibegron versus placebo in Japanese OAB patients. Patients with OAB entered a 2-wk placebo run-in phase. Once eligibility (≥8 micturition/d and either ≥1 urgency episodes/d or ≥1 urgency incontinence episodes/d) was confirmed, patients entered a 12-wk double-blind treatment phase. The anticholinergic imidafenacin was used as an active reference. A total of 1232 patients were randomly assigned to one of the four 12-wk treatment groups: vibegron (50mg or 100mg once daily), placebo, or imidafenacin (0.1mg twice daily). The primary endpoint was change in the mean number of micturitions/d at wk 12 from baseline. The secondary endpoints were changes from baselines in OAB symptom variables (daily episodes of urgency, urgency incontinence, incontinence, and nocturia, and voided volume/micturition). Quality of life (QoL) and safety were assessed. A constrained longitudinal data analysis model was used for analysis of efficacy. Patients taking vibegron 50mg and 100mg orally for 12 wk had significant improvements over the placebo in the primary and secondary endpoints. The proportions of patients with normalization of micturition, resolution of urgency, urgency incontinence, and incontinence were significantly greater than placebo. Vibegron significantly improved QoL, with high patient satisfaction. Incidences of drug-related adverse events with vibegron 50mg and 100mg were 7.6%, 5.4%, similar to placebo (5.1%), and less than imidafenacin (10.3%). Treatment was for just 12 wk and a long-term study is needed. The 12-wk treatment with vibegron is effective and well tolerated in patients with OAB. This randomized study demonstrated that vibegron is clinically useful for treatment of patients with OAB. Trial registration ​JapicCTI-152936. http://www.clinicaltrials.jp/user/cteDetail.jsp. Copyright © 2017 European Association of Urology. Published by Elsevier B.V. All rights reserved.

Analytical evaluation of the combined influence of polarization mode dispersion and group velocity dispersion on the bit error rate performance of optical homodyne quadrature phase-shift keying systems

NASA Astrophysics Data System (ADS)

Taher, Kazi Abu; Majumder, Satya Prasad

2017-12-01

A theoretical approach is presented to evaluate the bit error rate (BER) performance of an optical fiber transmission system with quadrature phase-shift keying (QPSK) modulation under the combined influence of polarization mode dispersion (PMD) and group velocity dispersion (GVD) in a single-mode fiber (SMF). The analysis is carried out without and with polarization division multiplexed (PDM) transmission considering a coherent homodyne receiver. The probability density function (pdf) of the random phase fluctuations due to PMD and GVD at the output of the receiver is determined analytically, considering the pdf of differential group delay (DGD) to be Maxwellian distribution and that of GVD to be Gaussian approximation. The exact pdf of the phase fluctuation due to PMD and GVD is also evaluated from its moments using a Monte Carlo simulation technique. Average BER is evaluated by averaging the conditional BER over the pdf of the random phase fluctuation. The BER performance results are evaluated for different system parameters. It is found that PDM-QPSK coherent homodyne system suffers more power penalty than the homodyne QPSK system without PDM. A PDM-QPSK system suffers a penalty of 4.3 dB whereas power penalty of QPSK system is 3.0 dB at a BER of 10-9 for DGD of 0.8 Tb and GVD of 1700 ps/nm. Analytical results are compared with the experimental results reported earlier and found to have good conformity.

Coupling Poisson rectangular pulse and multiplicative microcanonical random cascade models to generate sub-daily precipitation timeseries

NASA Astrophysics Data System (ADS)

Pohle, Ina; Niebisch, Michael; Müller, Hannes; Schümberg, Sabine; Zha, Tingting; Maurer, Thomas; Hinz, Christoph

2018-07-01

To simulate the impacts of within-storm rainfall variabilities on fast hydrological processes, long precipitation time series with high temporal resolution are required. Due to limited availability of observed data such time series are typically obtained from stochastic models. However, most existing rainfall models are limited in their ability to conserve rainfall event statistics which are relevant for hydrological processes. Poisson rectangular pulse models are widely applied to generate long time series of alternating precipitation events durations and mean intensities as well as interstorm period durations. Multiplicative microcanonical random cascade (MRC) models are used to disaggregate precipitation time series from coarse to fine temporal resolution. To overcome the inconsistencies between the temporal structure of the Poisson rectangular pulse model and the MRC model, we developed a new coupling approach by introducing two modifications to the MRC model. These modifications comprise (a) a modified cascade model ("constrained cascade") which preserves the event durations generated by the Poisson rectangular model by constraining the first and last interval of a precipitation event to contain precipitation and (b) continuous sigmoid functions of the multiplicative weights to consider the scale-dependency in the disaggregation of precipitation events of different durations. The constrained cascade model was evaluated in its ability to disaggregate observed precipitation events in comparison to existing MRC models. For that, we used a 20-year record of hourly precipitation at six stations across Germany. The constrained cascade model showed a pronounced better agreement with the observed data in terms of both the temporal pattern of the precipitation time series (e.g. the dry and wet spell durations and autocorrelations) and event characteristics (e.g. intra-event intermittency and intensity fluctuation within events). The constrained cascade model also slightly outperformed the other MRC models with respect to the intensity-frequency relationship. To assess the performance of the coupled Poisson rectangular pulse and constrained cascade model, precipitation events were stochastically generated by the Poisson rectangular pulse model and then disaggregated by the constrained cascade model. We found that the coupled model performs satisfactorily in terms of the temporal pattern of the precipitation time series, event characteristics and the intensity-frequency relationship.

Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximation

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

Zhang, Du; Yang, Weitao

An efficient method for calculating excitation energies based on the particle-particle random phase approximation (ppRPA) is presented. Neglecting the contributions from the high-lying virtual states and the low-lying core states leads to the significantly smaller active-space ppRPA matrix while keeping the error to within 0.05 eV from the corresponding full ppRPA excitation energies. The resulting computational cost is significantly reduced and becomes less than the construction of the non-local Fock exchange potential matrix in the self-consistent-field (SCF) procedure. With only a modest number of active orbitals, the original ppRPA singlet-triplet (ST) gaps as well as the low-lying single and doublemore » excitation energies can be accurately reproduced at much reduced computational costs, up to 100 times faster than the iterative Davidson diagonalization of the original full ppRPA matrix. For high-lying Rydberg excitations where the Davidson algorithm fails, the computational savings of active-space ppRPA with respect to the direct diagonalization is even more dramatic. The virtues of the underlying full ppRPA combined with the significantly lower computational cost of the active-space approach will significantly expand the applicability of the ppRPA method to calculate excitation energies at a cost of O(K^{4}), with a prefactor much smaller than a single SCF Hartree-Fock (HF)/hybrid functional calculation, thus opening up new possibilities for the quantum mechanical study of excited state electronic structure of large systems.« less

Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximation

DOE PAGES

Zhang, Du; Yang, Weitao

2016-10-13

An efficient method for calculating excitation energies based on the particle-particle random phase approximation (ppRPA) is presented. Neglecting the contributions from the high-lying virtual states and the low-lying core states leads to the significantly smaller active-space ppRPA matrix while keeping the error to within 0.05 eV from the corresponding full ppRPA excitation energies. The resulting computational cost is significantly reduced and becomes less than the construction of the non-local Fock exchange potential matrix in the self-consistent-field (SCF) procedure. With only a modest number of active orbitals, the original ppRPA singlet-triplet (ST) gaps as well as the low-lying single and doublemore » excitation energies can be accurately reproduced at much reduced computational costs, up to 100 times faster than the iterative Davidson diagonalization of the original full ppRPA matrix. For high-lying Rydberg excitations where the Davidson algorithm fails, the computational savings of active-space ppRPA with respect to the direct diagonalization is even more dramatic. The virtues of the underlying full ppRPA combined with the significantly lower computational cost of the active-space approach will significantly expand the applicability of the ppRPA method to calculate excitation energies at a cost of O(K^{4}), with a prefactor much smaller than a single SCF Hartree-Fock (HF)/hybrid functional calculation, thus opening up new possibilities for the quantum mechanical study of excited state electronic structure of large systems.« less

Characterization of maximally random jammed sphere packings. III. Transport and electromagnetic properties via correlation functions

NASA Astrophysics Data System (ADS)

Klatt, Michael A.; Torquato, Salvatore

2018-01-01

In the first two papers of this series, we characterized the structure of maximally random jammed (MRJ) sphere packings across length scales by computing a variety of different correlation functions, spectral functions, hole probabilities, and local density fluctuations. From the remarkable structural features of the MRJ packings, especially its disordered hyperuniformity, exceptional physical properties can be expected. Here we employ these structural descriptors to estimate effective transport and electromagnetic properties via rigorous bounds, exact expansions, and accurate analytical approximation formulas. These property formulas include interfacial bounds as well as universal scaling laws for the mean survival time and the fluid permeability. We also estimate the principal relaxation time associated with Brownian motion among perfectly absorbing traps. For the propagation of electromagnetic waves in the long-wavelength limit, we show that a dispersion of dielectric MRJ spheres within a matrix of another dielectric material forms, to a very good approximation, a dissipationless disordered and isotropic two-phase medium for any phase dielectric contrast ratio. We compare the effective properties of the MRJ sphere packings to those of overlapping spheres, equilibrium hard-sphere packings, and lattices of hard spheres. Moreover, we generalize results to micro- and macroscopically anisotropic packings of spheroids with tensorial effective properties. The analytic bounds predict the qualitative trend in the physical properties associated with these structures, which provides guidance to more time-consuming simulations and experiments. They especially provide impetus for experiments to design materials with unique bulk properties resulting from hyperuniformity, including structural-color and color-sensing applications.

Response surface method in geotechnical/structural analysis, phase 1

NASA Astrophysics Data System (ADS)

Wong, F. S.

1981-02-01

In the response surface approach, an approximating function is fit to a long running computer code based on a limited number of code calculations. The approximating function, called the response surface, is then used to replace the code in subsequent repetitive computations required in a statistical analysis. The procedure of the response surface development and feasibility of the method are shown using a sample problem in slop stability which is based on data from centrifuge experiments of model soil slopes and involves five random soil parameters. It is shown that a response surface can be constructed based on as few as four code calculations and that the response surface is computationally extremely efficient compared to the code calculation. Potential applications of this research include probabilistic analysis of dynamic, complex, nonlinear soil/structure systems such as slope stability, liquefaction, and nuclear reactor safety.

High Frequency QPOs due to Black Hole Spin

NASA Technical Reports Server (NTRS)

Kazanas, Demos; Fukumura, K.

2009-01-01

We present detailed computations of photon orbits emitted by flares at the innermost stable circular orbit (ISCO) of accretion disks around rotating black holes. We show that for sufficiently large spin parameter, i.e. a > 0.94 M, flare a sufficient number of photons arrive at an observer after multiple orbits around the black hole, to produce an "photon echo" of constant lag, i.e. independent of the relative phase between the black hole and the observer, of T approximates 14 M. This constant time delay, then, leads to a power spectrum with a QPO at a frequency nu approximates 1/14M, even for a totally random ensemble of such flares. Observation of such a QPO will provide incontrovertible evidence for the high spin of the black hole and a very accurate, independent, measurement of its mass.

Range-Separated Brueckner Coupled Cluster Doubles Theory

NASA Astrophysics Data System (ADS)

Shepherd, James J.; Henderson, Thomas M.; Scuseria, Gustavo E.

2014-04-01

We introduce a range-separation approximation to coupled cluster doubles (CCD) theory that successfully overcomes limitations of regular CCD when applied to the uniform electron gas. We combine the short-range ladder channel with the long-range ring channel in the presence of a Bruckner renormalized one-body interaction and obtain ground-state energies with an accuracy of 0.001 a.u./electron across a wide range of density regimes. Our scheme is particularly useful in the low-density and strongly correlated regimes, where regular CCD has serious drawbacks. Moreover, we cure the infamous overcorrelation of approaches based on ring diagrams (i.e., the particle-hole random phase approximation). Our energies are further shown to have appropriate basis set and thermodynamic limit convergence, and overall this scheme promises energetic properties for realistic periodic and extended systems which existing methods do not possess.

Stability of Dirac Liquids with Strong Coulomb Interaction.

PubMed

Tupitsyn, Igor S; Prokof'ev, Nikolay V

2017-01-13

We develop and apply the diagrammatic Monte Carlo technique to address the problem of the stability of the Dirac liquid state (in a graphene-type system) against the strong long-range part of the Coulomb interaction. So far, all attempts to deal with this problem in the field-theoretical framework were limited either to perturbative or random phase approximation and functional renormalization group treatments, with diametrically opposite conclusions. Our calculations aim at the approximation-free solution with controlled accuracy by computing vertex corrections from higher-order skeleton diagrams and establishing the renormalization group flow of the effective Coulomb coupling constant. We unambiguously show that with increasing the system size L (up to ln(L)∼40), the coupling constant always flows towards zero; i.e., the two-dimensional Dirac liquid is an asymptotically free T=0 state with divergent Fermi velocity.

Cooling without contact in bilayer dipolar Fermi gases

NASA Astrophysics Data System (ADS)

Tanatar, Bilal; Renklioglu, Basak; Oktel, M. Ozgur

2016-05-01

We consider two parallel layers of dipolar ultracold Fermi gases at different temperatures and calculate the heat transfer between them. The effective interactions describing screening and correlation effects between the dipoles in a single layer are modelled within the Euler-Lagrange Fermi-hypernetted chain approximation. The random-phase approximation is employed for the interactions across the layers. We investigate the amount of transferred power between the layers as a function of the temperature difference. Energy transfer proceeds via the long-range dipole-dipole interactions. A simple thermal model is developed to investigate the feasibility of using the contactless sympathetic cooling of the ultracold polar atoms/molecules. Our calculations indicate that dipolar heat transfer is effective for typical polar molecule experiments and may be utilized as a cooling process. Supported by TUBA and TUBITAK (112T974).

Targeting Prodromal Alzheimer Disease With Avagacestat: A Randomized Clinical Trial.

PubMed

Coric, Vladimir; Salloway, Stephen; van Dyck, Christopher H; Dubois, Bruno; Andreasen, Niels; Brody, Mark; Curtis, Craig; Soininen, Hilkka; Thein, Stephen; Shiovitz, Thomas; Pilcher, Gary; Ferris, Steven; Colby, Susan; Kerselaers, Wendy; Dockens, Randy; Soares, Holly; Kaplita, Stephen; Luo, Feng; Pachai, Chahin; Bracoud, Luc; Mintun, Mark; Grill, Joshua D; Marek, Ken; Seibyl, John; Cedarbaum, Jesse M; Albright, Charles; Feldman, Howard H; Berman, Robert M

2015-11-01

Early identification of Alzheimer disease (AD) is important for clinical management and affords the opportunity to assess potential disease-modifying agents in clinical trials. To our knowledge, this is the first report of a randomized trial to prospectively enrich a study population with prodromal AD (PDAD) defined by cerebrospinal fluid (CSF) biomarker criteria and mild cognitive impairment (MCI) symptoms. To assess the safety of the γ-secretase inhibitor avagacestat in PDAD and to determine whether CSF biomarkers can identify this patient population prior to clinical diagnosis of dementia. A randomized, placebo-controlled phase 2 clinical trial with a parallel, untreated, nonrandomized observational cohort of CSF biomarker-negative participants was conducted May 26, 2009, to July 9, 2013, in a multicenter global population. Of 1358 outpatients screened, 263 met MCI and CSF biomarker criteria for randomization into the treatment phase. One hundred two observational cohort participants who met MCI criteria but were CSF biomarker-negative were observed during the same study period to evaluate biomarker assay sensitivity. Oral avagacestat or placebo daily. Safety and tolerability of avagacestat. Of the 263 participants in the treatment phase, 132 were randomized to avagacestat and 131 to placebo; an additional 102 participants were observed in an untreated observational cohort. Avagacestat was relatively well tolerated with low discontinuation rates (19.6%) at a dose of 50 mg/d, whereas the dose of 125 mg/d had higher discontinuation rates (43%), primarily attributable to gastrointestinal tract adverse events. Increases in nonmelanoma skin cancer and nonprogressive, reversible renal tubule effects were observed with avagacestat. Serious adverse event rates were higher with avagacestat (49 participants [37.1%]) vs placebo (31 [23.7%]), attributable to the higher incidence of nonmelanoma skin cancer. At 2 years, progression to dementia was more frequent in the PDAD cohort (30.7%) vs the observational cohort (6.5%). Brain atrophy rate in PDAD participants was approximately double that of the observational cohort. Concordance between abnormal amyloid burden on positron emission tomography and pathologic CSF was approximately 87% (κ = 0.68; 95% CI, 0.48-0.87). No significant treatment differences were observed in the avagacestat vs placebo arm in key clinical outcome measures. Avagacestat did not demonstrate efficacy and was associated with adverse dose-limiting effects. This PDAD population receiving avagacestat or placebo had higher rates of clinical progression to dementia and greater brain atrophy compared with CSF biomarker-negative participants. The CSF biomarkers and amyloid positron emission tomography imaging were correlated, suggesting that either modality could be used to confirm the presence of cerebral amyloidopathy and identify PDAD. clinicaltrials.gov Identifier: NCT00890890.

Metal-insulator transition and magnetic fluctuations in polycrystalline Ru1 -xRhxP investigated by 31P NMR

NASA Astrophysics Data System (ADS)

Li, Shang; Kobayashi, Yoshiaki; Itoh, Masayuki; Hirai, Daigorou; Takagi, Hidenori

2017-04-01

31P NMR measurements have been made on polycrystalline samples to study a metal-insulator (MI) transition and magnetic fluctuations in Ru1 -xRhxP which has metallic (M), pseudogap (PG), insulating (I), and superconducting (SC) phases. We find that RuP undergoes a crossover from the high-temperature (high-T ) M phase to the PG phase with the pseudo spin-gap behavior probed by the nuclear spin-lattice relaxation rate at TPG=330 K . The first-order MI transition is observed to take place from the PG phase to the low-T nonmagnetic I phase with the spin-gap energy of 1250 K at TMI=270 K . In the PG phase of Ru1 -xRhxP with 0 ≤x <0.45 , an analysis based on the modified Korringa relation, which is applicable to an itinerant paramagnet with weak electron correlation, shows that antiferromagnetic (AFM) fluctuations described in the random-phase approximation are enhanced in the low-T and low-x region. Around the PG-M phase boundary at xc˜0.45 , there is the SC phase whose normal state has negligible electron-electron interaction. We discuss the MI transition, the crossover from the M phase to the PG phase, and the magnetic properties of each phase based on the band structure.

Dynamical Scaling and Phase Coexistence in Topologically Constrained DNA Melting.

PubMed

Fosado, Y A G; Michieletto, D; Marenduzzo, D

2017-09-15

There is a long-standing experimental observation that the melting of topologically constrained DNA, such as circular closed plasmids, is less abrupt than that of linear molecules. This finding points to an important role of topology in the physics of DNA denaturation, which is, however, poorly understood. Here, we shed light on this issue by combining large-scale Brownian dynamics simulations with an analytically solvable phenomenological Landau mean field theory. We find that the competition between melting and supercoiling leads to phase coexistence of denatured and intact phases at the single-molecule level. This coexistence occurs in a wide temperature range, thereby accounting for the broadening of the transition. Finally, our simulations show an intriguing topology-dependent scaling law governing the growth of denaturation bubbles in supercoiled plasmids, which can be understood within the proposed mean field theory.

Probability-based constrained MPC for structured uncertain systems with state and random input delays

NASA Astrophysics Data System (ADS)

Lu, Jianbo; Li, Dewei; Xi, Yugeng

2013-07-01

This article is concerned with probability-based constrained model predictive control (MPC) for systems with both structured uncertainties and time delays, where a random input delay and multiple fixed state delays are included. The process of input delay is governed by a discrete-time finite-state Markov chain. By invoking an appropriate augmented state, the system is transformed into a standard structured uncertain time-delay Markov jump linear system (MJLS). For the resulting system, a multi-step feedback control law is utilised to minimise an upper bound on the expected value of performance objective. The proposed design has been proved to stabilise the closed-loop system in the mean square sense and to guarantee constraints on control inputs and system states. Finally, a numerical example is given to illustrate the proposed results.

Using a short-pulse diffraction-limited laser beam to probe filamentation of a random phase plate smoothed beam.

PubMed

Kline, J L; Montgomery, D S; Flippo, K A; Johnson, R P; Rose, H A; Shimada, T; Williams, E A

2008-10-01

A short pulse (few picoseconds) laser probe provides high temporal resolution measurements to elucidate details of fast dynamic phenomena not observable with typical longer laser pulse probes and gated diagnostics. Such a short pulse laser probe (SPLP) has been used to measure filamentation of a random phase plate (RPP) smoothed laser beam in a gas-jet plasma. The plasma index of refraction due to driven density and temperature fluctuations by the RPP beam perturbs the phase front of a SPLP propagating at a 90 degree angle with respect to the RPP interaction beam. The density and temperature fluctuations are quasistatic on the time scale of the SPLP (approximately 2 ps). The transmitted near-field intensity distribution from the SPLP provides a measure of the phase front perturbation. At low plasma densities, the transmitted intensity pattern is asymmetric with striations across the entire probe beam in the direction of the RPP smoothed beam. As the plasma density increases, the striations break up into smaller sizes along the direction of the RPP beam propagation. The breakup of the intensity pattern is consistent with self-focusing of the RPP smoothed interaction beam. Simulations of the experiment using the wave propagation code, PF3D, are in qualitative agreement demonstrating that the asymmetric striations can be attributed to the RPP driven density fluctuations. Quantification of the beam breakup measured by the transmitted SPLP could lead to a new method for measuring self-focusing of lasers in underdense plasmas.

Predicting structures in the Zone of Avoidance

NASA Astrophysics Data System (ADS)

Sorce, Jenny G.; Colless, Matthew; Kraan-Korteweg, Renée C.; Gottlöber, Stefan

2017-11-01

The Zone of Avoidance (ZOA), whose emptiness is an artefact of our Galaxy dust, has been challenging observers as well as theorists for many years. Multiple attempts have been made on the observational side to map this region in order to better understand the local flows. On the theoretical side, however, this region is often simply statistically populated with structures but no real attempt has been made to confront theoretical and observed matter distributions. This paper takes a step forward using constrained realizations (CRs) of the local Universe shown to be perfect substitutes of local Universe-like simulations for smoothed high-density peak studies. Far from generating completely `random' structures in the ZOA, the reconstruction technique arranges matter according to the surrounding environment of this region. More precisely, the mean distributions of structures in a series of constrained and random realizations (RRs) differ: while densities annihilate each other when averaging over 200 RRs, structures persist when summing 200 CRs. The probability distribution function of ZOA grid cells to be highly overdense is a Gaussian with a 15 per cent mean in the random case, while that of the constrained case exhibits large tails. This implies that areas with the largest probabilities host most likely a structure. Comparisons between these predictions and observations, like those of the Puppis 3 cluster, show a remarkable agreement and allow us to assert the presence of the, recently highlighted by observations, Vela supercluster at about 180 h-1 Mpc, right behind the thickest dust layers of our Galaxy.

Reconciling CloudSat and GPM Estimates of Falling Snow

NASA Technical Reports Server (NTRS)

Munchak, S. Joseph; Jackson, Gail Skofronick; Kulie, Mark; Wood, Norm; Miliani, Lisa

2017-01-01

Satellite-based estimates of falling snow have been provided by CloudSat (launched in 2006) and the Global Precipitation Measurement (GPM) core satellite (launched in 2014). The CloudSat estimates are derived from W-band radar measurements whereas the GPM estimates are derived from its scanning Ku- and Ka-band Dual-Frequency Precipitation Radar (DPR) and 13-channel microwave imager (GMI). Each platform has advantages and disadvantages: CloudSat has higher resolution (approximately 1.5 km) and much better sensitivity (-28 dBZ), but poorer sampling (nadir-only and daytime-only since 2011) and the reflectivity-snowfall (Z-S) relationship is poorly constrained with single-frequency measurements. Meanwhile, DPR suffers from relatively poor resolution (5 km) and sensitivity (approximately 13 dBZ), but has cross-track scanning capability to cover a 245-km swath. Additionally, where Ku and Ka measurements are available, the conversion of reflectivity to snowfall rate is better-constrained than with a single frequency.

Optical characterization of randomly microrough surfaces covered with very thin overlayers using effective medium approximation and Rayleigh-Rice theory

NASA Astrophysics Data System (ADS)

Ohlídal, Ivan; Vohánka, Jiří; Čermák, Martin; Franta, Daniel

2017-10-01

The modification of the effective medium approximation for randomly microrough surfaces covered by very thin overlayers based on inhomogeneous fictitious layers is formulated. The numerical analysis of this modification is performed using simulated ellipsometric data calculated using the Rayleigh-Rice theory. The system used to perform this numerical analysis consists of a randomly microrough silicon single crystal surface covered with a SiO2 overlayer. A comparison to the effective medium approximation based on homogeneous fictitious layers is carried out within this numerical analysis. For ellipsometry of the system mentioned above the possibilities and limitations of both the effective medium approximation approaches are discussed. The results obtained by means of the numerical analysis are confirmed by the ellipsometric characterization of two randomly microrough silicon single crystal substrates covered with native oxide overlayers. It is shown that the effective medium approximation approaches for this system exhibit strong deficiencies compared to the Rayleigh-Rice theory. The practical consequences implied by these results are presented. The results concerning the random microroughness are verified by means of measurements performed using atomic force microscopy.

Efficient and Accurate Optimal Linear Phase FIR Filter Design Using Opposition-Based Harmony Search Algorithm

PubMed Central

Saha, S. K.; Dutta, R.; Choudhury, R.; Kar, R.; Mandal, D.; Ghoshal, S. P.

2013-01-01

In this paper, opposition-based harmony search has been applied for the optimal design of linear phase FIR filters. RGA, PSO, and DE have also been adopted for the sake of comparison. The original harmony search algorithm is chosen as the parent one, and opposition-based approach is applied. During the initialization, randomly generated population of solutions is chosen, opposite solutions are also considered, and the fitter one is selected as a priori guess. In harmony memory, each such solution passes through memory consideration rule, pitch adjustment rule, and then opposition-based reinitialization generation jumping, which gives the optimum result corresponding to the least error fitness in multidimensional search space of FIR filter design. Incorporation of different control parameters in the basic HS algorithm results in the balancing of exploration and exploitation of search space. Low pass, high pass, band pass, and band stop FIR filters are designed with the proposed OHS and other aforementioned algorithms individually for comparative optimization performance. A comparison of simulation results reveals the optimization efficacy of the OHS over the other optimization techniques for the solution of the multimodal, nondifferentiable, nonlinear, and constrained FIR filter design problems. PMID:23844390

Efficient and accurate optimal linear phase FIR filter design using opposition-based harmony search algorithm.

PubMed

Saha, S K; Dutta, R; Choudhury, R; Kar, R; Mandal, D; Ghoshal, S P

2013-01-01

In this paper, opposition-based harmony search has been applied for the optimal design of linear phase FIR filters. RGA, PSO, and DE have also been adopted for the sake of comparison. The original harmony search algorithm is chosen as the parent one, and opposition-based approach is applied. During the initialization, randomly generated population of solutions is chosen, opposite solutions are also considered, and the fitter one is selected as a priori guess. In harmony memory, each such solution passes through memory consideration rule, pitch adjustment rule, and then opposition-based reinitialization generation jumping, which gives the optimum result corresponding to the least error fitness in multidimensional search space of FIR filter design. Incorporation of different control parameters in the basic HS algorithm results in the balancing of exploration and exploitation of search space. Low pass, high pass, band pass, and band stop FIR filters are designed with the proposed OHS and other aforementioned algorithms individually for comparative optimization performance. A comparison of simulation results reveals the optimization efficacy of the OHS over the other optimization techniques for the solution of the multimodal, nondifferentiable, nonlinear, and constrained FIR filter design problems.

Diffusion and Localization of Relative Strategy Scores in The Minority Game

NASA Astrophysics Data System (ADS)

Granath, Mats; Perez-Diaz, Alvaro

2016-10-01

We study the equilibrium distribution of relative strategy scores of agents in the asymmetric phase (α ≡ P/N≳ 1) of the basic Minority Game using sign-payoff, with N agents holding two strategies over P histories. We formulate a statistical model that makes use of the gauge freedom with respect to the ordering of an agent's strategies to quantify the correlation between the attendance and the distribution of strategies. The relative score xin Z of the two strategies of an agent is described in terms of a one dimensional random walk with asymmetric jump probabilities, leading either to a static and asymmetric exponential distribution centered at x=0 for fickle agents or to diffusion with a positive or negative drift for frozen agents. In terms of scaled coordinates x/√{N} and t / N the distributions are uniquely given by α and in quantitative agreement with direct simulations of the game. As the model avoids the reformulation in terms of a constrained minimization problem it can be used for arbitrary payoff functions with little calculational effort and provides a transparent and simple formulation of the dynamics of the basic Minority Game in the asymmetric phase.

Disordered Route to the Coulomb Quantum Spin Liquid: Random Transverse Fields on Spin Ice in Pr 2 Zr 2 O 7

DOE PAGES

Wen, J. -J.; Koohpayeh, S. M.; Ross, K. A.; ...

2017-03-08

Inelastic neutron scattering reveals a broad continuum of excitations in Pr 2 Zr 2 O 7 , the temperature and magnetic field dependence of which indicate a continuous distribution of quenched transverse fields ( Δ ) acting on the non-Kramers Pr 3 + crystal field ground state doublets. Spin-ice correlations are apparent within 0.2 meV of the Zeeman energy. In a random phase approximation an excellent account of the data is provided and contains a transverse field distribution ρ ( Δ ) ∝ ( Δ 2 + Γ 2 ) - 1 , where Γ = 0.27 ( 1 )more » meV . Established during high temperature synthesis due to an underlying structural instability, it appears disorder in Pr 2 Zr 2 O 7 actually induces a quantum spin liquid.« less

An adaptive finite element method for the inequality-constrained Reynolds equation

NASA Astrophysics Data System (ADS)

Gustafsson, Tom; Rajagopal, Kumbakonam R.; Stenberg, Rolf; Videman, Juha

2018-07-01

We present a stabilized finite element method for the numerical solution of cavitation in lubrication, modeled as an inequality-constrained Reynolds equation. The cavitation model is written as a variable coefficient saddle-point problem and approximated by a residual-based stabilized method. Based on our recent results on the classical obstacle problem, we present optimal a priori estimates and derive novel a posteriori error estimators. The method is implemented as a Nitsche-type finite element technique and shown in numerical computations to be superior to the usually applied penalty methods.

Constrained optimization of sequentially generated entangled multiqubit states

NASA Astrophysics Data System (ADS)

Saberi, Hamed; Weichselbaum, Andreas; Lamata, Lucas; Pérez-García, David; von Delft, Jan; Solano, Enrique

2009-08-01

We demonstrate how the matrix-product state formalism provides a flexible structure to solve the constrained optimization problem associated with the sequential generation of entangled multiqubit states under experimental restrictions. We consider a realistic scenario in which an ancillary system with a limited number of levels performs restricted sequential interactions with qubits in a row. The proposed method relies on a suitable local optimization procedure, yielding an efficient recipe for the realistic and approximate sequential generation of any entangled multiqubit state. We give paradigmatic examples that may be of interest for theoretical and experimental developments.

Rapid dark-blood carotid vessel-wall imaging with random bipolar gradients in a radial SSFP acquisition.

PubMed

Lin, Hung-Yu; Flask, Chris A; Dale, Brian M; Duerk, Jeffrey L

2007-06-01

To investigate and evaluate a new rapid dark-blood vessel-wall imaging method using random bipolar gradients with a radial steady-state free precession (SSFP) acquisition in carotid applications. The carotid artery bifurcations of four asymptomatic volunteers (28-37 years old, mean age = 31 years) were included in this study. Dark-blood contrast was achieved through the use of random bipolar gradients applied prior to the signal acquisition of each radial projection in a balanced SSFP acquisition. The resulting phase variation for moving spins established significant destructive interference in the low-frequency region of k-space. This phase variation resulted in a net nulling of the signal from flowing spins, while the bipolar gradients had a minimal effect on the static spins. The net effect was that the regular SSFP signal amplitude (SA) in stationary tissues was preserved while dark-blood contrast was achieved for moving spins. In this implementation, application of the random bipolar gradient pulses along all three spatial directions nulled the signal from both in-plane and through-plane flow in phantom and in vivo studies. In vivo imaging trials confirmed that dark-blood contrast can be achieved with the radial random bipolar SSFP method, thereby substantially reversing the vessel-to-lumen contrast-to-noise ratio (CNR) of a conventional rectilinear SSFP "bright-blood" acquisition from bright blood to dark blood with only a modest increase in TR (approximately 4 msec) to accommodate the additional bipolar gradients. Overall, this sequence offers a simple and effective dark-blood contrast mechanism for high-SNR SSFP acquisitions in vessel wall imaging within a short acquisition time.

On the room-temperature phase diagram of high pressure hydrogen: an ab initio molecular dynamics perspective and a diffusion Monte Carlo study.

PubMed

Chen, Ji; Ren, Xinguo; Li, Xin-Zheng; Alfè, Dario; Wang, Enge

2014-07-14

The finite-temperature phase diagram of hydrogen in the region of phase IV and its neighborhood was studied using the ab initio molecular dynamics (MD) and the ab initio path-integral molecular dynamics (PIMD). The electronic structures were analyzed using the density-functional theory (DFT), the random-phase approximation, and the diffusion Monte Carlo (DMC) methods. Taking the state-of-the-art DMC results as benchmark, comparisons of the energy differences between structures generated from the MD and PIMD simulations, with molecular and dissociated hydrogens, respectively, in the weak molecular layers of phase IV, indicate that standard functionals in DFT tend to underestimate the dissociation barrier of the weak molecular layers in this mixed phase. Because of this underestimation, inclusion of the quantum nuclear effects (QNEs) in PIMD using electronic structures generated with these functionals leads to artificially dissociated hydrogen layers in phase IV and an error compensation between the neglect of QNEs and the deficiencies of these functionals in standard ab initio MD simulations exists. This analysis partly rationalizes why earlier ab initio MD simulations complement so well the experimental observations. The temperature and pressure dependencies for the stability of phase IV were also studied in the end and compared with earlier results.

Weighted SGD for ℓ p Regression with Randomized Preconditioning.

PubMed

Yang, Jiyan; Chow, Yin-Lam; Ré, Christopher; Mahoney, Michael W

2016-01-01

In recent years, stochastic gradient descent (SGD) methods and randomized linear algebra (RLA) algorithms have been applied to many large-scale problems in machine learning and data analysis. SGD methods are easy to implement and applicable to a wide range of convex optimization problems. In contrast, RLA algorithms provide much stronger performance guarantees but are applicable to a narrower class of problems. We aim to bridge the gap between these two methods in solving constrained overdetermined linear regression problems-e.g., ℓ 2 and ℓ 1 regression problems. We propose a hybrid algorithm named pwSGD that uses RLA techniques for preconditioning and constructing an importance sampling distribution, and then performs an SGD-like iterative process with weighted sampling on the preconditioned system.By rewriting a deterministic ℓ p regression problem as a stochastic optimization problem, we connect pwSGD to several existing ℓ p solvers including RLA methods with algorithmic leveraging (RLA for short).We prove that pwSGD inherits faster convergence rates that only depend on the lower dimension of the linear system, while maintaining low computation complexity. Such SGD convergence rates are superior to other related SGD algorithm such as the weighted randomized Kaczmarz algorithm.Particularly, when solving ℓ 1 regression with size n by d , pwSGD returns an approximate solution with ε relative error in the objective value in (log n ·nnz( A )+poly( d )/ ε 2 ) time. This complexity is uniformly better than that of RLA methods in terms of both ε and d when the problem is unconstrained. In the presence of constraints, pwSGD only has to solve a sequence of much simpler and smaller optimization problem over the same constraints. In general this is more efficient than solving the constrained subproblem required in RLA.For ℓ 2 regression, pwSGD returns an approximate solution with ε relative error in the objective value and the solution vector measured in prediction norm in (log n ·nnz( A )+poly( d ) log(1/ ε )/ ε ) time. We show that for unconstrained ℓ 2 regression, this complexity is comparable to that of RLA and is asymptotically better over several state-of-the-art solvers in the regime where the desired accuracy ε , high dimension n and low dimension d satisfy d ≥ 1/ ε and n ≥ d 2 / ε . We also provide lower bounds on the coreset complexity for more general regression problems, indicating that still new ideas will be needed to extend similar RLA preconditioning ideas to weighted SGD algorithms for more general regression problems. Finally, the effectiveness of such algorithms is illustrated numerically on both synthetic and real datasets, and the results are consistent with our theoretical findings and demonstrate that pwSGD converges to a medium-precision solution, e.g., ε = 10 -3 , more quickly.

Weighted SGD for ℓp Regression with Randomized Preconditioning*

PubMed Central

Yang, Jiyan; Chow, Yin-Lam; Ré, Christopher; Mahoney, Michael W.

2018-01-01

In recent years, stochastic gradient descent (SGD) methods and randomized linear algebra (RLA) algorithms have been applied to many large-scale problems in machine learning and data analysis. SGD methods are easy to implement and applicable to a wide range of convex optimization problems. In contrast, RLA algorithms provide much stronger performance guarantees but are applicable to a narrower class of problems. We aim to bridge the gap between these two methods in solving constrained overdetermined linear regression problems—e.g., ℓ2 and ℓ1 regression problems. We propose a hybrid algorithm named pwSGD that uses RLA techniques for preconditioning and constructing an importance sampling distribution, and then performs an SGD-like iterative process with weighted sampling on the preconditioned system.By rewriting a deterministic ℓp regression problem as a stochastic optimization problem, we connect pwSGD to several existing ℓp solvers including RLA methods with algorithmic leveraging (RLA for short).We prove that pwSGD inherits faster convergence rates that only depend on the lower dimension of the linear system, while maintaining low computation complexity. Such SGD convergence rates are superior to other related SGD algorithm such as the weighted randomized Kaczmarz algorithm.Particularly, when solving ℓ1 regression with size n by d, pwSGD returns an approximate solution with ε relative error in the objective value in 𝒪(log n·nnz(A)+poly(d)/ε2) time. This complexity is uniformly better than that of RLA methods in terms of both ε and d when the problem is unconstrained. In the presence of constraints, pwSGD only has to solve a sequence of much simpler and smaller optimization problem over the same constraints. In general this is more efficient than solving the constrained subproblem required in RLA.For ℓ2 regression, pwSGD returns an approximate solution with ε relative error in the objective value and the solution vector measured in prediction norm in 𝒪(log n·nnz(A)+poly(d) log(1/ε)/ε) time. We show that for unconstrained ℓ2 regression, this complexity is comparable to that of RLA and is asymptotically better over several state-of-the-art solvers in the regime where the desired accuracy ε, high dimension n and low dimension d satisfy d ≥ 1/ε and n ≥ d2/ε. We also provide lower bounds on the coreset complexity for more general regression problems, indicating that still new ideas will be needed to extend similar RLA preconditioning ideas to weighted SGD algorithms for more general regression problems. Finally, the effectiveness of such algorithms is illustrated numerically on both synthetic and real datasets, and the results are consistent with our theoretical findings and demonstrate that pwSGD converges to a medium-precision solution, e.g., ε = 10−3, more quickly. PMID:29782626

Development and Application of a Paleomagnetic/Geochemical Method for Constraining the Timing of Burial Diagenetic and Fluid

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

Elmore, Richard D.; Engel, Michael H.

2005-03-10

Studies of diagenesis caused by fluid migration or other events are commonly hindered by a lack of temporal control. Our results to date demonstrate that a paleomagnetic/geochemical approach can be used to date fluid migration as well as burial diagenetic events. Our principal working hypothesis is that burial diagenetic processes (e.g., maturation of organic-rich sediments and clay diagenesis) and the migration of fluids can trigger the authigenesis of magnetic mineral phases. The ages of these events can be constrained by comparing chemical remanent magnetizations (CRMs) to independently established Apparent Polar Wander Paths. While geochemical (e.g. stable isotope and organic analyses)more » and petrographic studies provide important clues for establishing these relationships, the ultimate test of this hypothesis requires the application of independent dating methods to verify the paleomagnetic ages. Towards this end, we have used K-Ar dating of illitization as an alternative method for constraining the ages of magnetic mineral phases in our field areas.« less

Influence of stochastic geometric imperfections on the load-carrying behaviour of thin-walled structures using constrained random fields

NASA Astrophysics Data System (ADS)

Lauterbach, S.; Fina, M.; Wagner, W.

2018-04-01

Since structural engineering requires highly developed and optimized structures, the thickness dependency is one of the most controversially debated topics. This paper deals with stability analysis of lightweight thin structures combined with arbitrary geometrical imperfections. Generally known design guidelines only consider imperfections for simple shapes and loading, whereas for complex structures the lower-bound design philosophy still holds. Herein, uncertainties are considered with an empirical knockdown factor representing a lower bound of existing measurements. To fully understand and predict expected bearable loads, numerical investigations are essential, including geometrical imperfections. These are implemented into a stand-alone program code with a stochastic approach to compute random fields as geometric imperfections that are applied to nodes of the finite element mesh of selected structural examples. The stochastic approach uses the Karhunen-Loève expansion for the random field discretization. For this approach, the so-called correlation length l_c controls the random field in a powerful way. This parameter has a major influence on the buckling shape, and also on the stability load. First, the impact of the correlation length is studied for simple structures. Second, since most structures for engineering devices are more complex and combined structures, these are intensively discussed with the focus on constrained random fields for e.g. flange-web-intersections. Specific constraints for those random fields are pointed out with regard to the finite element model. Further, geometrical imperfections vanish where the structure is supported.

Constraining the mass of the Local Group

NASA Astrophysics Data System (ADS)

Carlesi, Edoardo; Hoffman, Yehuda; Sorce, Jenny G.; Gottlöber, Stefan

2017-03-01

The mass of the Local Group (LG) is a crucial parameter for galaxy formation theories. However, its observational determination is challenging - its mass budget is dominated by dark matter that cannot be directly observed. To meet this end, the posterior distributions of the LG and its massive constituents have been constructed by means of constrained and random cosmological simulations. Two priors are assumed - the Λ cold dark matter model that is used to set up the simulations, and an LG model that encodes the observational knowledge of the LG and is used to select LG-like objects from the simulations. The constrained simulations are designed to reproduce the local cosmography as it is imprinted on to the Cosmicflows-2 data base of velocities. Several prescriptions are used to define the LG model, focusing in particular on different recent estimates of the tangential velocity of M31. It is found that (a) different vtan choices affect the peak mass values up to a factor of 2, and change mass ratios of MM31 to MMW by up to 20 per cent; (b) constrained simulations yield more sharply peaked posterior distributions compared with the random ones; (c) LG mass estimates are found to be smaller than those found using the timing argument; (d) preferred Milky Way masses lie in the range of (0.6-0.8) × 1012 M⊙; whereas (e) MM31 is found to vary between (1.0-2.0) × 1012 M⊙, with a strong dependence on the vtan values used.

Using Geographic Information Systems and Spatial Analysis Methods to Assess Household Water Access and Sanitation Coverage in the SHINE Trial.

PubMed

Ntozini, Robert; Marks, Sara J; Mangwadu, Goldberg; Mbuya, Mduduzi N N; Gerema, Grace; Mutasa, Batsirai; Julian, Timothy R; Schwab, Kellogg J; Humphrey, Jean H; Zungu, Lindiwe I

2015-12-15

Access to water and sanitation are important determinants of behavioral responses to hygiene and sanitation interventions. We estimated cluster-specific water access and sanitation coverage to inform a constrained randomization technique in the SHINE trial. Technicians and engineers inspected all public access water sources to ascertain seasonality, function, and geospatial coordinates. Households and water sources were mapped using open-source geospatial software. The distance from each household to the nearest perennial, functional, protected water source was calculated, and for each cluster, the median distance and the proportion of households within <500 m and >1500 m of such a water source. Cluster-specific sanitation coverage was ascertained using a random sample of 13 households per cluster. These parameters were included as covariates in randomization to optimize balance in water and sanitation access across treatment arms at the start of the trial. The observed high variability between clusters in both parameters suggests that constraining on these factors was needed to reduce risk of bias. © The Author 2015. Published by Oxford University Press for the Infectious Diseases Society of America.

Finite plateau in spectral gap of polychromatic constrained random networks

NASA Astrophysics Data System (ADS)

Avetisov, V.; Gorsky, A.; Nechaev, S.; Valba, O.

2017-12-01

We consider critical behavior in the ensemble of polychromatic Erdős-Rényi networks and regular random graphs, where network vertices are painted in different colors. The links can be randomly removed and added to the network subject to the condition of the vertex degree conservation. In these constrained graphs we run the Metropolis procedure, which favors the connected unicolor triads of nodes. Changing the chemical potential, μ , of such triads, for some wide region of μ , we find the formation of a finite plateau in the number of intercolor links, which exactly matches the finite plateau in the network algebraic connectivity (the value of the first nonvanishing eigenvalue of the Laplacian matrix, λ2). We claim that at the plateau the spontaneously broken Z2 symmetry is restored by the mechanism of modes collectivization in clusters of different colors. The phenomena of a finite plateau formation holds also for polychromatic networks with M ≥2 colors. The behavior of polychromatic networks is analyzed via the spectral properties of their adjacency and Laplacian matrices.

Generic pure quantum states as steady states of quasi-local dissipative dynamics

NASA Astrophysics Data System (ADS)

Karuvade, Salini; Johnson, Peter D.; Ticozzi, Francesco; Viola, Lorenza

2018-04-01

We investigate whether a generic pure state on a multipartite quantum system can be the unique asymptotic steady state of locality-constrained purely dissipative Markovian dynamics. In the tripartite setting, we show that the problem is equivalent to characterizing the solution space of a set of linear equations and establish that the set of pure states obeying the above property has either measure zero or measure one, solely depending on the subsystems’ dimension. A complete analytical characterization is given when the central subsystem is a qubit. In the N-partite case, we provide conditions on the subsystems’ size and the nature of the locality constraint, under which random pure states cannot be quasi-locally stabilized generically. Also, allowing for the possibility to approximately stabilize entangled pure states that cannot be exact steady states in settings where stabilizability is generic, our results offer insights into the extent to which random pure states may arise as unique ground states of frustration-free parent Hamiltonians. We further argue that, to a high probability, pure quantum states sampled from a t-design enjoy the same stabilizability properties of Haar-random ones as long as suitable dimension constraints are obeyed and t is sufficiently large. Lastly, we demonstrate a connection between the tasks of quasi-local state stabilization and unique state reconstruction from local tomographic information, and provide a constructive procedure for determining a generic N-partite pure state based only on knowledge of the support of any two of the reduced density matrices of about half the parties, improving over existing results.

Observational Role of Dark Matter in f(R) Models for Structure Formation

NASA Astrophysics Data System (ADS)

Verma, Murli Manohar; Yadav, Bal Krishna

The fixed points for the dynamical system in the phase space have been calculated with dark matter in the f(R) gravity models. The stability conditions of these fixed points are obtained in the ongoing accelerated phase of the universe, and the values of the Hubble parameter and Ricci scalar are obtained for various evolutionary stages of the universe. We present a range of some modifications of general relativistic action consistent with the ΛCDM model. We elaborate upon the fact that the upcoming cosmological observations would further constrain the bounds on the possible forms of f(R) with greater precision that could in turn constrain the search for dark matter in colliders.

Diameter-Constrained Steiner Tree

NASA Astrophysics Data System (ADS)

Ding, Wei; Lin, Guohui; Xue, Guoliang

Given an edge-weighted undirected graph G = (V,E,c,w), where each edge e ∈ E has a cost c(e) and a weight w(e), a set S ⊆ V of terminals and a positive constant D 0, we seek a minimum cost Steiner tree where all terminals appear as leaves and its diameter is bounded by D 0. Note that the diameter of a tree represents the maximum weight of path connecting two different leaves in the tree. Such problem is called the minimum cost diameter-constrained Steiner tree problem. This problem is NP-hard even when the topology of Steiner tree is fixed. In present paper we focus on this restricted version and present a fully polynomial time approximation scheme (FPTAS) for computing a minimum cost diameter-constrained Steiner tree under a fixed topology.

Stability and Convergence of Underintegrated Finite Element Approximations

NASA Technical Reports Server (NTRS)

Oden, J. T.

1984-01-01

The effects of underintegration on the numerical stability and convergence characteristics of certain classes of finite element approximations were analyzed. Particular attention is given to hourglassing instabilities that arise from underintegrating the stiffness matrix entries and checkerboard instabilities that arise from underintegrating constrain terms such as those arising from incompressibility conditions. A fundamental result reported here is the proof that the fully integrated stiffness is restored in some cases through a post-processing operation.

Constraining magma physical properties and its temporal evolution from InSAR and topographic data only: a physics-based eruption model for the effusive phase of the Cordon Caulle 2011-2012 rhyodacitic eruption

NASA Astrophysics Data System (ADS)

Delgado, F.; Kubanek, J.; Anderson, K. R.; Lundgren, P.; Pritchard, M. E.

2017-12-01

The 2011-2012 eruption of Cordón Caulle volcano in Chile is the best scientifically observed rhyodacitic eruption and is thus a key place to understand the dynamics of these rare but powerful explosive rhyodacitic eruptions. Because the volatile phase controls both the eruption temporal evolution and the eruptive style, either explosive or effusive, it is important to constrain the physical parameters that drive these eruptions. The eruption began explosively and after two weeks evolved into a hybrid explosive - lava flow effusion whose volume-time evolution we constrain with a series of TanDEM-X Digital Elevation Models. Our data shows the intrusion of a large volume laccolith or cryptodome during the first 2.5 months of the eruption and lava flow effusion only afterwards, with a total volume of 1.4 km3. InSAR data from the ENVISAT and TerraSAR-X missions shows more than 2 m of subsidence during the effusive eruption phase produced by deflation of a finite spheroidal source at a depth of 5 km. In order to constrain the magma total H2O content, crystal cargo, and reservoir pressure drop we numerically solve the coupled set of equations of a pressurized magma reservoir, magma conduit flow and time dependent density, volatile exsolution and viscosity that we use to invert the InSAR and topographic data time series. We compare the best-fit model parameters with independent estimates of magma viscosity and total gas content measured from lava samples. Preliminary modeling shows that although it is not possible to model both the InSAR and the topographic data during the onset of the laccolith emplacement, it is possible to constrain the magma H2O and crystal content, to 4% wt and 30% which agree well with published literature values.

Optimal Tikhonov Regularization in Finite-Frequency Tomography

NASA Astrophysics Data System (ADS)

Fang, Y.; Yao, Z.; Zhou, Y.

2017-12-01

The last decade has witnessed a progressive transition in seismic tomography from ray theory to finite-frequency theory which overcomes the resolution limit of the high-frequency approximation in ray theory. In addition to approximations in wave propagation physics, a main difference between ray-theoretical tomography and finite-frequency tomography is the sparseness of the associated sensitivity matrix. It is well known that seismic tomographic problems are ill-posed and regularizations such as damping and smoothing are often applied to analyze the tradeoff between data misfit and model uncertainty. The regularizations depend on the structure of the matrix as well as noise level of the data. Cross-validation has been used to constrain data uncertainties in body-wave finite-frequency inversions when measurements at multiple frequencies are available to invert for a common structure. In this study, we explore an optimal Tikhonov regularization in surface-wave phase-velocity tomography based on minimization of an empirical Bayes risk function using theoretical training datasets. We exploit the structure of the sensitivity matrix in the framework of singular value decomposition (SVD) which also allows for the calculation of complete resolution matrix. We compare the optimal Tikhonov regularization in finite-frequency tomography with traditional tradeo-off analysis using surface wave dispersion measurements from global as well as regional studies.

Effects of orientation on acoustic scattering from Antarctic krill at 120 kHz

NASA Astrophysics Data System (ADS)

McGehee, D. E.; O'Driscoll, R. L.; Traykovski, L. V. Martin

Backscattering measurements of 14 live individual Antarctic krill ( Euphausia superba) were made at a frequency of 120 kHz in a chilled insulated tank at the Long Marine Laboratory in Santa Cruz, CA. Individual animals were suspended in front of the transducers, were only loosely constrained, had substantial freedom to move, and showed more or less random orientation. One thousand echoes were collected per animal. Orientation data were recorded on video. The acoustic data were analyzed and target strengths determined from each echo. A method was developed for estimating the three-dimensional orientation of the krill based on the video images and was applied to five of them, giving their target strengths as functions of orientation. Scattering models based on a simplified distorted-wave Born approximation (DWBA) method were developed for five animals and compared with the measurements. Both measured and modeled scattering patterns showed that 120 kHz acoustic scattering levels are highly dependent on animal orientation. Use of these scattering patterns with orientation data from shipboard studies of E. superba gave mean scattering levels approximately 12 dB lower than peak levels. These results underscore the need for better in situ behavioral data to properly interpret acoustic survey results. A generic E. superba DWBA scattering model is proposed that is scalable by animal length. With good orientation information, this model could significantly improve the precision and accuracy of krill acoustic surveys.

First Compilation and Evaluation of Beta-Delayed Neutron Emission Probabilities and Associated Half-Lives for A ≤72 Nuclei

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

Birch, M.; Singh, B.; Abriola, D.

2014-06-01

After a comprehensive compilation and evaluation of beta-delayed neutron (β -n) emission probabilities, P n, and associated half-lives for A ≤ 72 nuclei has been performed for the first time. The recommended values have been used to analyze the systematics of β -nemission in this region. The ratio P n/T 1/2 is better correlated with the Q-value of the β -n decay mode than the previously proposed Kratz-Herrmann Formula (KHF). Moreover, the recommended values are also compared with theoretical quasi-particle random phase approximation (QRPA) calculations.

Skyrme RPA description of γ-vibrational states in rare-earth nuclei

NASA Astrophysics Data System (ADS)

Nesterenko, V. O.; Kartavenko, V. G.; Kleinig, W.; Kvasil, J.; Repko, A.; Jolos, R. V.; Reinhard, P.-G.

2016-01-01

The lowest γ-vibrational states with Kπ = 2+γ in well-deformed Dy, Er and Yb isotopes are investigated within the self-consistent separable quasiparticle random-phase-approximation (QRPA) approach based on the Skyrme functional. The energies Eγ and reduced transition probabilities B(E2)γ of the states are calculated with the Skyrme force SV-mas10. We demonstrate the strong effect of the pairing blocking on the energies of γ-vibrational states. It is also shown that collectivity of γ-vibrational states is strictly determined by keeping the Nilsson selection rules in the corresponding lowest 2qp configurations.

Variational method of determining effective moduli of polycrystals: (A) hexagonal symmetry, (B) trigonal symmetry

USGS Publications Warehouse

Peselnick, L.; Meister, R.

1965-01-01

Variational principles of anisotropic elasticity have been applied to aggregates of randomly oriented pure-phase polycrystals having hexagonal symmetry and trigonal symmetry. The bounds of the effective elastic moduli obtained in this way show a considerable improvement over the bounds obtained by means of the Voigt and Reuss assumptions. The Hill average is found to be in most cases a good approximation when compared to the bounds found from the variational method. The new bounds reduce in their limits to the Voigt and Reuss values. ?? 1965 The American Institute of Physics.

Influence of complex configurations on properties of pygmy dipole resonances

NASA Astrophysics Data System (ADS)

Arsenyev, N. N.; Severyukhin, A. P.; Voronov, V. V.; Van Giai, Nguyen

2018-05-01

Starting from the quasiparticle random phase approximation based on the Skyrme interaction SLy5, we study the effects of phonon-phonon coupling (PPC) on the low-energy electric dipole responses in some spherical nuclei. The inclusion of the PPC results in the formation of low-energy 1‑ states. There is an impact of the PPC effect on low-energy E1 strength. The PPC effect on the electric dipole polarizability is discussed. We predict a strong increase of the summed E1 strength below 10 MeV, with increasing neutron number from 48Ca till 58Ca.

Optical phonon effect in quasi-one-dimensional semiconductor quantum wires: Band-gap renormalization

NASA Astrophysics Data System (ADS)

Dan, Nguyen Trung; Bechstedt, F.

1996-02-01

We present theoretical studies of dynamical screening in quasi-one-dimensional semiconductor quantum wires including electron-electron and electron-LO-phonon interactions. Within the random-phase approximation we obtain analytical expressions for screened interaction potentials. These expressions can be used to calculate the band-gap renormalization of quantum wires, which depends on the free-carrier density and temperature. We find that the optical phonon interaction effect plays a significant role in band-gap renormalization of quantum wires. The numerical results are compared with some recent experiment measurements as well as available theories.

Tidal dissipation in the subsurface ocean of Enceladus

NASA Astrophysics Data System (ADS)

Matsuyama, I.; Hay, H.; Nimmo, F.; Kamata, S.

2017-12-01

Icy satellites of the outer solar system have emerged as potential habitable worlds due to the presence of subsurface oceans. As a long-term energy source, tidal heating in these oceans can influence the survivability of subsurface oceans, and the thermal, rotational, and orbital evolution of these satellites. Additionally, the spatial and temporal variation of tidal heating has implications for the interior structure and spacecraft observations. Previous models for dissipation in thin oceans are not generally applicable to icy satellites because either they ignore the presence of an overlying solid shell or use a thin shell membrane approximation. We present a new theoretical treatment for tidal dissipation in thin oceans with overlying shells of arbitrary thickness and apply it to Enceladus. The shell's resistance to ocean tides increases with shell thickness, reducing tidal dissipation as expected. Both the magnitude of energy dissipation and the resonant ocean thicknesses decrease as the overlying shell thickness increases, as previously shown using a membrane approximation. In contrast to previous work based on the traditional definition of the tidal quality factor, Q, our new definition is consistent with higher energy dissipation for smaller Q, and introduces a lower limit on Q. The dissipated power and tides are not in phase with the forcing tidal potential due to the delayed ocean response. The phase lag depends on the Rayleigh friction coefficient and ocean and shell thicknesses, which implies that phase lag observations can be used to constrain these parameters. Eccentricity heating produces higher dissipation near the poles, while obliquity heating produces higher dissipation near the equator, in contrast to the dissipation patterns in the shell. The time-averaged surface distribution of tidal heating can generate lateral shell thickness variations, providing an additional constraint on the Rayleigh friction coefficient. Explaining the endogenic power radiated from the south polar terrain requires shell thicknesses smaller than about 1 km, a value that is not consistent with recent libration, gravity and topography constraints.

Time-dependent Gutzwiller theory of magnetic excitations in the Hubbard model

NASA Astrophysics Data System (ADS)

Seibold, G.; Becca, F.; Rubin, P.; Lorenzana, J.

2004-04-01

We use a spin-rotational invariant Gutzwiller energy functional to compute random-phase-approximation-like (RPA) fluctuations on top of the Gutzwiller approximation (GA). The method can be viewed as an extension of the previously developed GA+RPA approach for the charge sector [G. Seibold and J. Lorenzana, Phys. Rev. Lett. 86, 2605 (2001)] with respect to the inclusion of the magnetic excitations. Unlike the charge case, no assumptions about the time evolution of the double occupancy are needed in this case. Interestingly, in a spin-rotational invariant system, we find the correct degeneracy between triplet excitations, showing the consistency of both computations. Since no restrictions are imposed on the symmetry of the underlying saddle-point solution, our approach is suitable for the evaluation of the magnetic susceptibility and dynamical structure factor in strongly correlated inhomogeneous systems. We present a detailed study of the quality of our approach by comparing with exact diagonalization results and show its much higher accuracy compared to the conventional Hartree-Fock+RPA theory. In infinite dimensions, where the GA becomes exact for the Gutzwiller variational energy, we evaluate ferromagnetic and antiferromagnetic instabilities from the transverse magnetic susceptibility. The resulting phase diagram is in complete agreement with previous variational computations.

Simulation of angular-resolved RABBITT measurements in noble-gas atoms

NASA Astrophysics Data System (ADS)

Bray, Alexander W.; Naseem, Faiza; Kheifets, Anatoli S.

2018-06-01

We simulate angular-resolved RABBITT (reconstruction of attosecond beating by interference of two-photon transitions) measurements on valence shells of noble-gas atoms (Ne, Ar, Kr, and Xe). Our nonperturbative numerical simulation is based on solution of the time-dependent Schrödinger equation (TDSE) for a target atom driven by an ionizing XUV and dressing IR fields. From these simulations we extract the angular-dependent magnitude and phase of the RABBITT oscillations and deduce the corresponding angular anisotropy β parameter and Wigner time delay τW for the single XUV photon absorption that initiates the RABBITT process. Said β and τW parameters are compared with calculations in the random-phase approximation with exchange (RPAE), which includes intershell correlation. This comparison is used to test various effective potentials employed in the one-electron TDSE. In lighter atoms (Ne and Ar), several effective potentials are found to provide accurate simulations of RABBITT measurements for a wide range of photon energies up to 100 eV above the valence-shell threshold. In heavier atoms (Kr and Xe), the onset of strong correlation with the d shell restricts the validity of the single active electron approximation to several tens of eV above the valence-shell threshold.

Constrained optimal multi-phase lunar landing trajectory with minimum fuel consumption

NASA Astrophysics Data System (ADS)

Mathavaraj, S.; Pandiyan, R.; Padhi, R.

2017-12-01

A Legendre pseudo spectral philosophy based multi-phase constrained fuel-optimal trajectory design approach is presented in this paper. The objective here is to find an optimal approach to successfully guide a lunar lander from perilune (18km altitude) of a transfer orbit to a height of 100m over a specific landing site. After attaining 100m altitude, there is a mission critical re-targeting phase, which has very different objective (but is not critical for fuel optimization) and hence is not considered in this paper. The proposed approach takes into account various mission constraints in different phases from perilune to the landing site. These constraints include phase-1 ('braking with rough navigation') from 18km altitude to 7km altitude where navigation accuracy is poor, phase-2 ('attitude hold') to hold the lander attitude for 35sec for vision camera processing for obtaining navigation error, and phase-3 ('braking with precise navigation') from end of phase-2 to 100m altitude over the landing site, where navigation accuracy is good (due to vision camera navigation inputs). At the end of phase-1, there are constraints on position and attitude. In Phase-2, the attitude must be held throughout. At the end of phase-3, the constraints include accuracy in position, velocity as well as attitude orientation. The proposed optimal trajectory technique satisfies the mission constraints in each phase and provides an overall fuel-minimizing guidance command history.

Review of Random Phase Encoding in Volume Holographic Storage

PubMed Central

Su, Wei-Chia; Sun, Ching-Cherng

2012-01-01

Random phase encoding is a unique technique for volume hologram which can be applied to various applications such as holographic multiplexing storage, image encryption, and optical sensing. In this review article, we first review and discuss diffraction selectivity of random phase encoding in volume holograms, which is the most important parameter related to multiplexing capacity of volume holographic storage. We then review an image encryption system based on random phase encoding. The alignment of phase key for decryption of the encoded image stored in holographic memory is analyzed and discussed. In the latter part of the review, an all-optical sensing system implemented by random phase encoding and holographic interconnection is presented.

Review of Recent Methodological Developments in Group-Randomized Trials: Part 1—Design

PubMed Central

Li, Fan; Gallis, John A.; Prague, Melanie; Murray, David M.

2017-01-01

In 2004, Murray et al. reviewed methodological developments in the design and analysis of group-randomized trials (GRTs). We have highlighted the developments of the past 13 years in design with a companion article to focus on developments in analysis. As a pair, these articles update the 2004 review. We have discussed developments in the topics of the earlier review (e.g., clustering, matching, and individually randomized group-treatment trials) and in new topics, including constrained randomization and a range of randomized designs that are alternatives to the standard parallel-arm GRT. These include the stepped-wedge GRT, the pseudocluster randomized trial, and the network-randomized GRT, which, like the parallel-arm GRT, require clustering to be accounted for in both their design and analysis. PMID:28426295

Review of Recent Methodological Developments in Group-Randomized Trials: Part 1-Design.

PubMed

Turner, Elizabeth L; Li, Fan; Gallis, John A; Prague, Melanie; Murray, David M

2017-06-01

In 2004, Murray et al. reviewed methodological developments in the design and analysis of group-randomized trials (GRTs). We have highlighted the developments of the past 13 years in design with a companion article to focus on developments in analysis. As a pair, these articles update the 2004 review. We have discussed developments in the topics of the earlier review (e.g., clustering, matching, and individually randomized group-treatment trials) and in new topics, including constrained randomization and a range of randomized designs that are alternatives to the standard parallel-arm GRT. These include the stepped-wedge GRT, the pseudocluster randomized trial, and the network-randomized GRT, which, like the parallel-arm GRT, require clustering to be accounted for in both their design and analysis.

Robust LS-SVM-based adaptive constrained control for a class of uncertain nonlinear systems with time-varying predefined performance

NASA Astrophysics Data System (ADS)

Luo, Jianjun; Wei, Caisheng; Dai, Honghua; Yuan, Jianping

2018-03-01

This paper focuses on robust adaptive control for a class of uncertain nonlinear systems subject to input saturation and external disturbance with guaranteed predefined tracking performance. To reduce the limitations of classical predefined performance control method in the presence of unknown initial tracking errors, a novel predefined performance function with time-varying design parameters is first proposed. Then, aiming at reducing the complexity of nonlinear approximations, only two least-square-support-vector-machine-based (LS-SVM-based) approximators with two design parameters are required through norm form transformation of the original system. Further, a novel LS-SVM-based adaptive constrained control scheme is developed under the time-vary predefined performance using backstepping technique. Wherein, to avoid the tedious analysis and repeated differentiations of virtual control laws in the backstepping technique, a simple and robust finite-time-convergent differentiator is devised to only extract its first-order derivative at each step in the presence of external disturbance. In this sense, the inherent demerit of backstepping technique-;explosion of terms; brought by the recursive virtual controller design is conquered. Moreover, an auxiliary system is designed to compensate the control saturation. Finally, three groups of numerical simulations are employed to validate the effectiveness of the newly developed differentiator and the proposed adaptive constrained control scheme.

Making Self-Help More Helpful: A Randomized Controlled Trial of the Impact of Augmenting Self-Help Materials with Implementation Intentions on Promoting the Effective Self-Management of Anxiety Symptoms

ERIC Educational Resources Information Center

Varley, Rachel; Webb, Thomas L.; Sheeran, Paschal

2011-01-01

Objective: The effectiveness of self-help materials may be constrained by failures to undertake recommended exercises or to deploy the techniques that one has learned at the critical moment. The present randomized controlled trial investigated whether augmenting self-help materials with if-then plans (or implementation intentions) could overcome…

Stochastic modelling of a single ion channel: an alternating renewal approach with application to limited time resolution.

PubMed

Milne, R K; Yeo, G F; Edeson, R O; Madsen, B W

1988-04-22

Stochastic models of ion channels have been based largely on Markov theory where individual states and transition rates must be specified, and sojourn-time densities for each state are constrained to be exponential. This study presents an approach based on random-sum methods and alternating-renewal theory, allowing individual states to be grouped into classes provided the successive sojourn times in a given class are independent and identically distributed. Under these conditions Markov models form a special case. The utility of the approach is illustrated by considering the effects of limited time resolution (modelled by using a discrete detection limit, xi) on the properties of observable events, with emphasis on the observed open-time (xi-open-time). The cumulants and Laplace transform for a xi-open-time are derived for a range of Markov and non-Markov models; several useful approximations to the xi-open-time density function are presented. Numerical studies show that the effects of limited time resolution can be extreme, and also highlight the relative importance of the various model parameters. The theory could form a basis for future inferential studies in which parameter estimation takes account of limited time resolution in single channel records. Appendixes include relevant results concerning random sums and a discussion of the role of exponential distributions in Markov models.

Qualitative analysis of mycotoxins using micellar electrokinetic capillary chromatography

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

Holland, R.D.; Sepaniak, M.J.

1993-05-01

Naturally occurring mycotoxins are separated using micellar electrokinetic capillary chromatography. Trends in the retention of these toxins, resulting from changes in mobile-phase composition and pH, are reported and presented as a means of alleviating coelution problems. Two sets of mobile-phase conditions are determined that provide unique separation selectivity. The facile manner by which mobile-phase conditions can be altered, without changes in instrumental configuration, allowed the acquisition of two distinctive, fully resolved chromatograms of 10 mycotoxins in a period of approximately 45 min. By adjusting retention times, using indigenous or added components in mycotoxin samples as normalization standards, it is possiblemore » to obtain coefficients of variation in retention time that average less than 1%. The qualitative capabilities of this methodology are evaluated by separating randomly generated mycotoxin-interferent mixtures. In this study, the utilization of normalized retention times applied to separations obtained with two sets of mobile-phase conditions permitted the identification of all the mycotoxins in five unknown samples without any misidentifications. 24 refs., 3 figs., 2 tabs.« less

Polarimetry With Phased Array Antennas: Theoretical Framework and Definitions

NASA Astrophysics Data System (ADS)

Warnick, Karl F.; Ivashina, Marianna V.; Wijnholds, Stefan J.; Maaskant, Rob

2012-01-01

For phased array receivers, the accuracy with which the polarization state of a received signal can be measured depends on the antenna configuration, array calibration process, and beamforming algorithms. A signal and noise model for a dual-polarized array is developed and related to standard polarimetric antenna figures of merit, and the ideal polarimetrically calibrated, maximum-sensitivity beamforming solution for a dual-polarized phased array feed is derived. A practical polarimetric beamformer solution that does not require exact knowledge of the array polarimetric response is shown to be equivalent to the optimal solution in the sense that when the practical beamformers are calibrated, the optimal solution is obtained. To provide a rough initial polarimetric calibration for the practical beamformer solution, an approximate single-source polarimetric calibration method is developed. The modeled instrumental polarization error for a dipole phased array feed with the practical beamformer solution and single-source polarimetric calibration was -10 dB or lower over the array field of view for elements with alignments perturbed by random rotations with 5 degree standard deviation.

Statistical properties of solar flares and coronal mass ejections through the solar cycle

NASA Astrophysics Data System (ADS)

Telloni, Daniele; Carbone, Vincenzo; Lepreti, Fabio; Antonucci, Ester

2016-03-01

Waiting Time Distributions (WTDs) of solar flares are investigated all through the solar cycle. The same approach applied to Coronal Mass Ejections (CMEs) in a previous work is considered here for flare occurrence. Our analysis reveals that flares and CMEs share some common statistical properties, which result dependent on the level of solar activity. Both flares and CMEs seem to independently occur during minimum solar activity phases, whilst their WTDs significantly deviate from a Poisson function at solar maximum, thus suggesting that these events are correlated. The characteristics of WTDs are constrained by the physical processes generating those eruptions associated with flares and CMEs. A scenario may be drawn in which different mechanisms are actively at work during different phases of the solar cycle. Stochastic processes, most likely related to random magnetic reconnections of the field lines, seem to play a key role during solar minimum periods. On the other hand, persistent processes, like sympathetic eruptions associated to the variability of the photospheric magnetism, are suggested to dominate during periods of high solar activity. Moreover, despite the similar statistical properties shown by flares and CMEs, as it was mentioned above, their WTDs appear different in some aspects. During solar minimum periods, the flare occurrence randomness seems to be more evident than for CMEs. Those persistent mechanisms generating interdependent events during maximum periods of solar activity can be suggested to play a more important role for CMEs than for flares, thus mitigating the competitive action of the random processes, which seem instead strong enough to weaken the correlations among flare event occurrence during solar minimum periods. However, it cannot be excluded that the physical processes at the basis of the origin of the temporal correlation between solar events are different for flares and CMEs, or that, more likely, more sophisticated effects are at work at the same time leading to an even more complex picture. This work represents a first step for further investigations.

On Bernstein type inequalities and a weighted Chebyshev approximation problem on ellipses

NASA Technical Reports Server (NTRS)

Freund, Roland

1989-01-01

A classical inequality due to Bernstein which estimates the norm of polynomials on any given ellipse in terms of their norm on any smaller ellipse with the same foci is examined. For the uniform and a certain weighted uniform norm, and for the case that the two ellipses are not too close, sharp estimates of this type were derived and the corresponding extremal polynomials were determined. These Bernstein type inequalities are closely connected with certain constrained Chebyshev approximation problems on ellipses. Some new results were also presented for a weighted approximation problem of this type.

NASA/DOD Aerospace Knowledge Diffusion Research Project. Report 4: Summary report to phase 1 respondents

NASA Technical Reports Server (NTRS)

Pinelli, Thomas E.; Kennedy, John M.; White, Terry F.

1991-01-01

Phase 1 of a 4 part study was undertaken studying the use of scientific and technical information (STI) by U.S. aerospace engineers and scientists. Specific attention was paid to institutional and socioeconomic variables and to the step-by-step process of information gathering used by the respondents. Data were collected by means of three self administered mail-back questionnaires. The approximately 34,000 members of the American Institute of Aeronautics and Astronautics (AIAA) served as the study population. More than 65 percent of the randomly selected respondents returned the questionnaires in each of the three groups. Respondents relied more heavily upon informal sources of information than formal sources and turned to librarians and other technical information specialists only when they did not obtain results via informal means or their own formal searches.

Hydrogen and Ferric Iron in Mars Materials

NASA Technical Reports Server (NTRS)

Dyar, Melinda D.

2004-01-01

Knowledge of oxygen and hydrogen fugacity is of paramount importance in constraining phase equilibria and crystallization processes of melts, as well as understanding the partitioning of elements between the cope and silicate portions of terrestrial planets. H and Fe(3+) must both be analyzed in order to reconstruct hydrogen and oxygen fugacities on Mars. To date, SIMS data have elucidated D/H and H contents of hydrous phases in SNC meteorites, but until now anhydrous martian minerals have not been systematically examined for trace hydrogen. Ferric iron has been quantified using XANES in many martian phases, but integrated studies of both Fe(3+) and H on the same spots are really needed to address the H budget. Finally, the effects of shock on both Fe(3+) and H in hydrous and anhydrous phases must be quantified. Thus, the overall goal of this research was to understand the oxygen and hydrogen fugacities under which martian samples crystallized. In this research one-year project, we approached this problem by 1) characterizing Fe(3+) and H contents of SNC meteorites using both bulk (Mossbauer spectroscopy and uranium extraction, respectively) and microscale (synchrotron micro-XANES and SIMS) methods; 2) relating Fe(3+) and H contents of martian minerals to their oxygen and hydrogen fugacities through analysis of experimentally equilibrated phases (for pyroxene) and through study of volcanic rocks in which the oxygen and hydrogen fugacities can be independently constrained (for feldspar); and 3) studying the effects of shock processes on Fe(3+) and H contents of the phases of interest. Results have been used to assess quantitatively the distribution of H and Fe(3+) among phases in the martian interior, which will better constrain the geodynamic processes of the interior, as well as the overall hydrogen and water budgets on Mars. There were no inventions funded by this research.

Morphological Differentiation of Colon Carcinoma Cell Lines in Rotating Wall Vessels

NASA Technical Reports Server (NTRS)

Jessup, J. M.

1994-01-01

The objectives of this project were to determine whether (1) microgravity permits unique, three-dimensional cultures of neoplastic human colon tissues and (2) this culture interaction produces novel intestinal growth and differentiation factors. The initial phase of this project tested the efficacy of simulated microgravity for the cultivation and differentiation of human colon carcinoma in rotating wall vessels (RWV's) on microcarrier beads. The RWV's simulate microgravity by randomizing the gravity vector in an aqueous medium under a low shear stress environment in unit gravity. This simulation achieves approximately a one-fifth g environment that allows cells to 'float' and form three-dimensional relationships with less shear stress than in other stirred aqueous medium bioreactors. In the second phase of this project we assessed the ability of human colon carcinoma lines to adhere to various substrates because adhesion is the first event that must occur to create three-dimensional masses. Finally, we tested growth factor production in the last phase of this project.

One-dimensional numerical study of charged particle trajectories in turbulent electrostatic wave fields

NASA Technical Reports Server (NTRS)

Graham, K. N.; Fejer, J. A.

1976-01-01

The paper describes a numerical simulation of electron trajectories in weak random electric fields under conditions that are approximately true for Langmuir waves whose wavelength is much longer than the Debye length. Two types of trajectory calculations were made: (1) the initial particle velocity was made equal to the mean phase velocity of the waves, or (2) it was equal to 0.7419 times the mean velocity of the waves, so that the initial velocity differed substantially from all phase velocities of the wave spectrum. When the autocorrelation time is much greater than the trapping time, the particle motion can change virtually instantaneously from one of three states - high-velocity, low-velocity, or trapped state - to another. The probability of instantaneous transition from a high- or low-velocity state becomes small when the difference between the particle velocity and the mean phase velocity of the waves becomes high in comparison to the trapping velocity. Diffusive motion becomes negligible under these conditions also.

Further Constraints and Uncertainties on the Deep Seismic Structure of the Moon

NASA Technical Reports Server (NTRS)

Lin, Pei-Ying Patty; Weber, Renee C.; Garnero, Ed J.; Schmerr, Nicholas C.

2011-01-01

The Apollo Passive Seismic Experiment (APSE) consisted of four 3-component seismometers deployed between 1969 and 1972, that continuously recorded lunar ground motion until late 1977. The APSE data provide a unique opportunity for investigating the interior of a planet other than Earth, generating the most direct constraints on the elastic structure, and hence the thermal and compositional evolution of the Moon. Owing to the lack of far side moonquakes, past seismic models of the lunar interior were unable to constrain the lowermost 500 km of the interior. Recently, array methodologies aimed at detecting deep lunar seismic reflections found evidence for a lunar core, providing an elastic model of the deepest lunar interior consistent with geodetic parameters. Here we study the uncertainties in these models associated with the double array stacking of deep moonquakes for imaging deep reflectors in the Moon. We investigate the dependency of the array stacking results on a suite of parameters, including amplitude normalization assumptions, polarization filters, assumed velocity structure, and seismic phases that interfere with our desired target phases. These efforts are facilitated by the generation of synthetic seismograms at high frequencies (approx. 1Hz), allowing us to directly study the trade-offs between different parameters. We also investigate expected amplitudes of deep reflections relative to direct P and S arrivals, including predictions from arbitrarily oriented focal mechanisms in our synthetics. Results from separate versus combined station stacking help to establish the robustness of stacks. Synthetics for every path geometry of data were processed identically to that done with data. Different experiments were aimed at examining various processing assumptions, such as adding random noise to synthetics and mixing 3 components to some degree. The principal stacked energy peaks put forth in recent work persist, but their amplitude (which maps into reflector impedance contrast) and timing (which maps into reflector depth) depend on factors that are not well constrained -- most notably, the velocity structure of the overlying lunar interior. Thus, while evidence for the lunar core remains strong, the depths of imaged reflectors have associated uncertainties that will require new seismic data and observations to constrain. These results strongly advocate further investigations on the Moon to better resolve the interior (e.g., Selene missions), for the Moon apparently has a rich history of construction and evolution that is inextricably tied to that of Earth.

Magnetic dipole strength in 128Xe and 134Xe in the spin-flip resonance region

NASA Astrophysics Data System (ADS)

Massarczyk, R.; Rusev, G.; Schwengner, R.; Dönau, F.; Bhatia, C.; Gooden, M. Â. E.; Kelley, J. Â. H.; Tonchev, A. Â. P.; Tornow, W.

2014-11-01

The magnetic dipole strength in the energy region of the spin-flip resonance is investigated in 128Xe and 134Xe using quasimonoenergetic and linearly polarized γ -ray beams at the High-Intensity γ -Ray Source facility in Durham, North Carolina, USA. Absorption cross sections were deduced for the magnetic and electric and dipole strength distributions separately for various intervals of excitation energy, including the strength of states in the unresolved quasicontinuum. The magnetic dipole strength distributions show structures resembling a resonance in the spin-flip region around an excitation energy of 8 MeV. The electric dipole strength distributions obtained from the present experiments are in agreement with the ones deduced from an earlier experiment using broad-band bremsstrahlung instead of a quasimonoenergetic beam. The experimental magnetic and electric dipole strength distributions are compared with phenomenological approximations and with predictions of a quasiparticle random phase approximation in a deformed basis.

Bond breaking and bond formation: how electron correlation is captured in many-body perturbation theory and density-functional theory.

PubMed

Caruso, Fabio; Rohr, Daniel R; Hellgren, Maria; Ren, Xinguo; Rinke, Patrick; Rubio, Angel; Scheffler, Matthias

2013-04-05

For the paradigmatic case of H(2) dissociation, we compare state-of-the-art many-body perturbation theory in the GW approximation and density-functional theory in the exact-exchange plus random-phase approximation (RPA) for the correlation energy. For an unbiased comparison and to prevent spurious starting point effects, both approaches are iterated to full self-consistency (i.e., sc-RPA and sc-GW). The exchange-correlation diagrams in both approaches are topologically identical, but in sc-RPA they are evaluated with noninteracting and in sc-GW with interacting Green functions. This has a profound consequence for the dissociation region, where sc-RPA is superior to sc-GW. We argue that for a given diagrammatic expansion, sc-RPA outperforms sc-GW when it comes to bond breaking. We attribute this to the difference in the correlation energy rather than the treatment of the kinetic energy.

Optimal partitioning of random programs across two processors

NASA Technical Reports Server (NTRS)

Nicol, D. M.

1986-01-01

The optimal partitioning of random distributed programs is discussed. It is concluded that the optimal partitioning of a homogeneous random program over a homogeneous distributed system either assigns all modules to a single processor, or distributes the modules as evenly as possible among all processors. The analysis rests heavily on the approximation which equates the expected maximum of a set of independent random variables with the set's maximum expectation. The results are strengthened by providing an approximation-free proof of this result for two processors under general conditions on the module execution time distribution. It is also shown that use of this approximation causes two of the previous central results to be false.

Existence and discrete approximation for optimization problems governed by fractional differential equations

NASA Astrophysics Data System (ADS)

Bai, Yunru; Baleanu, Dumitru; Wu, Guo-Cheng

2018-06-01

We investigate a class of generalized differential optimization problems driven by the Caputo derivative. Existence of weak Carathe ´odory solution is proved by using Weierstrass existence theorem, fixed point theorem and Filippov implicit function lemma etc. Then a numerical approximation algorithm is introduced, and a convergence theorem is established. Finally, a nonlinear programming problem constrained by the fractional differential equation is illustrated and the results verify the validity of the algorithm.

Constraints on Io's interior from auroral spot oscillations

NASA Astrophysics Data System (ADS)

Roth, Lorenz; Saur, Joachim; Retherford, Kurt D.; Blöcker, Aljona; Strobel, Darrell F.; Feldman, Paul D.

2017-02-01

The morphology of Io's aurora is dominated by bright spots near the equator that oscillate up and down in approximate correlation with the oscillating orientation of the Jovian magnetospheric field. Analyzing Hubble Space Telescope images, we find that the auroral spots oscillate in phase with the time-variable Jovian magnetic field at Io and that the amplitude of the spot oscillations is reduced by 15% (±5%) with respect to the amplitude of the magnetic field oscillation. We investigate the effects of Io's plasma interaction and magnetic induction in the moon's interior on the magnetic field topology and the aurora oscillations using a magnetohydrodynamic (MHD) simulation and an analytical induction model. The results from the MHD simulation suggest that the plasma interaction has minor effects on the oscillations, while the magnetic induction generally reduces magnetic field oscillations near the surface. However, the analytical model shows that induction in any near-surface layer for which the skin depth is larger than the thickness—like a conductive magma ocean—would induce a phase shift, in conflict with the observations. Under the assumption that the spot oscillations represent the magnetic field oscillation, we constrain the conductance of a near-surface layer to 1 × 103 S or lower. A magma ocean with conductances of 104 S or higher as derived from Galileo magnetometer measurements would cause overly strong attenuation of the amplitude in addition to the irreconcilable phase shift. The observed weakly attenuated, in-phase spot oscillation is consistent with induction in a deep, highly conductive layer like Io's metallic core.

Performance of the strongly constrained and appropriately normed density functional for solid-state materials

DOE PAGES

Isaacs, Eric B.; Wolverton, Chris

2018-06-22

Constructed to satisfy 17 known exact constraints for a semilocal density functional, the strongly constrained and appropriately normed (SCAN) meta-generalized-gradient-approximation functional has shown early promise for accurately describing the electronic structure of molecules and solids. One open question is how well SCAN predicts the formation energy, a key quantity for describing the thermodynamic stability of solid-state compounds. To answer this question, we perform an extensive benchmark of SCAN by computing the formation energies for a diverse group of nearly 1000 crystalline compounds for which experimental values are known. Due to an enhanced exchange interaction in the covalent bonding regime, SCANmore » substantially decreases the formation energy errors for strongly bound compounds, by approximately 50% to 110 meV/atom, as compared to the generalized gradient approximation of Perdew, Burke, and Ernzerhof (PBE). However, for intermetallic compounds, SCAN performs moderately worse than PBE with an increase in formation energy error of approximately 20%, stemming from SCAN's distinct behavior in the weak bonding regime. The formation energy errors can be further reduced via elemental chemical potential fitting. We find that SCAN leads to significantly more accurate predicted crystal volumes, moderately enhanced magnetism, and mildly improved band gaps as compared to PBE. Altogether, SCAN represents a significant improvement in accurately describing the thermodynamics of strongly bound compounds.« less

Performance of the strongly constrained and appropriately normed density functional for solid-state materials

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

Isaacs, Eric B.; Wolverton, Chris

Constructed to satisfy 17 known exact constraints for a semilocal density functional, the strongly constrained and appropriately normed (SCAN) meta-generalized-gradient-approximation functional has shown early promise for accurately describing the electronic structure of molecules and solids. One open question is how well SCAN predicts the formation energy, a key quantity for describing the thermodynamic stability of solid-state compounds. To answer this question, we perform an extensive benchmark of SCAN by computing the formation energies for a diverse group of nearly 1000 crystalline compounds for which experimental values are known. Due to an enhanced exchange interaction in the covalent bonding regime, SCANmore » substantially decreases the formation energy errors for strongly bound compounds, by approximately 50% to 110 meV/atom, as compared to the generalized gradient approximation of Perdew, Burke, and Ernzerhof (PBE). However, for intermetallic compounds, SCAN performs moderately worse than PBE with an increase in formation energy error of approximately 20%, stemming from SCAN's distinct behavior in the weak bonding regime. The formation energy errors can be further reduced via elemental chemical potential fitting. We find that SCAN leads to significantly more accurate predicted crystal volumes, moderately enhanced magnetism, and mildly improved band gaps as compared to PBE. Altogether, SCAN represents a significant improvement in accurately describing the thermodynamics of strongly bound compounds.« less

Phenotypic constraints promote latent versatility and carbon efficiency in metabolic networks.

PubMed

Bardoscia, Marco; Marsili, Matteo; Samal, Areejit

2015-07-01

System-level properties of metabolic networks may be the direct product of natural selection or arise as a by-product of selection on other properties. Here we study the effect of direct selective pressure for growth or viability in particular environments on two properties of metabolic networks: latent versatility to function in additional environments and carbon usage efficiency. Using a Markov chain Monte Carlo (MCMC) sampling based on flux balance analysis (FBA), we sample from a known biochemical universe random viable metabolic networks that differ in the number of directly constrained environments. We find that the latent versatility of sampled metabolic networks increases with the number of directly constrained environments and with the size of the networks. We then show that the average carbon wastage of sampled metabolic networks across the constrained environments decreases with the number of directly constrained environments and with the size of the networks. Our work expands the growing body of evidence about nonadaptive origins of key functional properties of biological networks.

Resting-State Functional Connectivity Emerges from Structurally and Dynamically Shaped Slow Linear Fluctuations

PubMed Central

Deco, Gustavo; Mantini, Dante; Romani, Gian Luca; Hagmann, Patric; Corbetta, Maurizio

2013-01-01

Brain fluctuations at rest are not random but are structured in spatial patterns of correlated activity across different brain areas. The question of how resting-state functional connectivity (FC) emerges from the brain's anatomical connections has motivated several experimental and computational studies to understand structure–function relationships. However, the mechanistic origin of resting state is obscured by large-scale models' complexity, and a close structure–function relation is still an open problem. Thus, a realistic but simple enough description of relevant brain dynamics is needed. Here, we derived a dynamic mean field model that consistently summarizes the realistic dynamics of a detailed spiking and conductance-based synaptic large-scale network, in which connectivity is constrained by diffusion imaging data from human subjects. The dynamic mean field approximates the ensemble dynamics, whose temporal evolution is dominated by the longest time scale of the system. With this reduction, we demonstrated that FC emerges as structured linear fluctuations around a stable low firing activity state close to destabilization. Moreover, the model can be further and crucially simplified into a set of motion equations for statistical moments, providing a direct analytical link between anatomical structure, neural network dynamics, and FC. Our study suggests that FC arises from noise propagation and dynamical slowing down of fluctuations in an anatomically constrained dynamical system. Altogether, the reduction from spiking models to statistical moments presented here provides a new framework to explicitly understand the building up of FC through neuronal dynamics underpinned by anatomical connections and to drive hypotheses in task-evoked studies and for clinical applications. PMID:23825427

Resting-state functional connectivity emerges from structurally and dynamically shaped slow linear fluctuations.

PubMed

Deco, Gustavo; Ponce-Alvarez, Adrián; Mantini, Dante; Romani, Gian Luca; Hagmann, Patric; Corbetta, Maurizio

2013-07-03

Brain fluctuations at rest are not random but are structured in spatial patterns of correlated activity across different brain areas. The question of how resting-state functional connectivity (FC) emerges from the brain's anatomical connections has motivated several experimental and computational studies to understand structure-function relationships. However, the mechanistic origin of resting state is obscured by large-scale models' complexity, and a close structure-function relation is still an open problem. Thus, a realistic but simple enough description of relevant brain dynamics is needed. Here, we derived a dynamic mean field model that consistently summarizes the realistic dynamics of a detailed spiking and conductance-based synaptic large-scale network, in which connectivity is constrained by diffusion imaging data from human subjects. The dynamic mean field approximates the ensemble dynamics, whose temporal evolution is dominated by the longest time scale of the system. With this reduction, we demonstrated that FC emerges as structured linear fluctuations around a stable low firing activity state close to destabilization. Moreover, the model can be further and crucially simplified into a set of motion equations for statistical moments, providing a direct analytical link between anatomical structure, neural network dynamics, and FC. Our study suggests that FC arises from noise propagation and dynamical slowing down of fluctuations in an anatomically constrained dynamical system. Altogether, the reduction from spiking models to statistical moments presented here provides a new framework to explicitly understand the building up of FC through neuronal dynamics underpinned by anatomical connections and to drive hypotheses in task-evoked studies and for clinical applications.

Statistical model of exotic rotational correlations in emergent space-time

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

Hogan, Craig; Kwon, Ohkyung; Richardson, Jonathan

2017-06-06

A statistical model is formulated to compute exotic rotational correlations that arise as inertial frames and causal structure emerge on large scales from entangled Planck scale quantum systems. Noncommutative quantum dynamics are represented by random transverse displacements that respect causal symmetry. Entanglement is represented by covariance of these displacements in Planck scale intervals defined by future null cones of events on an observer's world line. Light that propagates in a nonradial direction inherits a projected component of the exotic rotational correlation that accumulates as a random walk in phase. A calculation of the projection and accumulation leads to exact predictionsmore » for statistical properties of exotic Planck scale correlations in an interferometer of any configuration. The cross-covariance for two nearly co-located interferometers is shown to depart only slightly from the autocovariance. Specific examples are computed for configurations that approximate realistic experiments, and show that the model can be rigorously tested.« less

Constraining shallow seismic event depth via synthetic modeling for Expert Technical Analysis at the IDC

NASA Astrophysics Data System (ADS)

Stachnik, J.; Rozhkov, M.; Baker, B.; Bobrov, D.; Friberg, P. A.

2015-12-01

Depth of event is an important criterion of seismic event screening at the International Data Center, CTBTO. However, a thorough determination of the event depth can be conducted mostly through special analysis because the IDC's Event Definition Criteria is based, in particular, on depth estimation uncertainties. This causes a large number of events in the Reviewed Event Bulletin to have depth constrained to the surface. When the true origin depth is greater than that reasonable for a nuclear test (3 km based on existing observations), this may result in a heavier workload to manually distinguish between shallow and deep events. Also, IDC depth criterion is not applicable to the events with the small t(pP-P) travel time difference, which is the case of the nuclear test. Since the shape of the first few seconds of signal of very shallow events is very sensitive to the presence of the depth phase, cross correlation between observed and theoretic seismogram can provide an estimate for the depth of the event, and so provide an expansion to the screening process. We exercised this approach mostly with events at teleseismic and partially regional distances. We found that such approach can be very efficient for the seismic event screening process, with certain caveats related mostly to the poorly defined crustal models at source and receiver which can shift the depth estimate. We used adjustable t* teleseismic attenuation model for synthetics since this characteristic is not determined for most of the rays we studied. We studied a wide set of historical records of nuclear explosions, including so called Peaceful Nuclear Explosions (PNE) with presumably known depths, and recent DPRK nuclear tests. The teleseismic synthetic approach is based on the stationary phase approximation with Robert Herrmann's hudson96 program, and the regional modelling was done with the generalized ray technique by Vlastislav Cerveny modified to the complex source topography.

Developpement de techniques numeriques pour l'estimation, la modelisation et la prediction de proprietes thermodynamiques et structurales de systems metalliques a fort ordonnancement chimique

NASA Astrophysics Data System (ADS)

Harvey, Jean-Philippe

In this work, the possibility to calculate and evaluate with a high degree of precision the Gibbs energy of complex multiphase equilibria for which chemical ordering is explicitly and simultaneously considered in the thermodynamic description of solid (short range order and long range order) and liquid (short range order) metallic phases is studied. The cluster site approximation (CSA) and the cluster variation method (CVM) are implemented in a new minimization technique of the Gibbs energy of multicomponent and multiphase systems to describe the thermodynamic behaviour of metallic solid solutions showing strong chemical ordering. The modified quasichemical model in the pair approximation (MQMPA) is also implemented in the new minimization algorithm presented in this work to describe the thermodynamic behaviour of metallic liquid solutions. The constrained minimization technique implemented in this work consists of a sequential quadratic programming technique based on an exact Newton’s method (i.e. the use of exact second derivatives in the determination of the Hessian of the objective function) combined to a line search method to identify a direction of sufficient decrease of the merit function. The implementation of a new algorithm to perform the constrained minimization of the Gibbs energy is justified by the difficulty to identify, in specific cases, the correct multiphase assemblage of a system where the thermodynamic behaviour of the equilibrium phases is described by one of the previously quoted models using the FactSage software (ex.: solid_CSA+liquid_MQMPA; solid1_CSA+solid2_CSA). After a rigorous validation of the constrained Gibbs energy minimization algorithm using several assessed binary and ternary systems found in the literature, the CVM and the CSA models used to describe the energetic behaviour of metallic solid solutions present in systems with key industrial applications such as the Cu-Zr and the Al-Zr systems are parameterized using fully consistent thermodynamic an structural data generated from a Monte Carlo (MC) simulator also implemented in the framework of this project. In this MC simulator, the modified embedded atom model in the second nearest neighbour formalism (MEAM-2NN) is used to describe the cohesive energy of each studied structure. A new Al-Zr MEAM-2NN interatomic potential needed to evaluate the cohesive energy of the condensed phases of this system is presented in this work. The thermodynamic integration (TI) method implemented in the MC simulator allows the evaluation of the absolute Gibbs energy of the considered solid or liquid structures. The original implementation of the TI method allowed us to evaluate theoretically for the first time all the thermodynamic mixing contributions (i.e., mixing enthalpy and mixing entropy contributions) of a metallic liquid (Cu-Zr and Al-Zr) and of a solid solution (face-centered cubic (FCC) Al-Zr solid solution) described by the MEAM-2NN. Thermodynamic and structural data obtained from MC and molecular dynamic simulations are then used to parameterize the CVM for the Al-Zr FCC solid solution and the MQMPA for the Al-Zr and the Cu-Zr liquid phase respectively. The extended thermodynamic study of these systems allow the introduction of a new type of configuration-dependent excess parameters in the definition of the thermodynamic function of solid solutions described by the CVM or the CSA. These parameters greatly improve the precision of these thermodynamic models based on experimental evidences found in the literature. A new parameterization approach of the MQMPA model of metallic liquid solutions is presented throughout this work. In this new approach, calculated pair fractions obtained from MC/MD simulations are taken into account as well as configuration-independent volumetric relaxation effects (regular like excess parameters) in order to parameterize precisely the Gibbs energy function of metallic melts. The generation of a complete set of fully consistent thermodynamic, physical and structural data for solid, liquid, and stoichiometric compounds and the subsequent parameterization of their respective thermodynamic model lead to the first description of the complete Al-Zr phase diagram in the range of composition [0 ≤ XZr ≤ 5 / 9] based on theoretical and fully consistent thermodynamic properties. MC and MD simulations are performed for the Al-Zr system to define for the first time the precise thermodynamic behaviour of the amorphous phase for its entire range of composition. Finally, all the thermodynamic models for the liquid phase, the FCC solid solution and the amorphous phase are used to define conditions based on thermodynamic and volumetric considerations that favor the amorphization of Al-Zr alloys.

Water Transport and the Evolution of CM Parent Bodies

NASA Technical Reports Server (NTRS)

Coker, Rob; Cohen, Barbara

2014-01-01

Meteorites have amino acids and hydrated minerals which constrain the peak temperature ranges they have experienced. CMs in particular have a narrow range (273-325K). Bulk fluid motion during hydration constrained to small scales (less than mm). Some asteroids are known to have hydrated minerals on their surfaces. It is presumed these two facts may be related. Problem: hydration only occurs (significantly) with liquid water; melting water only occurs early on in nebula (1-10 Myrs ANC); in nebula asteroid surface temperature very cold (approximately 150K). Can indigenous alteration produce CMs and/or surface hydration?

Revisiting the Phase Curves of WASP-43b: Confronting Re-analyzed Spitzer Data with Cloudy Atmospheres

NASA Astrophysics Data System (ADS)

Mendonça, João M.; Malik, Matej; Demory, Brice-Olivier; Heng, Kevin

2018-04-01

Recently acquired Hubble and Spitzer phase curves of the short-period hot Jupiter WASP-43b make it an ideal target for confronting theory with data. On the observational front, we re-analyze the 3.6 and 4.5 μm Spitzer phase curves and demonstrate that our improved analysis better removes residual red noise due to intra-pixel sensitivity, which leads to greater fluxes emanating from the nightside of WASP-43b, thus reducing the tension between theory and data. On the theoretical front, we construct cloud-free and cloudy atmospheres of WASP-43b using our Global Circulation Model (GCM), THOR, which solves the non-hydrostatic Euler equations (compared to GCMs that typically solve the hydrostatic primitive equations). The cloud-free atmosphere produces a reasonable fit to the dayside emission spectrum. The multi-phase emission spectra constrain the cloud deck to be confined to the nightside and have a finite cloud-top pressure. The multi-wavelength phase curves are naturally consistent with our cloudy atmospheres, except for the 4.5 μm phase curve, which requires the presence of enhanced carbon dioxide in the atmosphere of WASP-43b. Multi-phase emission spectra at higher spectral resolution, as may be obtained using the James Webb Space Telescope, and a reflected-light phase curve at visible wavelengths would further constrain the properties of clouds in WASP-43b.

Microstructure of Al2O3 scales formed on NiCrAl alloys. Ph.D. Thesis - Case Western Reserve Univ.

NASA Technical Reports Server (NTRS)

Smialek, J. L.

1981-01-01

The structure of transient scales formed on pure and Y or Zr-doped Ni-15Cr-13Al alloys oxidized for 0.1 hr at 1100 C was studied by the use of transmission electron microscopy. Crystallographically oriented scales were found on all three alloys, but especially for the Zr-doped NiCrAl. The oriented scales consisted of alpha-(Al,Cr)2O3, Ni(Al,Cr)2O4 and gamma-Al2O3. They were often found in intimate contact with each other such that the close-packed planes and directions of one oxide phase were aligned with those of another. The prominent structural features of the oriented scales were approximately equal to micrometer subgrains; voids, antiphase domain boundaries and aligned precipitates were also prevalent. Randomly oriented alpha-Al2O3 was also found and was the only oxide ever observed at the immediate oxide metal interface. These approximately 0.15 micrometer grains were populated by intragranular voids which decreased in size and number towards the oxide metal interface. A sequence of oxidation was proposed in which the composition of the growing scale changed from oriented oxides rich in Ni and Cr to oriented oxides rich in Al. At the same time the structure changed from cubic spinels to hexagonal corundums with apparent precipitates of one phase in the matrix of the other. Eventually randomly oriented pure alpha-Al2O3 formed as the stable oxide with an abrupt transition: there was no gradual loss of orientation, no gradual compositional change or no gradual decrease in precipitate density.

Construction and application of a new dual-hybrid random phase approximation.

PubMed

Mezei, Pál D; Csonka, Gábor I; Ruzsinszky, Adrienn; Kállay, Mihály

2015-10-13

The direct random phase approximation (dRPA) combined with Kohn-Sham reference orbitals is among the most promising tools in computational chemistry and applicable in many areas of chemistry and physics. The reason for this is that it scales as N(4) with the system size, which is a considerable advantage over the accurate ab initio wave function methods like standard coupled-cluster. dRPA also yields a considerably more accurate description of thermodynamic and electronic properties than standard density-functional theory methods. It is also able to describe strong static electron correlation effects even in large systems with a small or vanishing band gap missed by common single-reference methods. However, dRPA has several flaws due to its self-correlation error. In order to obtain accurate and precise reaction energies, barriers and noncovalent intra- and intermolecular interactions, we construct a new dual-hybrid dRPA (hybridization of exact and semilocal exchange in both the energy and the orbitals) and test the performance of this new functional on isogyric, isodesmic, hypohomodesmotic, homodesmotic, and hyperhomodesmotic reaction classes. We also use a test set of 14 Diels-Alder reactions, six atomization energies (AE6), 38 hydrocarbon atomization energies, and 100 reaction barrier heights (DBH24, HT-BH38, and NHT-BH38). For noncovalent complexes, we use the NCCE31 and S22 test sets. To test the intramolecular interactions, we use a set of alkane, cysteine, phenylalanine-glycine-glycine tripeptide, and monosaccharide conformers. We also discuss the delocalization and static correlation errors. We show that a universally accurate description of chemical properties can be provided by a large, 75% exact exchange mixing both in the calculation of the reference orbitals and the final energy.

Observations give us CLUES to Cosmic Flows' origins

NASA Astrophysics Data System (ADS)

Sorce, Jenny; Courtois, H.; Gottloeber, S.; Hoffman, Y.; Pomarede, D.; Tully, R. B.; Flows, Cosmic; CLUES

2014-01-01

In an era where the wealth of telescope-data and the development of computer superclusters keep increasing, the knowledge of Large Scale Structures' formation and evolution constitutes a tremendous challenge. Within this context the project Cosmic Flows has recently produced a catalog of peculiar velocities up to 150 Mpc. These velocities, obtained from direct distance measurements, are ideal markers of the underlying gravitational potential. They form a fantastic input to perform constrained simulations of the Local Universe within the CLUES project. A new method has recently been elaborated to achieve these simulations which prove to be excellent replicas of our neighborhood. The Wiener-Filter, the Reverse Zel'dovich Approximation and the Constrained Realization techniques are combined to build Initial Conditions. The resulting second generation of constrained simulations presents us the formidable history of the Great Attractor's and nearby supercluster's formation.

The standard mean-field treatment of inter-particle attraction in classical DFT is better than one might expect

NASA Astrophysics Data System (ADS)

Archer, Andrew J.; Chacko, Blesson; Evans, Robert

2017-07-01

In classical density functional theory (DFT), the part of the Helmholtz free energy functional arising from attractive inter-particle interactions is often treated in a mean-field or van der Waals approximation. On the face of it, this is a somewhat crude treatment as the resulting functional generates the simple random phase approximation (RPA) for the bulk fluid pair direct correlation function. We explain why using standard mean-field DFT to describe inhomogeneous fluid structure and thermodynamics is more accurate than one might expect based on this observation. By considering the pair correlation function g(x) and structure factor S(k) of a one-dimensional model fluid, for which exact results are available, we show that the mean-field DFT, employed within the test-particle procedure, yields results much superior to those from the RPA closure of the bulk Ornstein-Zernike equation. We argue that one should not judge the quality of a DFT based solely on the approximation it generates for the bulk pair direct correlation function.

Efficacy and Safety Outcomes in Patients With Advanced Melanoma Who Discontinued Treatment With Nivolumab and Ipilimumab Because of Adverse Events: A Pooled Analysis of Randomized Phase II and III Trials.

PubMed

Schadendorf, Dirk; Wolchok, Jedd D; Hodi, F Stephen; Chiarion-Sileni, Vanna; Gonzalez, Rene; Rutkowski, Piotr; Grob, Jean-Jacques; Cowey, C Lance; Lao, Christopher D; Chesney, Jason; Robert, Caroline; Grossmann, Kenneth; McDermott, David; Walker, Dana; Bhore, Rafia; Larkin, James; Postow, Michael A

2017-12-01

Purpose Approximately 40% of patients with advanced melanoma who received nivolumab combined with ipilimumab in clinical trials discontinued treatment because of adverse events (AEs). We conducted a retrospective analysis to assess the efficacy and safety of nivolumab plus ipilimumab in patients who discontinued treatment because of AEs. Methods Data were pooled from phase II and III trials of patients who received nivolumab 1 mg/kg plus ipilimumab 3 mg/kg, every 3 weeks for four doses, followed by nivolumab monotherapy 3 mg/kg every 2 weeks (N = 409). Efficacy was assessed in all randomly assigned patients who discontinued because of AEs during the induction phase (n = 96) and in those who did not discontinue because of AEs (n = 233). Safety was assessed in treated patients who discontinued because of AEs (n = 176) at any time and in those who did not discontinue because of AEs (n = 231). Results At a minimum follow-up of 18 months, median progression-free survival was 8.4 months for patients who discontinued treatment because of AEs during the induction phase and 10.8 months for patients who did not discontinue because of AEs ( P = .97). Median overall survival had not been reached in either group ( P = .23). The objective response rate was 58.3% for patients who discontinued because of AEs during the induction phase and 50.2% for patients who did not discontinue. The vast majority of grade 3 or 4 AEs occurred during the induction phase, with most resolving after appropriate management. Conclusion Efficacy outcomes seemed similar between patients who discontinued nivolumab plus ipilimumab treatment because of AEs during the induction phase and those who did not discontinue because of AEs. Therefore, even after discontinuation, many patients may continue to derive benefit from combination therapy.

Efficacy and Safety Outcomes in Patients With Advanced Melanoma Who Discontinued Treatment With Nivolumab and Ipilimumab Because of Adverse Events: A Pooled Analysis of Randomized Phase II and III Trials

PubMed Central

Schadendorf, Dirk; Wolchok, Jedd D.; Hodi, F. Stephen; Chiarion-Sileni, Vanna; Gonzalez, Rene; Rutkowski, Piotr; Grob, Jean-Jacques; Cowey, C. Lance; Lao, Christopher D.; Chesney, Jason; Robert, Caroline; Grossmann, Kenneth; McDermott, David; Walker, Dana; Bhore, Rafia; Larkin, James

2017-01-01

Purpose Approximately 40% of patients with advanced melanoma who received nivolumab combined with ipilimumab in clinical trials discontinued treatment because of adverse events (AEs). We conducted a retrospective analysis to assess the efficacy and safety of nivolumab plus ipilimumab in patients who discontinued treatment because of AEs. Methods Data were pooled from phase II and III trials of patients who received nivolumab 1 mg/kg plus ipilimumab 3 mg/kg, every 3 weeks for four doses, followed by nivolumab monotherapy 3 mg/kg every 2 weeks (N = 409). Efficacy was assessed in all randomly assigned patients who discontinued because of AEs during the induction phase (n = 96) and in those who did not discontinue because of AEs (n = 233). Safety was assessed in treated patients who discontinued because of AEs (n = 176) at any time and in those who did not discontinue because of AEs (n = 231). Results At a minimum follow-up of 18 months, median progression-free survival was 8.4 months for patients who discontinued treatment because of AEs during the induction phase and 10.8 months for patients who did not discontinue because of AEs (P = .97). Median overall survival had not been reached in either group (P = .23). The objective response rate was 58.3% for patients who discontinued because of AEs during the induction phase and 50.2% for patients who did not discontinue. The vast majority of grade 3 or 4 AEs occurred during the induction phase, with most resolving after appropriate management. Conclusion Efficacy outcomes seemed similar between patients who discontinued nivolumab plus ipilimumab treatment because of AEs during the induction phase and those who did not discontinue because of AEs. Therefore, even after discontinuation, many patients may continue to derive benefit from combination therapy. PMID:28841387

An analytical technique for approximating unsteady aerodynamics in the time domain

NASA Technical Reports Server (NTRS)

Dunn, H. J.

1980-01-01

An analytical technique is presented for approximating unsteady aerodynamic forces in the time domain. The order of elements of a matrix Pade approximation was postulated, and the resulting polynomial coefficients were determined through a combination of least squares estimates for the numerator coefficients and a constrained gradient search for the denominator coefficients which insures stable approximating functions. The number of differential equations required to represent the aerodynamic forces to a given accuracy tends to be smaller than that employed in certain existing techniques where the denominator coefficients are chosen a priori. Results are shown for an aeroelastic, cantilevered, semispan wing which indicate a good fit to the aerodynamic forces for oscillatory motion can be achieved with a matrix Pade approximation having fourth order numerator and second order denominator polynomials.

DNA unzipping phase diagram calculated via replica theory.

PubMed

Roland, C Brian; Hatch, Kristi Adamson; Prentiss, Mara; Shakhnovich, Eugene I

2009-05-01

We show how single-molecule unzipping experiments can provide strong evidence that the zero-force melting transition of long molecules of natural dsDNA should be classified as a phase transition of the higher-order type (continuous). Toward this end, we study a statistical-mechanics model for the fluctuating structure of a long molecule of dsDNA, and compute the equilibrium phase diagram for the experiment in which the molecule is unzipped under applied force. We consider a perfect-matching dsDNA model, in which the loops are volume-excluding chains with arbitrary loop exponent c . We include stacking interactions, hydrogen bonds, and main-chain entropy. We include sequence heterogeneity at the level of random sequences; in particular, there is no correlation in the base-pairing (bp) energy from one sequence position to the next. We present heuristic arguments to demonstrate that the low-temperature macrostate does not exhibit degenerate ergodicity breaking. We use this claim to understand the results of our replica-theoretic calculation of the equilibrium properties of the system. As a function of temperature, we obtain the minimal force at which the molecule separates completely. This critical-force curve is a line in the temperature-force phase diagram that marks the regions where the molecule exists primarily as a double helix versus the region where the molecule exists as two separate strands. We compare our random-sequence model to magnetic tweezer experiments performed on the 48 502 bp genome of bacteriophage lambda . We find good agreement with the experimental data, which is restricted to temperatures between 24 and 50 degrees C . At higher temperatures, the critical-force curve of our random-sequence model is very different for that of the homogeneous-sequence version of our model. For both sequence models, the critical force falls to zero at the melting temperature T_{c} like |T-T_{c}|;{alpha} . For the homogeneous-sequence model, alpha=1/2 almost exactly, while for the random-sequence model, alpha approximately 0.9 . Importantly, the shape of the critical-force curve is connected, via our theory, to the manner in which the helix fraction falls to zero at T_{c} . The helix fraction is the property that is used to classify the melting transition as a type of phase transition. In our calculation, the shape of the critical-force curve holds strong evidence that the zero-force melting transition of long natural dsDNA should be classified as a higher-order (continuous) phase transition. Specifically, the order is 3rd or greater.

On the synthesis and magnetic properties of multiwall carbon nanotube-superparamagnetic iron oxide nanoparticle nanocomposites.

PubMed

Narayanan, T N; Mary, A P Reena; Shaijumon, M M; Ci, Lijie; Ajayan, P M; Anantharaman, M R

2009-02-04

Multiwall carbon nanotubes (MWCNTs) possessing an average inner diameter of 150 nm were synthesized by template assisted chemical vapor deposition over an alumina template. Aqueous ferrofluid based on superparamagnetic iron oxide nanoparticles (SPIONs) was prepared by a controlled co-precipitation technique, and this ferrofluid was used to fill the MWCNTs by nanocapillarity. The filling of nanotubes with iron oxide nanoparticles was confirmed by electron microscopy. Selected area electron diffraction indicated the presence of iron oxide and graphitic carbon from MWCNTs. The magnetic phase transition during cooling of the MWCNT-SPION composite was investigated by low temperature magnetization studies and zero field cooled (ZFC) and field cooled experiments. The ZFC curve exhibited a blocking at approximately 110 K. A peculiar ferromagnetic ordering exhibited by the MWCNT-SPION composite above room temperature is because of the ferromagnetic interaction emanating from the clustering of superparamagnetic particles in the constrained volume of an MWCNT. This kind of MWCNT-SPION composite can be envisaged as a good agent for various biomedical applications.

Estimating the Mass of the Milky Way Using the Ensemble of Classical Satellite Galaxies

NASA Astrophysics Data System (ADS)

Patel, Ekta; Besla, Gurtina; Sohn, Sangmo Tony; Mandel, Kaisey

2018-06-01

High precision proper motions are currently available for approximately 20% of the Milky Way's known satellite galaxies. Often, the 6D phase space information of each satellite is used separately to constrain the mass of the MW. In this talk, I will discuss the Bayesian framework outlined in Patel et al. 2017b to make inferences of the MW's mass using satellite properties such as specific orbital angular momentum, rather than just position and velocity. By extending this framework from one satellite to a population of satellites, we can now form simultaneous MW mass estimates using the Illustris-Dark cosmological simulation that are unbiased by high speed satellites such as Leo I (Patel et al., submitted). Our resulting MW mass estimates reduce the current factor of two uncertainty in the mass range of the MW and show promising signs for improvement as upcoming ground- and space-based observatories obtain proper motions for additional MW satellite galaxies.

Sharp Boundary Inversion of 2D Magnetotelluric Data using Bayesian Method.

NASA Astrophysics Data System (ADS)

Zhou, S.; Huang, Q.

2017-12-01

Normally magnetotelluric(MT) inversion method cannot show the distribution of underground resistivity with clear boundary, even if there are obviously different blocks. Aiming to solve this problem, we develop a Bayesian structure to inverse 2D MT sharp boundary data, using boundary location and inside resistivity as the random variables. Firstly, we use other MT inversion results, like ModEM, to analyze the resistivity distribution roughly. Then, we select the suitable random variables and change its data format to traditional staggered grid parameters, which can be used to do finite difference forward part. Finally, we can shape the posterior probability density(PPD), which contains all the prior information and model-data correlation, by Markov Chain Monte Carlo(MCMC) sampling from prior distribution. The depth, resistivity and their uncertainty can be valued. It also works for sensibility estimation. We applied the method to a synthetic case, which composes two large abnormal blocks in a trivial background. We consider the boundary smooth and the near true model weight constrains that mimic joint inversion or constrained inversion, then we find that the model results a more precise and focused depth distribution. And we also test the inversion without constrains and find that the boundary could also be figured, though not as well. Both inversions have a good valuation of resistivity. The constrained result has a lower root mean square than ModEM inversion result. The data sensibility obtained via PPD shows that the resistivity is the most sensible, center depth comes second and both sides are the worst.

Absolute phase estimation: adaptive local denoising and global unwrapping.

PubMed

Bioucas-Dias, Jose; Katkovnik, Vladimir; Astola, Jaakko; Egiazarian, Karen

2008-10-10

The paper attacks absolute phase estimation with a two-step approach: the first step applies an adaptive local denoising scheme to the modulo-2 pi noisy phase; the second step applies a robust phase unwrapping algorithm to the denoised modulo-2 pi phase obtained in the first step. The adaptive local modulo-2 pi phase denoising is a new algorithm based on local polynomial approximations. The zero-order and the first-order approximations of the phase are calculated in sliding windows of varying size. The zero-order approximation is used for pointwise adaptive window size selection, whereas the first-order approximation is used to filter the phase in the obtained windows. For phase unwrapping, we apply the recently introduced robust (in the sense of discontinuity preserving) PUMA unwrapping algorithm [IEEE Trans. Image Process.16, 698 (2007)] to the denoised wrapped phase. Simulations give evidence that the proposed algorithm yields state-of-the-art performance, enabling strong noise attenuation while preserving image details. (c) 2008 Optical Society of America

Random phase encoding for optical security

NASA Astrophysics Data System (ADS)

Wang, RuiKang K.; Watson, Ian A.; Chatwin, Christopher R.

1996-09-01

A new optical encoding method for security applications is proposed. The encoded image (encrypted into the security products) is merely a random phase image statistically and randomly generated by a random number generator using a computer, which contains no information from the reference pattern (stored for verification) or the frequency plane filter (a phase-only function for decoding). The phase function in the frequency plane is obtained using a modified phase retrieval algorithm. The proposed method uses two phase-only functions (images) at both the input and frequency planes of the optical processor leading to maximum optical efficiency. Computer simulation shows that the proposed method is robust for optical security applications.

An iterative fullwave simulation approach to multiple scattering in media with randomly distributed microbubbles

NASA Astrophysics Data System (ADS)

Joshi, Aditya; Lindsey, Brooks D.; Dayton, Paul A.; Pinton, Gianmarco; Muller, Marie

2017-05-01

Ultrasound contrast agents (UCA), such as microbubbles, enhance the scattering properties of blood, which is otherwise hypoechoic. The multiple scattering interactions of the acoustic field with UCA are poorly understood due to the complexity of the multiple scattering theories and the nonlinear microbubble response. The majority of bubble models describe the behavior of UCA as single, isolated microbubbles suspended in infinite medium. Multiple scattering models such as the independent scattering approximation can approximate phase velocity and attenuation for low scatterer volume fractions. However, all current models and simulation approaches only describe multiple scattering and nonlinear bubble dynamics separately. Here we present an approach that combines two existing models: (1) a full-wave model that describes nonlinear propagation and scattering interactions in a heterogeneous attenuating medium and (2) a Paul-Sarkar model that describes the nonlinear interactions between an acoustic field and microbubbles. These two models were solved numerically and combined with an iterative approach. The convergence of this combined model was explored in silico for 0.5 × 106 microbubbles ml-1, 1% and 2% bubble concentration by volume. The backscattering predicted by our modeling approach was verified experimentally with water tank measurements performed with a 128-element linear array transducer. An excellent agreement in terms of the fundamental and harmonic acoustic fields is shown. Additionally, our model correctly predicts the phase velocity and attenuation measured using through transmission and predicted by the independent scattering approximation.

Four dimensional variational inversion of atmospheric chemical sources in WRFDA

NASA Astrophysics Data System (ADS)

Guerrette, J. J.

Atmospheric aerosols are known to affect health, weather, and climate, but their impacts on regional scales are uncertain due to heterogeneous source, transport, and transformation mechanisms. The Weather Research and Forecasting model with chemistry (WRF-Chem) can account for aerosol-meteorology feedbacks as it simultaneously integrates equations of dynamical and chemical processes. Here we develop and apply incremental four dimensional variational (4D-Var) data assimilation (DA) capabilities in WRF-Chem to constrain chemical emissions (WRFDA-Chem). We develop adjoint (ADM) and tangent linear (TLM) model descriptions of boundary layer mixing, emission, aging, dry deposition, and advection of black carbon (BC) aerosol. ADM and TLM model performance is verified against finite difference derivative approximations. A second order checkpointing scheme is used to reduce memory costs and enable simulations longer than six hours. We apply WRFDA-Chem to constraining anthropogenic and biomass burning sources of BC throughout California during the 2008 Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) field campaign. Manual corrections to the prior emissions and subsequent inverse modeling reduce the spread in total emitted BC mass between two biomass burning inventories from a factor of x10 to only x2 across three days of measurements. We quantify posterior emission variance using an eigendecomposition of the cost function Hessian matrix. We also address the limited scalability of 4D-Var, which traditionally uses a sequential optimization algorithm (e.g., conjugate gradient) to approximate these Hessian eigenmodes. The Randomized Incremental Optimal Technique (RIOT) uses an ensemble of TLM and ADM instances to perform a Hessian singular value decomposition. While RIOT requires more ensemble members than Lanczos requires iterations to converge to a comparable posterior control vector, the wall-time of RIOT is x10 shorter since the ensemble is executed in parallel. This work demonstrates that RIOT improves the scalability of 4D-Var for high-dimensional nonlinear problems. Overall, WRFDA-Chem and RIOT provide a framework for air quality forecasting, campaign planning, and emissions constraint that can be used to refine our understanding of the interplay between atmospheric chemistry, meteorology, climate, and human health.