DOE Office of Scientific and Technical Information (OSTI.GOV)
Ringholm, Magnus; Ruud, Kenneth; Bast, Radovan
We present the first analytic calculations of the geometrical gradients of the first hyperpolarizability tensors at the density-functional theory (DFT) level. We use the analytically calculated hyperpolarizability gradients to explore the importance of electron correlation effects, as described by DFT, on hyper-Raman spectra. In particular, we calculate the hyper-Raman spectra of the all-trans and 11-cis isomers of retinal at the Hartree-Fock (HF) and density-functional levels of theory, also allowing us to explore the sensitivity of the hyper-Raman spectra on the geometrical characteristics of these structurally related molecules. We show that the HF results, using B3LYP-calculated vibrational frequencies and force fields,more » reproduce the experimental data for all-trans-retinal well, and that electron correlation effects are of minor importance for the hyper-Raman intensities.« less
Algebro-geometric Solutions for the Derivative Burgers Hierarchy
NASA Astrophysics Data System (ADS)
Hou, Yu; Fan, Engui; Qiao, Zhijun; Wang, Zhong
2015-02-01
Though completely integrable Camassa-Holm (CH) equation and Degasperis-Procesi (DP) equation are cast in the same peakon family, they possess the second- and third-order Lax operators, respectively. From the viewpoint of algebro-geometrical study, this difference lies in hyper-elliptic and non-hyper-elliptic curves. The non-hyperelliptic curves lead to great difficulty in the construction of algebro-geometric solutions of the DP equation. In this paper, we study algebro-geometric solutions for the derivative Burgers (DB) equation, which is derived by Qiao and Li (2004) as a short wave model of the DP equation with the help of functional gradient and a pair of Lenard operators. Based on the characteristic polynomial of a Lax matrix for the DB equation, we introduce a third order algebraic curve with genus , from which the associated Baker-Akhiezer functions, meromorphic function, and Dubrovin-type equations are constructed. Furthermore, the theory of algebraic curve is applied to derive explicit representations of the theta function for the Baker-Akhiezer functions and the meromorphic function. In particular, the algebro-geometric solutions are obtained for all equations in the whole DB hierarchy.
NASA Astrophysics Data System (ADS)
Ozaki, H.
2004-01-01
Using the closed-time-path formalism, we construct perturbative frameworks, in terms of quasiparticle picture, for studying quasiuniform relativistic quantum field systems near equilibrium and non-equilibrium quasistationary systems. We employ the derivative expansion and take in up to the second-order term, i.e., one-order higher than the gradient approximation. After constructing self-energy resummed propagator, we formulated two kinds of mutually equivalent perturbative frameworks: The first one is formulated on the basis of the ``bare'' number density function, and the second one is formulated on the basis of ``physical'' number density function. In the course of construction of the second framework, the generalized Boltzmann equations directly come out, which describe the evolution of the system.
A hyper-spherical adaptive sparse-grid method for high-dimensional discontinuity detection
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Guannan; Webster, Clayton G.; Gunzburger, Max D.
This work proposes and analyzes a hyper-spherical adaptive hierarchical sparse-grid method for detecting jump discontinuities of functions in high-dimensional spaces is proposed. The method is motivated by the theoretical and computational inefficiencies of well-known adaptive sparse-grid methods for discontinuity detection. Our novel approach constructs a function representation of the discontinuity hyper-surface of an N-dimensional dis- continuous quantity of interest, by virtue of a hyper-spherical transformation. Then, a sparse-grid approximation of the transformed function is built in the hyper-spherical coordinate system, whose value at each point is estimated by solving a one-dimensional discontinuity detection problem. Due to the smoothness of themore » hyper-surface, the new technique can identify jump discontinuities with significantly reduced computational cost, compared to existing methods. Moreover, hierarchical acceleration techniques are also incorporated to further reduce the overall complexity. Rigorous error estimates and complexity analyses of the new method are provided as are several numerical examples that illustrate the effectiveness of the approach.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Constantin, Lucian A.; Fabiano, Eduardo; Della Sala, Fabio
We introduce a novel non-local ingredient for the construction of exchange density functionals: the reduced Hartree parameter, which is invariant under the uniform scaling of the density and represents the exact exchange enhancement factor for one- and two-electron systems. The reduced Hartree parameter is used together with the conventional meta-generalized gradient approximation (meta-GGA) semilocal ingredients (i.e., the electron density, its gradient, and the kinetic energy density) to construct a new generation exchange functional, termed u-meta-GGA. This u-meta-GGA functional is exact for the exchange of any one- and two-electron systems, is size-consistent and non-empirical, satisfies the uniform density scaling relation, andmore » recovers the modified gradient expansion derived from the semiclassical atom theory. For atoms, ions, jellium spheres, and molecules, it shows a good accuracy, being often better than meta-GGA exchange functionals. Our construction validates the use of the reduced Hartree ingredient in exchange-correlation functional development, opening the way to an additional rung in the Jacob’s ladder classification of non-empirical density functionals.« less
Double-hybrid density-functional theory with meta-generalized-gradient approximations
DOE Office of Scientific and Technical Information (OSTI.GOV)
Souvi, Sidi M. O., E-mail: sidi.souvi@irsn.fr; Sharkas, Kamal; Toulouse, Julien, E-mail: julien.toulouse@upmc.fr
2014-02-28
We extend the previously proposed one-parameter double-hybrid density-functional theory [K. Sharkas, J. Toulouse, and A. Savin, J. Chem. Phys. 134, 064113 (2011)] to meta-generalized-gradient-approximation (meta-GGA) exchange-correlation density functionals. We construct several variants of one-parameter double-hybrid approximations using the Tao-Perdew-Staroverov-Scuseria (TPSS) meta-GGA functional and test them on test sets of atomization energies and reaction barrier heights. The most accurate variant uses the uniform coordinate scaling of the density and of the kinetic energy density in the correlation functional, and improves over both standard Kohn-Sham TPSS and second-order Møller-Plesset calculations.
NASA Astrophysics Data System (ADS)
de Silva, Piotr; Corminboeuf, Clémence
2015-09-01
We construct an orbital-free non-empirical meta-generalized gradient approximation (GGA) functional, which depends explicitly on density through the density overlap regions indicator [P. de Silva and C. Corminboeuf, J. Chem. Theory Comput. 10, 3745 (2014)]. The functional does not depend on either the kinetic energy density or the density Laplacian; therefore, it opens a new class of meta-GGA functionals. By construction, our meta-GGA yields exact exchange and correlation energy for the hydrogen atom and recovers the second order gradient expansion for exchange in the slowly varying limit. We show that for molecular systems, overall performance is better than non-empirical GGAs. For atomization energies, performance is on par with revTPSS, without any dependence on Kohn-Sham orbitals.
ERIC Educational Resources Information Center
Wall, C. Edward; And Others
1995-01-01
Discusses the integration of Standard General Markup Language, Hypertext Markup Language, and MARC format to parse classified analytical bibliographies. Use of the resulting electronic knowledge constructs in local library systems as maps of a specified subset of resources is discussed, and an example is included. (LRW)
Jana, Subrata; Samal, Prasanjit
2017-06-29
Semilocal density functionals for the exchange-correlation energy of electrons are extensively used as they produce realistic and accurate results for finite and extended systems. The choice of techniques plays a crucial role in constructing such functionals of improved accuracy and efficiency. An accurate and efficient semilocal exchange energy functional in two dimensions is constructed by making use of the corresponding hole which is derived based on the density matrix expansion. The exchange hole involved is localized under the generalized coordinate transformation and satisfies all the relevant constraints. Comprehensive testing and excellent performance of the functional is demonstrated versus exact exchange results. The accuracy of results obtained by using the newly constructed functional is quite remarkable as it substantially reduces the errors present in the local and nonempirical exchange functionals proposed so far for two-dimensional quantum systems. The underlying principles involved in the functional construction are physically appealing and hold promise for developing range separated and nonlocal exchange functionals in two dimensions.
Theoretical studies of surface enhanced hyper-Raman spectroscopy: The chemical enhancement mechanism
NASA Astrophysics Data System (ADS)
Valley, Nicholas; Jensen, Lasse; Autschbach, Jochen; Schatz, George C.
2010-08-01
Hyper-Raman spectra for pyridine and pyridine on the surface of a tetrahedral 20 silver atom cluster are calculated using static hyperpolarizability derivatives obtained from time dependent density functional theory. The stability of the results with respect to choice of exchange-correlation functional and basis set is verified by comparison with experiment and with Raman spectra calculated for the same systems using the same methods. Calculated Raman spectra were found to match well with experiment and previous theoretical calculations. The calculated normal and surface enhanced hyper-Raman spectra closely match experimental results. The chemical enhancement factors for hyper-Raman are generally larger than for Raman (102-104 versus 101-102). Integrated hyper-Raman chemical enhancement factors are presented for a set of substituted pyridines. A two-state model is developed to predict these chemical enhancement factors and this was found to work well for the majority of the molecules considered, providing a rationalization for the difference between hyper-Raman and Raman enhancement factors.
Symmetries of hyper-Kähler (or Poisson gauge field) hierarchy
NASA Astrophysics Data System (ADS)
Takasaki, K.
1990-08-01
Symmetry properties of the space of complex (or formal) hyper-Kähler metrics are studied in the language of hyper-Kähler hierarchies. The construction of finite symmetries is analogous to the theory of Riemann-Hilbert transformations, loop group elements now taking values in a (pseudo-) group of canonical transformations of a simplectic manifold. In spite of their highly nonlinear and involved nature, infinitesimal expressions of these symmetries are shown to have a rather simple form. These infinitesimal transformations are extended to the Plebanski key functions to give rise to a nonlinear realization of a Poisson loop algebra. The Poisson algebra structure turns out to originate in a contact structure behind a set of symplectic structures inherent in the hyper-Kähler hierarchy. Possible relations to membrane theory are briefly discussed.
Gauge and integrable theories in loop spaces
NASA Astrophysics Data System (ADS)
Ferreira, L. A.; Luchini, G.
2012-05-01
We propose an integral formulation of the equations of motion of a large class of field theories which leads in a quite natural and direct way to the construction of conservation laws. The approach is based on generalized non-abelian Stokes theorems for p-form connections, and its appropriate mathematical language is that of loop spaces. The equations of motion are written as the equality of a hyper-volume ordered integral to a hyper-surface ordered integral on the border of that hyper-volume. The approach applies to integrable field theories in (1+1) dimensions, Chern-Simons theories in (2+1) dimensions, and non-abelian gauge theories in (2+1) and (3+1) dimensions. The results presented in this paper are relevant for the understanding of global properties of those theories. As a special byproduct we solve a long standing problem in (3+1)-dimensional Yang-Mills theory, namely the construction of conserved charges, valid for any solution, which are invariant under arbitrary gauge transformations.
Dynamical behaviors determined by the Lyapunov function in competitive Lotka-Volterra systems.
Tang, Ying; Yuan, Ruoshi; Ma, Yian
2013-01-01
Dynamical behaviors of the competitive Lotka-Volterra system even for 3 species are not fully understood. In this paper, we study this problem from the perspective of the Lyapunov function. We construct explicitly the Lyapunov function using three examples of the competitive Lotka-Volterra system for the whole state space: (1) the general 2-species case, (2) a 3-species model, and (3) the model of May-Leonard. The basins of attraction for these examples are demonstrated, including cases with bistability and cyclical behavior. The first two examples are the generalized gradient system, where the energy dissipation may not follow the gradient of the Lyapunov function. In addition, under a new type of stochastic interpretation, the Lyapunov function also leads to the Boltzmann-Gibbs distribution on the final steady state when multiplicative noise is added.
Dynamical behaviors determined by the Lyapunov function in competitive Lotka-Volterra systems
NASA Astrophysics Data System (ADS)
Tang, Ying; Yuan, Ruoshi; Ma, Yian
2013-01-01
Dynamical behaviors of the competitive Lotka-Volterra system even for 3 species are not fully understood. In this paper, we study this problem from the perspective of the Lyapunov function. We construct explicitly the Lyapunov function using three examples of the competitive Lotka-Volterra system for the whole state space: (1) the general 2-species case, (2) a 3-species model, and (3) the model of May-Leonard. The basins of attraction for these examples are demonstrated, including cases with bistability and cyclical behavior. The first two examples are the generalized gradient system, where the energy dissipation may not follow the gradient of the Lyapunov function. In addition, under a new type of stochastic interpretation, the Lyapunov function also leads to the Boltzmann-Gibbs distribution on the final steady state when multiplicative noise is added.
Discontinuous gradient differential equations and trajectories in the calculus of variations
NASA Astrophysics Data System (ADS)
Bogaevskii, I. A.
2006-12-01
The concept of gradient of smooth functions is generalized for their sums with concave functions. An existence, uniqueness, and continuous dependence theorem for increasing time is formulated and proved for solutions of an ordinary differential equation the right-hand side of which is the gradient of the sum of a concave and a smooth function. With the use of this result a physically natural motion of particles, well defined even at discontinuities of the velocity field, is constructed in the variational problem of the minimal mechanical action in a space of arbitrary dimension. For such a motion of particles in the plane all typical cases of the birth and the interaction of point clusters of positive mass are described.
Untangling the fungal niche: the trait-based approach.
Crowther, Thomas W; Maynard, Daniel S; Crowther, Terence R; Peccia, Jordan; Smith, Jeffrey R; Bradford, Mark A
2014-01-01
Fungi are prominent components of most terrestrial ecosystems, both in terms of biomass and ecosystem functioning, but the hyper-diverse nature of most communities has obscured the search for unifying principles governing community organization. In particular, unlike plants and animals, observational studies provide little evidence for the existence of niche processes in structuring fungal communities at broad spatial scales. This limits our capacity to predict how communities, and their functioning, vary across landscapes. We outline how a shift in focus, from taxonomy toward functional traits, might prove to be valuable in the search for general patterns in fungal ecology. We build on theoretical advances in plant and animal ecology to provide an empirical framework for a trait-based approach in fungal community ecology. Drawing upon specific characteristics of the fungal system, we highlight the significance of drought stress and combat in structuring free-living fungal communities. We propose a conceptual model to formalize how trade-offs between stress-tolerance and combative dominance are likely to organize communities across environmental gradients. Given that the survival of a fungus in a given environment is contingent on its ability to tolerate antagonistic competitors, measuring variation in combat trait expression along environmental gradients provides a means of elucidating realized, from fundamental niche spaces. We conclude that, using a trait-based understanding of how niche processes structure fungal communities across time and space, we can ultimately link communities with ecosystem functioning. Our trait-based framework highlights fundamental uncertainties that require testing in the fungal system, given their potential to uncover general mechanisms in fungal ecology.
Hyper-Fit: Fitting Linear Models to Multidimensional Data with Multivariate Gaussian Uncertainties
NASA Astrophysics Data System (ADS)
Robotham, A. S. G.; Obreschkow, D.
2015-09-01
Astronomical data is often uncertain with errors that are heteroscedastic (different for each data point) and covariant between different dimensions. Assuming that a set of D-dimensional data points can be described by a (D - 1)-dimensional plane with intrinsic scatter, we derive the general likelihood function to be maximised to recover the best fitting model. Alongside the mathematical description, we also release the hyper-fit package for the R statistical language (http://github.com/asgr/hyper.fit) and a user-friendly web interface for online fitting (http://hyperfit.icrar.org). The hyper-fit package offers access to a large number of fitting routines, includes visualisation tools, and is fully documented in an extensive user manual. Most of the hyper-fit functionality is accessible via the web interface. In this paper, we include applications to toy examples and to real astronomical data from the literature: the mass-size, Tully-Fisher, Fundamental Plane, and mass-spin-morphology relations. In most cases, the hyper-fit solutions are in good agreement with published values, but uncover more information regarding the fitted model.
Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units
Song, Chenchen; Martinez, Todd J.
2017-08-29
Analytic energy gradients for tensor hyper-contraction (THC) are derived and implemented for second-order Møller-Plesset perturbation theory (MP2), with and without the scaled-opposite-spin (SOS)-MP2 approximation. By exploiting the THC factorization, the formal scaling of MP2 and SOS-MP2 gradient calculations with respect to system size is reduced to quartic and cubic, respectively. An efficient implementation has been developed that utilizes both graphics processing units and sparse tensor techniques exploiting spatial sparsity of the atomic orbitals. THC-MP2 has been applied to both geometry optimization and ab initio molecular dynamics (AIMD) simulations. Furthermore, the resulting energy conservation in micro-canonical AIMD demonstrates that the implementationmore » provides accurate nuclear gradients with respect to the THC-MP2 potential energy surfaces.« less
Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units
NASA Astrophysics Data System (ADS)
Song, Chenchen; Martínez, Todd J.
2017-10-01
Analytic energy gradients for tensor hyper-contraction (THC) are derived and implemented for second-order Møller-Plesset perturbation theory (MP2), with and without the scaled-opposite-spin (SOS)-MP2 approximation. By exploiting the THC factorization, the formal scaling of MP2 and SOS-MP2 gradient calculations with respect to system size is reduced to quartic and cubic, respectively. An efficient implementation has been developed that utilizes both graphics processing units and sparse tensor techniques exploiting spatial sparsity of the atomic orbitals. THC-MP2 has been applied to both geometry optimization and ab initio molecular dynamics (AIMD) simulations. The resulting energy conservation in micro-canonical AIMD demonstrates that the implementation provides accurate nuclear gradients with respect to the THC-MP2 potential energy surfaces.
Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units
DOE Office of Scientific and Technical Information (OSTI.GOV)
Song, Chenchen; Martinez, Todd J.
Analytic energy gradients for tensor hyper-contraction (THC) are derived and implemented for second-order Møller-Plesset perturbation theory (MP2), with and without the scaled-opposite-spin (SOS)-MP2 approximation. By exploiting the THC factorization, the formal scaling of MP2 and SOS-MP2 gradient calculations with respect to system size is reduced to quartic and cubic, respectively. An efficient implementation has been developed that utilizes both graphics processing units and sparse tensor techniques exploiting spatial sparsity of the atomic orbitals. THC-MP2 has been applied to both geometry optimization and ab initio molecular dynamics (AIMD) simulations. Furthermore, the resulting energy conservation in micro-canonical AIMD demonstrates that the implementationmore » provides accurate nuclear gradients with respect to the THC-MP2 potential energy surfaces.« less
Policy Gradient Adaptive Dynamic Programming for Data-Based Optimal Control.
Luo, Biao; Liu, Derong; Wu, Huai-Ning; Wang, Ding; Lewis, Frank L
2017-10-01
The model-free optimal control problem of general discrete-time nonlinear systems is considered in this paper, and a data-based policy gradient adaptive dynamic programming (PGADP) algorithm is developed to design an adaptive optimal controller method. By using offline and online data rather than the mathematical system model, the PGADP algorithm improves control policy with a gradient descent scheme. The convergence of the PGADP algorithm is proved by demonstrating that the constructed Q -function sequence converges to the optimal Q -function. Based on the PGADP algorithm, the adaptive control method is developed with an actor-critic structure and the method of weighted residuals. Its convergence properties are analyzed, where the approximate Q -function converges to its optimum. Computer simulation results demonstrate the effectiveness of the PGADP-based adaptive control method.
NASA Technical Reports Server (NTRS)
Hill, R. W.
1994-01-01
The integration of CLIPS into HyperCard combines the intuitive, interactive user interface of the Macintosh with the powerful symbolic computation of an expert system interpreter. HyperCard is an excellent environment for quickly developing the front end of an application with buttons, dialogs, and pictures, while the CLIPS interpreter provides a powerful inference engine for complex problem solving and analysis. In order to understand the benefit of integrating HyperCard and CLIPS, consider the following: HyperCard is an information storage and retrieval system which exploits the use of the graphics and user interface capabilities of the Apple Macintosh computer. The user can easily define buttons, dialog boxes, information templates, pictures, and graphic displays through the use of the HyperCard tools and scripting language. What is generally lacking in this environment is a powerful reasoning engine for complex problem solving, and this is where CLIPS plays a role. CLIPS 5.0 (C Language Integrated Production System, v5.0) was developed at the Johnson Space Center Software Technology Branch to allow artificial intelligence research, development, and delivery on conventional computers. CLIPS 5.0 supports forward chaining rule systems, object-oriented language, and procedural programming for the construction of expert systems. It features incremental reset, seven conflict resolution stategies, truth maintenance, and user-defined external functions. Since CLIPS is implemented in the C language it is highly portable; in addition, it is embeddable as a callable routine from a program written in another language such as Ada or Fortran. By integrating HyperCard and CLIPS the advantages and uses of both packages are made available for a wide range of applications: rapid prototyping of knowledge-based expert systems, interactive simulations of physical systems and intelligent control of hypertext processes, to name a few. HyperCLIPS 2.0 is written in C-Language (54%) and Pascal (46%) for Apple Macintosh computers running Macintosh System 6.0.2 or greater. HyperCLIPS requires HyperCard 1.2 or higher and at least 2Mb of RAM are recommended to run. An executable is provided. To compile the source code, the Macintosh Programmer's Workshop (MPW) version 3.0, CLIPS 5.0 (MSC-21927), and the MPW C-Language compiler are also required. NOTE: Installing this program under Macintosh System 7 requires HyperCard v2.1. This program is distributed on a 3.5 inch Macintosh format diskette. A copy of the program documentation is included on the diskette, but may be purchased separately. HyperCLIPS was developed in 1990 and version 2.0 was released in 1991. HyperCLIPS is a copyrighted work with all copyright vested in NASA. Apple, Macintosh, MPW, and HyperCard are registered trademarks of Apple Computer, Inc.
The multifacet graphically contracted function method. I. Formulation and implementation
NASA Astrophysics Data System (ADS)
Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R.
2014-08-01
The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N2n4) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.
The multifacet graphically contracted function method. I. Formulation and implementation.
Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R
2014-08-14
The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N(2)n(4)) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.
ERIC Educational Resources Information Center
Johnson-Leslie, Natalie A.
2009-01-01
In teacher education, electronic portfolios provide an authentic form of assessment documenting students' personal and professional growth. Using the engineered-based system, College LiveText, and an off-the-shelf general tool, HyperStudio, pre-service teachers constructed e-portfolios as part of their teacher preparation requirements. This case…
Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions.
Karasiev, Valentin V; Dufty, James W; Trickey, S B
2018-02-16
Realizing the potential for predictive density functional calculations of matter under extreme conditions depends crucially upon having an exchange-correlation (XC) free-energy functional accurate over a wide range of state conditions. Unlike the ground-state case, no such functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free-energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Its accuracy in the warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated T. Pressure shifts for hot electrons in compressed static fcc Al and for low-density Al demonstrate the combined magnitude of thermal and gradient effects handled well by this functional over a wide T range.
Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions
NASA Astrophysics Data System (ADS)
Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.
2018-02-01
Realizing the potential for predictive density functional calculations of matter under extreme conditions depends crucially upon having an exchange-correlation (X C ) free-energy functional accurate over a wide range of state conditions. Unlike the ground-state case, no such functional exists. We remedy that with systematic construction of a generalized gradient approximation X C free-energy functional based on rigorous constraints, including the free-energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T , high-T , and homogeneous electron gas limits. Its accuracy in the warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated T . Pressure shifts for hot electrons in compressed static fcc Al and for low-density Al demonstrate the combined magnitude of thermal and gradient effects handled well by this functional over a wide T range.
A projection gradient method for computing ground state of spin-2 Bose–Einstein condensates
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wang, Hanquan, E-mail: hanquan.wang@gmail.com; Yunnan Tongchang Scientific Computing and Data Mining Research Center, Kunming, Yunnan Province, 650221
In this paper, a projection gradient method is presented for computing ground state of spin-2 Bose–Einstein condensates (BEC). We first propose the general projection gradient method for solving energy functional minimization problem under multiple constraints, in which the energy functional takes real functions as independent variables. We next extend the method to solve a similar problem, where the energy functional now takes complex functions as independent variables. We finally employ the method into finding the ground state of spin-2 BEC. The key of our method is: by constructing continuous gradient flows (CGFs), the ground state of spin-2 BEC can bemore » computed as the steady state solution of such CGFs. We discretized the CGFs by a conservative finite difference method along with a proper way to deal with the nonlinear terms. We show that the numerical discretization is normalization and magnetization conservative and energy diminishing. Numerical results of the ground state and their energy of spin-2 BEC are reported to demonstrate the effectiveness of the numerical method.« less
Bayesian `hyper-parameters' approach to joint estimation: the Hubble constant from CMB measurements
NASA Astrophysics Data System (ADS)
Lahav, O.; Bridle, S. L.; Hobson, M. P.; Lasenby, A. N.; Sodré, L.
2000-07-01
Recently several studies have jointly analysed data from different cosmological probes with the motivation of estimating cosmological parameters. Here we generalize this procedure to allow freedom in the relative weights of various probes. This is done by including in the joint χ2 function a set of `hyper-parameters', which are dealt with using Bayesian considerations. The resulting algorithm, which assumes uniform priors on the log of the hyper-parameters, is very simple: instead of minimizing \\sum \\chi_j2 (where \\chi_j2 is per data set j) we propose to minimize \\sum Nj (\\chi_j2) (where Nj is the number of data points per data set j). We illustrate the method by estimating the Hubble constant H0 from different sets of recent cosmic microwave background (CMB) experiments (including Saskatoon, Python V, MSAM1, TOCO and Boomerang). The approach can be generalized for combinations of cosmic probes, and for other priors on the hyper-parameters.
NASA Astrophysics Data System (ADS)
Huang, Song; Leauthaud, Alexie; Greene, Jenny E.; Bundy, Kevin; Lin, Yen-Ting; Tanaka, Masayuki; Miyazaki, Satoshi; Komiyama, Yutaka
2018-04-01
Massive galaxies display extended light profiles that can reach several hundreds of kiloparsecs. We use data from the Hyper Suprime-Cam (HSC) survey that is simultaneously wide (˜100 deg2) and deep (>28.5 mag arcsec-2 in i band) to study the stellar haloes of a sample of ˜7000 massive galaxies at z ˜ 0.4. The depth of the HSC data enables us to measure surface mass density profiles to 100 kpc for individual galaxies without stacking. As in previous work, we find that more massive galaxies exhibit more extended outer profiles than smaller galaxies. When this extended light is not properly accounted for (because of shallow imaging and/or inadequate profile modelling), the derived stellar mass function can be significantly underestimated at the high-mass end. Across our sample, the ellipticity of outer light profile increases substantially with radius. We show for the first time that these ellipticity gradients steepen dramatically as a function of galaxy mass, but we detect no mass dependence in outer colour gradients. Our results support the two-phase formation scenario for massive galaxies in which outer envelopes are built up at a later time from a series of merging events. We provide surface mass density profiles in a convenient tabulated format to facilitate comparisons with predictions from numerical simulations of galaxy formation.
The multifacet graphically contracted function method. I. Formulation and implementation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Shepard, Ron; Brozell, Scott R.; Gidofalvi, Gergely
2014-08-14
The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that bothmore » the energy and the gradient computation scale as O(N{sup 2}n{sup 4}) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N{sub 2} dissociation, cubic H{sub 8} dissociation, the symmetric dissociation of H{sub 2}O, and the insertion of Be into H{sub 2}. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.« less
Engineering Pre-vascularized Scaffolds for Bone Regeneration.
Barabaschi, Giada D G; Manoharan, Vijayan; Li, Qing; Bertassoni, Luiz E
2015-01-01
Survival of functional tissue constructs of clinically relevant size depends on the formation of an organized and uniformly distributed network of blood vessels and capillaries. The lack of such vasculature leads to spatio-temporal gradients in oxygen, nutrients and accumulation of waste products inside engineered tissue constructs resulting in negative biological events at the core of the scaffold. Unavailability of a well-defined vasculature also results in ineffective integration of scaffolds to the host vasculature upon implantation. Arguably, one of the greatest challenges in engineering clinically relevant bone substitutes, therefore, has been the development of vascularized bone scaffolds. Various approaches ranging from peptide and growth factor functionalized biomaterials to hyper-porous scaffolds have been proposed to address this problem with reasonable success. An emerging alternative to address this challenge has been the fabrication of pre-vascularized scaffolds by taking advantage of biomanufacturing techniques, such as soft- and photo-lithography or 3D bioprinting, and cell-based approaches, where functional capillaries are engineered in cell-laden scaffolds prior to implantation. These strategies seek to engineer pre-vascularized tissues in vitro, allowing for improved anastomosis with the host vasculature upon implantation, while also improving cell viability and tissue development in vitro. This book chapter provides an overview of recent methods to engineer pre-vascularized scaffolds for bone regeneration. We first review the development of functional blood capillaries in bony structures and discuss controlled delivery of growth factors, co-culture systems, and on-chip studies to engineer vascularized cell-laden biomaterials. Lastly, we review recent studies using microfabrication techniques and 3D printing to engineer pre-vascularized scaffolds for bone tissue engineering.
Advanced Materials by Atom Transfer Radical Polymerization.
Matyjaszewski, Krzysztof
2018-06-01
Atom transfer radical polymerization (ATRP) has been successfully employed for the preparation of various advanced materials with controlled architecture. New catalysts with strongly enhanced activity permit more environmentally benign ATRP procedures using ppm levels of catalyst. Precise control over polymer composition, topology, and incorporation of site specific functionality enables synthesis of well-defined gradient, block, comb copolymers, polymers with (hyper)branched structures including stars, densely grafted molecular brushes or networks, as well as inorganic-organic hybrid materials and bioconjugates. Examples of specific applications of functional materials include thermoplastic elastomers, nanostructured carbons, surfactants, dispersants, functionalized surfaces, and biorelated materials. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Time-Chunking and Hyper-Refocusing in a Digitally-Enabled Workplace: Six Forms of Knowledge Workers
Gaskin, James E.; Skousen, Tanner
2016-01-01
Until the turn of the millennium, switching tasks required moving locations or reconfiguring physical workspaces. However, contemporary digital tools and workspaces allow knowledge workers to perform an increasingly diverse set of tasks, with an increasingly extending arm of influence, all from the same physical location without any physical reconfigurations or traversing of physical space. Along with this increased ambidexterity comes an increase in the quantity and frequency of demands on the time of knowledge workers. This digitalization of work now tethers their ability to perform largely to their ability to intensely focus in small chunks, and then “hyper-jump” that focus to another task without traversing the cognitive cool downs or warm ups required to reconfigure their train of thought from one task to another. Accordingly, they must become more like the hyper-functioning tools they employ if they are to avoid becoming the bottleneck resource in the configuration of socio-technical elements comprising their work routines. In order to better understand how knowledge workers manage their time and maintain focus across multiple and interrupting tasks, we leverage current time prioritization literature to propose and theorize around two key constructs: time-chunking and hyper-refocusing. By combining the possible values for these two constructs, we hypothesize the emergence of six forms of knowledge workers and their relative expected performance. The effects of digitalization on these new worker forms are discussed. We conclude by discussing opportunities for new research questions regarding time-chunking strategies and the hyper-refocusing ability. PMID:27822193
Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions
Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.
2018-02-14
The potential for density functional calculations to predict the properties of matter under extreme conditions depends crucially upon having a non-empirical approximate free energy functional valid over a wide range of state conditions. Unlike the ground-state case, no such free-energy exchange- correlation (XC) functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Application in Kohn-Sham calculations for hot electrons inmore » a static fcc Aluminum lattice demon- strates the combined magnitude of thermal and gradient effects handled by this functional. Its accuracy in the increasingly important warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated temperatures and by low density Al calculations over a wide T range.« less
Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.
The potential for density functional calculations to predict the properties of matter under extreme conditions depends crucially upon having a non-empirical approximate free energy functional valid over a wide range of state conditions. Unlike the ground-state case, no such free-energy exchange- correlation (XC) functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Application in Kohn-Sham calculations for hot electrons inmore » a static fcc Aluminum lattice demon- strates the combined magnitude of thermal and gradient effects handled by this functional. Its accuracy in the increasingly important warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated temperatures and by low density Al calculations over a wide T range.« less
Quantized vortices and superflow in arbitrary dimensions: structure, energetics and dynamics
NASA Astrophysics Data System (ADS)
Goldbart, Paul M.; Bora, Florin
2009-05-01
The structure and energetics of superflow around quantized vortices, and the motion inherited by these vortices from this superflow, are explored in the general setting of a superfluid in arbitrary dimensions. The vortices may be idealized as objects of codimension 2, such as one-dimensional loops and two-dimensional closed surfaces, respectively, in the cases of three- and four-dimensional superfluidity. By using the analogy between the vortical superflow and Ampère-Maxwell magnetostatics, the equilibrium superflow containing any specified collection of vortices is constructed. The energy of the superflow is found to take on a simple form for vortices that are smooth and asymptotically large, compared with the vortex core size. The motion of vortices is analyzed in general, as well as for the special cases of hyper-spherical and weakly distorted hyper-planar vortices. In all dimensions, vortex motion reflects vortex geometry. In dimension 4 and higher, this includes not only extrinsic but also intrinsic aspects of the vortex shape, which enter via the first and second fundamental forms of classical geometry. For hyper-spherical vortices, which generalize the vortex rings of three-dimensional superfluidity, the energy-momentum relation is determined. Simple scaling arguments recover the essential features of these results, up to numerical and logarithmic factors.
XML: A Language To Manage the World Wide Web. ERIC Digest.
ERIC Educational Resources Information Center
Davis-Tanous, Jennifer R.
This digest provides an overview of XML (Extensible Markup Language), a markup language used to construct World Wide Web pages. Topics addressed include: (1) definition of a markup language, including comparison of XML with SGML (Standard Generalized Markup Language) and HTML (HyperText Markup Language); (2) how XML works, including sample tags,…
Patra, Abhilash; Jana, Subrata; Samal, Prasanjit
2018-04-07
The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.
NASA Astrophysics Data System (ADS)
Patra, Abhilash; Jana, Subrata; Samal, Prasanjit
2018-04-01
The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.
Semiclassical neutral atom as a reference system in density functional theory.
Constantin, Lucian A; Fabiano, E; Laricchia, S; Della Sala, F
2011-05-06
We use the asymptotic expansions of the semiclassical neutral atom as a reference system in density functional theory to construct accurate generalized gradient approximations (GGAs) for the exchange-correlation and kinetic energies without any empiricism. These asymptotic functionals are among the most accurate GGAs for molecular systems, perform well for solid state, and overcome current GGA state of the art in frozen density embedding calculations. Our results also provide evidence for the conjointness conjecture between exchange and kinetic energies of atomic systems.
Quantized vortices in arbitrary dimensions and the normal-to-superfluid phase transition
NASA Astrophysics Data System (ADS)
Bora, Florin
The structure and energetics of superflow around quantized vortices, and the motion inherited by these vortices from this superflow, are explored in the general setting of a superfluid in arbitrary dimensions. The vortices may be idealized as objects of co-dimension two, such as one-dimensional loops and two-dimensional closed surfaces, respectively, in the cases of three- and four-dimensional superfluidity. By using the analogy between vortical superflow and Ampere-Maxwell magnetostatics, the equilibrium superflow containing any specified collection of vortices is constructed. The energy of the superflow is found to take on a simple form for vortices that are smooth and asymptotically large, compared with the vortex core size. The motion of vortices is analyzed in general, as well as for the special cases of hyper-spherical and weakly distorted hyper-planar vortices. In all dimensions, vortex motion reflects vortex geometry. In dimension four and higher, this includes not only extrinsic but also intrinsic aspects of the vortex shape, which enter via the first and second fundamental forms of classical geometry. For hyper-spherical vortices, which generalize the vortex rings of three dimensional superfluidity, the energy-momentum relation is determined. Simple scaling arguments recover the essential features of these results, up to numerical and logarithmic factors. Extending these results to systems containing multiple vortices is elementary due to the linearity of the theory. The energy for multiple vortices is thus a sum of self-energies and power-law interaction terms. The statistical mechanics of a system containing vortices is addressed via the grand canonical partition function. A renormalization-group analysis in which the low energy excitations are integrated approximately, is used to compute certain critical coefficients. The exponents obtained via this approximate procedure are compared with values obtained previously by other means. For dimensions higher than three the superfluid density is found to vanish as the critical temperature is approached from below.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Schmidtlein, CR; Beattie, B; Humm, J
2014-06-15
Purpose: To investigate the performance of a new penalized-likelihood PET image reconstruction algorithm using the 1{sub 1}-norm total-variation (TV) sum of the 1st through 4th-order gradients as the penalty. Simulated and brain patient data sets were analyzed. Methods: This work represents an extension of the preconditioned alternating projection algorithm (PAPA) for emission-computed tomography. In this new generalized algorithm (GPAPA), the penalty term is expanded to allow multiple components, in this case the sum of the 1st to 4th order gradients, to reduce artificial piece-wise constant regions (“staircase” artifacts typical for TV) seen in PAPA images penalized with only the 1stmore » order gradient. Simulated data were used to test for “staircase” artifacts and to optimize the penalty hyper-parameter in the root-mean-squared error (RMSE) sense. Patient FDG brain scans were acquired on a GE D690 PET/CT (370 MBq at 1-hour post-injection for 10 minutes) in time-of-flight mode and in all cases were reconstructed using resolution recovery projectors. GPAPA images were compared PAPA and RMSE-optimally filtered OSEM (fully converged) in simulations and to clinical OSEM reconstructions (3 iterations, 32 subsets) with 2.6 mm XYGaussian and standard 3-point axial smoothing post-filters. Results: The results from the simulated data show a significant reduction in the 'staircase' artifact for GPAPA compared to PAPA and lower RMSE (up to 35%) compared to optimally filtered OSEM. A simple power-law relationship between the RMSE-optimal hyper-parameters and the noise equivalent counts (NEC) per voxel is revealed. Qualitatively, the patient images appear much sharper and with less noise than standard clinical images. The convergence rate is similar to OSEM. Conclusions: GPAPA reconstructions using the 1{sub 1}-norm total-variation sum of the 1st through 4th-order gradients as the penalty show great promise for the improvement of image quality over that currently achieved with clinical OSEM reconstructions.« less
Ashrafi, Parivash; Sun, Yi; Davey, Neil; Adams, Roderick G; Wilkinson, Simon C; Moss, Gary Patrick
2018-03-01
The aim of this study was to investigate how to improve predictions from Gaussian Process models by optimising the model hyperparameters. Optimisation methods, including Grid Search, Conjugate Gradient, Random Search, Evolutionary Algorithm and Hyper-prior, were evaluated and applied to previously published data. Data sets were also altered in a structured manner to reduce their size, which retained the range, or 'chemical space' of the key descriptors to assess the effect of the data range on model quality. The Hyper-prior Smoothbox kernel results in the best models for the majority of data sets, and they exhibited significantly better performance than benchmark quantitative structure-permeability relationship (QSPR) models. When the data sets were systematically reduced in size, the different optimisation methods generally retained their statistical quality, whereas benchmark QSPR models performed poorly. The design of the data set, and possibly also the approach to validation of the model, is critical in the development of improved models. The size of the data set, if carefully controlled, was not generally a significant factor for these models and that models of excellent statistical quality could be produced from substantially smaller data sets. © 2018 Royal Pharmaceutical Society.
Constantin, Lucian A; Fabiano, Eduardo; Della Sala, Fabio
2017-09-12
Using the semiclassical neutral atom theory, we developed a modified fourth-order kinetic energy (KE) gradient expansion (GE4m) that keeps unchanged all the linear-response terms of the uniform electron gas and gives a significant improvement with respect to the known semilocal functionals for both large atoms and jellium surfaces. On the other hand, GE4m is not accurate for light atoms; thus, we modified the GE4m coefficients making them dependent on a novel ingredient, the reduced Hartree potential, recently introduced in the Journal of Chemical Physics 2016, 145, 084110, in the context of exchange functionals. The resulting KE gradient expansion functional, named uGE4m, belongs to the novel class of u-meta-generalized-gradient-approximations (uMGGA) whose members depend on the conventional ingredients (i.e., the reduced gradient and Laplacian of the density) as well as on the reduced Hartree potential. To test uGE4m, we defined an appropriate benchmark (including total KE and KE differences for atoms, molecules and jellium clusters) for gradient expansion functionals, that is, including only those systems which are mainly described by a slowly varying density regime. While most of the GGA and meta-GGA KE functionals (we tested 18 of them) are accurate for some properties and inaccurate for others, uGE4m shows a consistently good performance for all the properties considered. This represents a qualitative boost in the KE functional development and highlights the importance of the reduced Hartree potential for the construction of next-generation KE functionals.
Computer Center: 2 HyperCard Stacks for Biology.
ERIC Educational Resources Information Center
Duhrkopf, Richard, Ed.
1989-01-01
Two Hypercard stacks are reviewed including "Amino Acids," created to help students associate amino acid names with their structures, and "DNA Teacher," a tutorial on the structure and function of DNA. Availability, functions, hardware requirements, and general comments on these stacks are provided. (CW)
Functional integrative levels in the human interactome recapitulate organ organization.
Souiai, Ouissem; Becker, Emmanuelle; Prieto, Carlos; Benkahla, Alia; De las Rivas, Javier; Brun, Christine
2011-01-01
Interactome networks represent sets of possible physical interactions between proteins. They lack spatio-temporal information by construction. However, the specialized functions of the differentiated cell types which are assembled into tissues or organs depend on the combinatorial arrangements of proteins and their physical interactions. Is tissue-specificity, therefore, encoded within the interactome? In order to address this question, we combined protein-protein interactions, expression data, functional annotations and interactome topology. We first identified a subnetwork formed exclusively of proteins whose interactions were observed in all tested tissues. These are mainly involved in housekeeping functions and are located at the topological center of the interactome. This 'Largest Common Interactome Network' represents a 'functional interactome core'. Interestingly, two types of tissue-specific interactions are distinguished when considering function and network topology: tissue-specific interactions involved in regulatory and developmental functions are central whereas tissue-specific interactions involved in organ physiological functions are peripheral. Overall, the functional organization of the human interactome reflects several integrative levels of functions with housekeeping and regulatory tissue-specific functions at the center and physiological tissue-specific functions at the periphery. This gradient of functions recapitulates the organization of organs, from cells to organs. Given that several gradients have already been identified across interactomes, we propose that gradients may represent a general principle of protein-protein interaction network organization.
Towards an Optimal Gradient-dependent Energy Functional of the PZ-SIC Form
Jónsson, Elvar Örn; Lehtola, Susi; Jónsson, Hannes
2015-06-01
Results of Perdew–Zunger self-interaction corrected (PZ-SIC) density functional theory calculations of the atomization energy of 35 molecules are compared to those of high-level quantum chemistry calculations. While the PBE functional, which is commonly used in calculations of condensed matter, is known to predict on average too high atomization energy (overbinding of the molecules), the application of PZ-SIC gives a large overcorrection and leads to significant underestimation of the atomization energy. The exchange enhancement factor that is optimal for the generalized gradient approximation within the Kohn-Sham (KS) approach may not be optimal for the self-interaction corrected functional. The PBEsol functional, wheremore » the exchange enhancement factor was optimized for solids, gives poor results for molecules in KS but turns out to work better than PBE in PZ-SIC calculations. The exchange enhancement is weaker in PBEsol and the functional is closer to the local density approximation. Furthermore, the drop in the exchange enhancement factor for increasing reduced gradient in the PW91 functional gives more accurate results than the plateaued enhancement in the PBE functional. A step towards an optimal exchange enhancement factor for a gradient dependent functional of the PZ-SIC form is taken by constructing an exchange enhancement factor that mimics PBEsol for small values of the reduced gradient, and PW91 for large values. The average atomization energy is then in closer agreement with the high-level quantum chemistry calculations, but the variance is still large, the F 2 molecule being a notable outlier.« less
NASA Astrophysics Data System (ADS)
Grüning, M.; Gritsenko, O. V.; Baerends, E. J.
2002-04-01
An approximate Kohn-Sham (KS) exchange potential vxσCEDA is developed, based on the common energy denominator approximation (CEDA) for the static orbital Green's function, which preserves the essential structure of the density response function. vxσCEDA is an explicit functional of the occupied KS orbitals, which has the Slater vSσ and response vrespσCEDA potentials as its components. The latter exhibits the characteristic step structure with "diagonal" contributions from the orbital densities |ψiσ|2, as well as "off-diagonal" ones from the occupied-occupied orbital products ψiσψj(≠1)σ*. Comparison of the results of atomic and molecular ground-state CEDA calculations with those of the Krieger-Li-Iafrate (KLI), exact exchange (EXX), and Hartree-Fock (HF) methods show, that both KLI and CEDA potentials can be considered as very good analytical "closure approximations" to the exact KS exchange potential. The total CEDA and KLI energies nearly coincide with the EXX ones and the corresponding orbital energies ɛiσ are rather close to each other for the light atoms and small molecules considered. The CEDA, KLI, EXX-ɛiσ values provide the qualitatively correct order of ionizations and they give an estimate of VIPs comparable to that of the HF Koopmans' theorem. However, the additional off-diagonal orbital structure of vxσCEDA appears to be essential for the calculated response properties of molecular chains. KLI already considerably improves the calculated (hyper)polarizabilities of the prototype hydrogen chains Hn over local density approximation (LDA) and standard generalized gradient approximations (GGAs), while the CEDA results are definitely an improvement over the KLI ones. The reasons of this success are the specific orbital structures of the CEDA and KLI response potentials, which produce in an external field an ultranonlocal field-counteracting exchange potential.
Parallel Nonnegative Least Squares Solvers for Model Order Reduction
2016-03-01
NNLS problems that arise when the Energy Conserving Sampling and Weighting hyper -reduction procedure is used when constructing a reduced-order model...ScaLAPACK and performance results are presented. nonnegative least squares, model order reduction, hyper -reduction, Energy Conserving Sampling and...optimal solution. ........................................ 20 Table 6 Reduced mesh sizes produced for each solver in the ECSW hyper -reduction step
Characterization of Orbital Debris via Hyper-Velocity Ground-Based Tests
NASA Technical Reports Server (NTRS)
Cowardin, Heather
2016-01-01
The purpose of the DebriSat project is to replicate a hyper-velocity fragmentation event using modern-day spacecraft materials and construction techniques to better improve the existing DoDand NASA breakup models.
NASA Technical Reports Server (NTRS)
Shih, Tsan-Hsing; Povinelli, Louis A.; Liu, Nan-Suey; Potapczuk, Mark G.; Lumley, J. L.
1999-01-01
The asymptotic solutions, described by Tennekes and Lumley (1972), for surface flows in a channel, pipe or boundary layer at large Reynolds numbers are revisited. These solutions can be extended to more complex flows such as the flows with various pressure gradients, zero wall stress and rough surfaces, etc. In computational fluid dynamics (CFD), these solutions can be used as the boundary conditions to bridge the near-wall region of turbulent flows so that there is no need to have the fine grids near the wall unless the near-wall flow structures are required to resolve. These solutions are referred to as the wall functions. Furthermore, a generalized and unified law of the wall which is valid for whole surface layer (including viscous sublayer, buffer layer and inertial sublayer) is analytically constructed. The generalized law of the wall shows that the effect of both adverse and favorable pressure gradients on the surface flow is very significant. Such as unified wall function will be useful not only in deriving analytic expressions for surface flow properties but also bringing a great convenience for CFD methods to place accurate boundary conditions at any location away from the wall. The extended wall functions introduced in this paper can be used for complex flows with acceleration, deceleration, separation, recirculation and rough surfaces.
Generalized Wall Function for Complex Turbulent Flows
NASA Technical Reports Server (NTRS)
Shih, Tsan-Hsing; Povinelli, Louis A.; Liu, Nan-Suey; Chen, Kuo-Huey
2000-01-01
A generalized wall function was proposed by Shih et al., (1999). It accounts the effect of pressure gradients on the flow near the wall. Theory shows that the effect of pressure gradients on the flow in the inertial sublayer is very significant and the standard wall function should be replaced by a generalized wall function. Since the theory is also valid for boundary layer flows toward separation, the generalized wall function may be applied to complex turbulent flows with acceleration, deceleration, separation and recirculation. This paper is to verify the generalized wall function with numerical simulations for boundary layer flows with various adverse and favorable pressure gradients, including flows about to separate. Furthermore, a general procedure of implementation of the generalized wall function for National Combustion Code (NCC) is described, it can be applied to both structured and unstructured CFD codes.
Global collocation methods for approximation and the solution of partial differential equations
NASA Technical Reports Server (NTRS)
Solomonoff, A.; Turkel, E.
1986-01-01
Polynomial interpolation methods are applied both to the approximation of functions and to the numerical solutions of hyperbolic and elliptic partial differential equations. The derivative matrix for a general sequence of the collocation points is constructed. The approximate derivative is then found by a matrix times vector multiply. The effects of several factors on the performance of these methods including the effect of different collocation points are then explored. The resolution of the schemes for both smooth functions and functions with steep gradients or discontinuities in some derivative are also studied. The accuracy when the gradients occur both near the center of the region and in the vicinity of the boundary is investigated. The importance of the aliasing limit on the resolution of the approximation is investigated in detail. Also examined is the effect of boundary treatment on the stability and accuracy of the scheme.
Davuluri, Ganga Rao; van Tuinen, Ageeth; Mustilli, Anna Chiara; Manfredonia, Alessandro; Newman, Robert; Burgess, Diane; Brummell, David A.; King, Stephen R.; Palys, Joe; Uhlig, John; Pennings, Henk M. J.; Bowler, Chris
2013-01-01
Summary The tomato HIGH PIGMENT-2 gene encodes an orthologue of the Arabidopsis nuclear protein DE-ETIOLATED 1 (DET1). From genetic analyses it has been proposed that DET1 is a negative regulator of light signal transduction, and recent results indicate that it may control light-regulated gene expression at the level of chromatin remodelling. To gain further understanding about the function of DET1 during plant development, we generated a range of overexpression constructs and introduced them into tomato. Unexpectedly, we only observed phenotypes characteristic of DET1 inactivation, i.e. hyper-responsiveness to light. Molecular analysis indicated in all cases that these phenotypes were a result of suppression of endogenous DET1 expression, due to post-transcriptional gene silencing. DET1 silencing was often lethal when it occurred at relatively early stages of plant development, whereas light hyper-responsive phenotypes were obtained when silencing occurred later on. The appearance of phenotypes correlated with the generation of siRNAs but not DNA hypermethylation, and was most efficient when using constructs with mutations in the DET1 coding sequence or with constructs containing only the 3′-terminal portion of the gene. These results indicate an important function for DET1 throughout plant development and demonstrate that silencing of DET1 in fruits results in increased carotenoids, which may have biotechnological potential. PMID:15469492
Functional Integrative Levels in the Human Interactome Recapitulate Organ Organization
Prieto, Carlos; Benkahla, Alia; De Las Rivas, Javier; Brun, Christine
2011-01-01
Interactome networks represent sets of possible physical interactions between proteins. They lack spatio-temporal information by construction. However, the specialized functions of the differentiated cell types which are assembled into tissues or organs depend on the combinatorial arrangements of proteins and their physical interactions. Is tissue-specificity, therefore, encoded within the interactome? In order to address this question, we combined protein-protein interactions, expression data, functional annotations and interactome topology. We first identified a subnetwork formed exclusively of proteins whose interactions were observed in all tested tissues. These are mainly involved in housekeeping functions and are located at the topological center of the interactome. This ‘Largest Common Interactome Network’ represents a ‘functional interactome core’. Interestingly, two types of tissue-specific interactions are distinguished when considering function and network topology: tissue-specific interactions involved in regulatory and developmental functions are central whereas tissue-specific interactions involved in organ physiological functions are peripheral. Overall, the functional organization of the human interactome reflects several integrative levels of functions with housekeeping and regulatory tissue-specific functions at the center and physiological tissue-specific functions at the periphery. This gradient of functions recapitulates the organization of organs, from cells to organs. Given that several gradients have already been identified across interactomes, we propose that gradients may represent a general principle of protein-protein interaction network organization. PMID:21799769
A note on the Hyper-CR equation, and gauged N = 2 supergravity
NASA Astrophysics Data System (ADS)
Dunajski, Maciej; Gutowski, Jan; Sabra, Wafic
2018-05-01
We construct a new class of solutions to the dispersionless hyper-CR equation, and show how any solution to this equation gives rise to a supersymmetric Einstein-Maxwell cosmological space-time in (3 + 1)-dimensions.
Application of the Hyper-Poisson Generalized Linear Model for Analyzing Motor Vehicle Crashes.
Khazraee, S Hadi; Sáez-Castillo, Antonio Jose; Geedipally, Srinivas Reddy; Lord, Dominique
2015-05-01
The hyper-Poisson distribution can handle both over- and underdispersion, and its generalized linear model formulation allows the dispersion of the distribution to be observation-specific and dependent on model covariates. This study's objective is to examine the potential applicability of a newly proposed generalized linear model framework for the hyper-Poisson distribution in analyzing motor vehicle crash count data. The hyper-Poisson generalized linear model was first fitted to intersection crash data from Toronto, characterized by overdispersion, and then to crash data from railway-highway crossings in Korea, characterized by underdispersion. The results of this study are promising. When fitted to the Toronto data set, the goodness-of-fit measures indicated that the hyper-Poisson model with a variable dispersion parameter provided a statistical fit as good as the traditional negative binomial model. The hyper-Poisson model was also successful in handling the underdispersed data from Korea; the model performed as well as the gamma probability model and the Conway-Maxwell-Poisson model previously developed for the same data set. The advantages of the hyper-Poisson model studied in this article are noteworthy. Unlike the negative binomial model, which has difficulties in handling underdispersed data, the hyper-Poisson model can handle both over- and underdispersed crash data. Although not a major issue for the Conway-Maxwell-Poisson model, the effect of each variable on the expected mean of crashes is easily interpretable in the case of this new model. © 2014 Society for Risk Analysis.
[Application of hyper-spectral remote sensing technology in environmental protection].
Zhao, Shao-Hua; Zhang, Feng; Wang, Qiao; Yao, Yun-Jun; Wang, Zhong-Ting; You, Dai-An
2013-12-01
Hyper-spectral remote sensing (RS) technology has been widely used in environmental protection. The present work introduces its recent application in the RS monitoring of pollution gas, green-house gas, algal bloom, water quality of catch water environment, safety of drinking water sources, biodiversity, vegetation classification, soil pollution, and so on. Finally, issues such as scarce hyper-spectral satellites, the limits of data processing and information extract are related. Some proposals are also presented, including developing subsequent satellites of HJ-1 satellite with differential optical absorption spectroscopy, greenhouse gas spectroscopy and hyper-spectral imager, strengthening the study of hyper-spectral data processing and information extraction, and promoting the construction of environmental application system.
HyperCard--A Science Teaching Tool.
ERIC Educational Resources Information Center
Parker, Carol
1992-01-01
Discussion of new technological resources available for science instruction focuses on the use of the HyperCard software for the Macintosh to design customized materials. Topics addressed include general features of HyperCard, designing HyperCard stacks, graphics, and designing buttons (i.e., links for moving through the stacks). Several sample…
NASA Astrophysics Data System (ADS)
McPhee, Blair W.; Choiniere, Jonah N.
2016-11-01
It has generally been held that the locomotory habits of sauropodomorph dinosaurs moved in a relatively linear evolutionary progression from bipedal through "semi-bipedal" to the fully quadrupedal gait of Sauropoda. However, there is now a growing appreciation of the range of locomotory strategies practiced amongst contemporaneous taxa of the latest Triassic and earliest Jurassic. Here we present on the anatomy of a hyper-robust basal sauropodomorph ilium from the Late Triassic-Early Jurassic Elliot Formation of South Africa. This element, in addition to highlighting the unexpected range of bauplan diversity throughout basal Sauropodomorpha, also has implications for our understanding of the relevance of "robusticity" to sauropodomorph evolution beyond generalized limb scaling relationships. Possibly representing a unique form of hindlimb stabilization during phases of bipedal locomotion, the autapomorphic morphology of this newly rediscovered ilium provides additional insight into the myriad ways in which basal Sauropodomorpha managed the inherited behavioural and biomechanical challenges of increasing body-size, hyper-herbivory, and a forelimb primarily adapted for use in a bipedal context.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wazawa, Tetsuichi; CREST, JST, 4-1-8, Honcho, Kawaguchi, Saitama 332-0012; Sagawa, Takashi
2011-01-28
Research highlights: {yields} Translationally hyper-mobile water has been detected around actin filaments. {yields} Translationally hyper-mobile water is formed upon polymerization of actin. {yields} Low water viscosity was found around F-actin using fluorescence anisotropy. {yields} Formation of hyper-mobile water may explain endothermic actin polymerization. -- Abstract: This paper reports that water molecules around F-actin, a polymerized form of actin, are more mobile than those around G-actin or in bulk water. A measurement using pulse-field gradient spin-echo {sup 1}H NMR showed that the self-diffusion coefficient of water in aqueous F-actin solution increased with actin concentration by {approx}5%, whereas that in G-actin solutionmore » was close to that of pure water. This indicates that an F-actin/water interaction is responsible for the high self-diffusion of water. The local viscosity around actin was also investigated by fluorescence measurements of Cy3, a fluorescent dye, conjugated to Cys 374 of actin. The steady-state fluorescence anisotropy of Cy3 attached to F-actin was 0.270, which was lower than that for G-actin, 0.334. Taking into account the fluorescence lifetimes of the Cy3 bound to actin, their rotational correlation times were estimated to be 3.8 and 9.1 ns for F- and G-actin, respectively. This indicates that Cy3 bound to F-actin rotates more freely than that bound to G-actin, and therefore the local water viscosity is lower around F-actin than around G-actin.« less
NASA Astrophysics Data System (ADS)
Sollberger, David; Schmelzbach, Cedric; Robertsson, Johan O. A.; Greenhalgh, Stewart A.; Nakamura, Yosio; Khan, Amir
2016-10-01
Enigmatic lunar seismograms recorded during the Apollo 17 mission in 1972 have so far precluded the identification of shear-wave arrivals and hence the construction of a comprehensive elastic model of the shallow lunar subsurface. Here, for the first time, we extract shear-wave information from the Apollo active seismic data using a novel waveform analysis technique based on spatial seismic wavefield gradients. The star-like recording geometry of the active seismic experiment lends itself surprisingly well to compute spatial wavefield gradients and rotational ground motion as a function of time. These observables, which are new to seismic exploration in general, allowed us to identify shear waves in the complex lunar seismograms, and to derive a new model of seismic compressional and shear-wave velocities in the shallow lunar crust, critical to understand its lithology and constitution, and its impact on other geophysical investigations of the Moon's deep interior.
New 2D dilaton gravity for nonsingular black holes
NASA Astrophysics Data System (ADS)
Kunstatter, Gabor; Maeda, Hideki; Taves, Tim
2016-05-01
We construct a two-dimensional action that is an extension of spherically symmetric Einstein-Lanczos-Lovelock (ELL) gravity. The action contains arbitrary functions of the areal radius and the norm squared of its gradient, but the field equations are second order and obey Birkhoff’s theorem. In complete analogy with spherically symmetric ELL gravity, the field equations admit the generalized Misner-Sharp mass as the first integral that determines the form of the vacuum solution. The arbitrary functions in the action allow for vacuum solutions that describe a larger class of interesting nonsingular black hole spacetimes than previously available.
Parallel Photonic Quantum Computation Assisted by Quantum Dots in One-Side Optical Microcavities
Luo, Ming-Xing; Wang, Xiaojun
2014-01-01
Universal quantum logic gates are important elements for a quantum computer. In contrast to previous constructions on one degree of freedom (DOF) of quantum systems, we investigate the possibility of parallel quantum computations dependent on two DOFs of photon systems. We construct deterministic hyper-controlled-not (hyper-CNOT) gates operating on the spatial-mode and the polarization DOFs of two-photon or one-photon systems by exploring the giant optical circular birefringence induced by quantum-dot spins in one-sided optical microcavities. These hyper-CNOT gates show that the quantum states of two DOFs can be viewed as independent qubits without requiring auxiliary DOFs in theory. This result can reduce the quantum resources by half for quantum applications with large qubit systems, such as the quantum Shor algorithm. PMID:25030424
Parallel photonic quantum computation assisted by quantum dots in one-side optical microcavities.
Luo, Ming-Xing; Wang, Xiaojun
2014-07-17
Universal quantum logic gates are important elements for a quantum computer. In contrast to previous constructions on one degree of freedom (DOF) of quantum systems, we investigate the possibility of parallel quantum computations dependent on two DOFs of photon systems. We construct deterministic hyper-controlled-not (hyper-CNOT) gates operating on the spatial-mode and the polarization DOFs of two-photon or one-photon systems by exploring the giant optical circular birefringence induced by quantum-dot spins in one-sided optical microcavities. These hyper-CNOT gates show that the quantum states of two DOFs can be viewed as independent qubits without requiring auxiliary DOFs in theory. This result can reduce the quantum resources by half for quantum applications with large qubit systems, such as the quantum Shor algorithm.
Molina, Verónica; Eissler, Yoanna; Cornejo, Marcela; Galand, Pierre E; Dorador, Cristina; Hengst, Martha; Fernandez, Camila; Francois, Jean Pierre
2018-04-06
Northern Chile harbors different bioclimatic zones including hyper-arid and arid ecosystems and hotspots of microbial life, such as high altitude wetlands, which may contribute differentially to greenhouse gases (GHG) such as carbon dioxide (CO 2 ), methane (CH 4 ) and nitrous oxide (N 2 O). In this study, we explored ground level GHG distribution and the potential role of a wetland situated at 3800 m.a.s.l, and characterized by high solar radiation < 1600 W m -2 , extreme temperature ranges (-12 to 24 °C) and wind stress (< 17 m s -1 ). The water source of the wetland is mainly groundwater springs, which generates streams and ponds surrounded by peatlands. These sites support a rich microbial aquatic life including diverse bacteria and archaea communities, which transiently form more complex structures, such as microbial mats. In this study, GHG were measured in the water and above ground level air at the wetland site and along an elevation gradient in different bioclimatic areas from arid to hyper-arid zones. The microbiome from the water and sediments was described by high-throughput sequencing 16S rRNA and rDNA genes. The results indicate that GHG at ground level were variable along the elevation gradient potentially associated with different bioclimatic zones, reaching high values at the high Andean steppe and variable but lower values in the Atacama Desert and at the wetland. The water areas of the wetland presented high concentrations of CH 4 and CO 2 , particularly at the spring areas and in air bubbles below microbial mats. The microbial community was rich (> 40 phyla), including archaea and bacteria potentially active in the different matrices studied (water, sediments and mats). Functional microbial groups associated with GHG recycling were detected at low frequency, i.e., < 2.5% of total sequences. Our results indicate that hyper-arid and arid areas of northern Chile are sites of GHG exchange associated with various bioclimatic zones and particularly in aquatic areas of the wetland where this ecosystem could represent a net sink of N 2 O and a source for CH 4 and CO 2 .
D'Amora, Ugo; D'Este, Matteo; Eglin, David; Safari, Fatemeh; Sprecher, Christoph M; Gloria, Antonio; De Santis, Roberto; Alini, Mauro; Ambrosio, Luigi
2018-02-01
The ability to engineer scaffolds that resemble the transition between tissues would be beneficial to improve repair of complex organs, but has yet to be achieved. In order to mimic tissue organization, such constructs should present continuous gradients of geometry, stiffness and biochemical composition. Although the introduction of rapid prototyping or additive manufacturing techniques allows deposition of heterogeneous layers and shape control, the creation of surface chemical gradients has not been explored on three-dimensional (3D) scaffolds obtained through fused deposition modelling technique. Thus, the goal of this study was to introduce a gradient functionalization method in which a poly(ε-caprolactone) surface was first aminolysed and subsequently covered with collagen via carbodiimide reaction. The 2D constructs were characterized for their amine and collagen contents, wettability, surface topography and biofunctionality. Finally, chemical gradients were created in 3D printed scaffolds with controlled geometry and porosity. The combination of additive manufacturing and surface modification is a viable tool for the fabrication of 3D constructs with controlled structural and chemical gradients. These constructs can be employed for mimicking continuous tissue gradients for interface tissue engineering. Copyright © 2017 John Wiley & Sons, Ltd.
Response of general practitioners to computer-generated critiques of hypertension therapy.
van der Lei, J; van der Does, E; Man in 't Veld, A J; Musen, M A; van Bemmel, J H
1993-04-01
We recently have shown that a computer system, known as HyperCritic, can successfully audit general practitioners' treatment of hypertension by analyzing computer-based patient records. HyperCritic reviews the electronic medical records and offers unsolicited advice. To determine which unsolicited advice might be perceived as inappropriate, builders of programs such as HyperCritic need insight into providers' responses to computer-generated critique of their patient care. Twenty medical charts, describing in total 243 visits of patients with hypertension, were audited by 8 human reviewers and by the critiquing-system HyperCritic. A panel of 14 general practitioners subsequently judged the relevance of those critiques on a five-point scale ranging from relevant critique to erroneous or harmful critique. The panel judged reviewers' comments to be either relevant or somewhat relevant in 61 to 68% of cases, and either erroneous or possibly erroneous in 15 to 18%; the panel judged HyperCritic's comments to be either relevant or somewhat relevant in 65% of cases, and either erroneous or possibly erroneous in 16%. Comparison of individual members of the panel showed large differences; for example, the portion of HyperCritic's comments judged relevant ranged from 0 to 82%. We conclude that, from the perspective of general practitioners, critiques generated by the critiquing system HyperCritic are perceived equally beneficial as critiques generated by human reviewers. Different general practitioners, however, judge the critiques differently. Before auditing systems based on computer-based patient records that are acceptable to practitioners can be introduced, additional studies are needed to evaluate the reasons a physician may have for judging critiques to be irrelevant, and to evaluate the effect of critiques on physician behavior.
Gauge Fields in Homogeneous and Inhomogeneous Cosmologies
NASA Astrophysics Data System (ADS)
Darian, Bahman K.
Despite its formidable appearance, the study of classical Yang-Mills (YM) fields on homogeneous cosmologies is amenable to a formal treatment. This dissertation is a report on a systematic approach to the general construction of invariant YM fields on homogeneous cosmologies undertaken for the first time in this context. This construction is subsequently followed by the investigation of the behavior of YM field variables for the most simple of self-gravitating YM fields. Particularly interesting was a dynamical system analysis and the discovery of chaotic signature in the axially symmetric Bianchi I-YM cosmology. Homogeneous YM fields are well studied and are known to have chaotic properties. The chaotic behavior of YM field variables in homogeneous cosmologies might eventually lead to an invariant definition of chaos in (general) relativistic cosmological models. By choosing the gauge fields to be Abelian, the construction and the field equations presented so far reduce to that of electromagnetic field in homogeneous cosmologies. A perturbative analysis of gravitationally interacting electromagnetic and scalar fields in inhomogeneous cosmologies is performed via the Hamilton-Jacobi formulation of general relativity. An essential feature of this analysis is the spatial gradient expansion of the generating functional (Hamilton principal function) to solve the Hamiltonian constraint. Perturbations of a spatially flat Friedman-Robertson-Walker cosmology with an exponential potential for the scalar field are presented.
Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Peng, Haowei; Yang, Zeng-Hui; Perdew, John P.
A “best-of-both-worlds” van der Waals (vdW) density functional is constructed, seamlessly supplementing the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation for short- and intermediate-range interactions with the long-range vdW interaction from r VV 10 , the revised Vydrov–van Voorhis nonlocal correlation functional. The resultant SCAN + r VV 10 is the only vdW density functional to date that yields excellent interlayer binding energies and spacings, as well as intralayer lattice constants in 28 layered materials. Its versatility for various kinds of bonding is further demonstrated by its good performance for 22 interactions between molecules; the cohesive energies andmore » lattice constants of 50 solids; the adsorption energy and distance of a benzene molecule on coinage-metal surfaces; the binding energy curves for graphene on Cu(111), Ni(111), and Co(0001) surfaces; and the rare-gas solids. We argue that a good semilocal approximation should (as SCAN does) capture the intermediate-range vdW through its exchange term. We have found an effective range of the vdW interaction between 8 and 16 Å for systems considered here, suggesting that this interaction is negligibly small at the larger distances where it reaches its asymptotic power-law decay.« less
Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation
Peng, Haowei; Yang, Zeng-Hui; Perdew, John P.; ...
2016-10-12
A “best-of-both-worlds” van der Waals (vdW) density functional is constructed, seamlessly supplementing the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation for short- and intermediate-range interactions with the long-range vdW interaction from r VV 10 , the revised Vydrov–van Voorhis nonlocal correlation functional. The resultant SCAN + r VV 10 is the only vdW density functional to date that yields excellent interlayer binding energies and spacings, as well as intralayer lattice constants in 28 layered materials. Its versatility for various kinds of bonding is further demonstrated by its good performance for 22 interactions between molecules; the cohesive energies andmore » lattice constants of 50 solids; the adsorption energy and distance of a benzene molecule on coinage-metal surfaces; the binding energy curves for graphene on Cu(111), Ni(111), and Co(0001) surfaces; and the rare-gas solids. We argue that a good semilocal approximation should (as SCAN does) capture the intermediate-range vdW through its exchange term. We have found an effective range of the vdW interaction between 8 and 16 Å for systems considered here, suggesting that this interaction is negligibly small at the larger distances where it reaches its asymptotic power-law decay.« less
Müller, Viktor; Perdikis, Dionysios; von Oertzen, Timo; Sleimen-Malkoun, Rita; Jirsa, Viktor; Lindenberger, Ulman
2016-01-01
Resting-state and task-related recordings are characterized by oscillatory brain activity and widely distributed networks of synchronized oscillatory circuits. Electroencephalographic recordings (EEG) were used to assess network structure and network dynamics during resting state with eyes open and closed, and auditory oddball performance through phase synchronization between EEG channels. For this assessment, we constructed a hyper-frequency network (HFN) based on within- and cross-frequency coupling (WFC and CFC, respectively) at 10 oscillation frequencies ranging between 2 and 20 Hz. We found that CFC generally differentiates between task conditions better than WFC. CFC was the highest during resting state with eyes open. Using a graph-theoretical approach (GTA), we found that HFNs possess small-world network (SWN) topology with a slight tendency to random network characteristics. Moreover, analysis of the temporal fluctuations of HFNs revealed specific network topology dynamics (NTD), i.e., temporal changes of different graph-theoretical measures such as strength, clustering coefficient, characteristic path length (CPL), local, and global efficiency determined for HFNs at different time windows. The different topology metrics showed significant differences between conditions in the mean and standard deviation of these metrics both across time and nodes. In addition, using an artificial neural network approach, we found stimulus-related dynamics that varied across the different network topology metrics. We conclude that functional connectivity dynamics (FCD), or NTD, which was found using the HFN approach during rest and stimulus processing, reflects temporal and topological changes in the functional organization and reorganization of neuronal cell assemblies.
Müller, Viktor; Perdikis, Dionysios; von Oertzen, Timo; Sleimen-Malkoun, Rita; Jirsa, Viktor; Lindenberger, Ulman
2016-01-01
Resting-state and task-related recordings are characterized by oscillatory brain activity and widely distributed networks of synchronized oscillatory circuits. Electroencephalographic recordings (EEG) were used to assess network structure and network dynamics during resting state with eyes open and closed, and auditory oddball performance through phase synchronization between EEG channels. For this assessment, we constructed a hyper-frequency network (HFN) based on within- and cross-frequency coupling (WFC and CFC, respectively) at 10 oscillation frequencies ranging between 2 and 20 Hz. We found that CFC generally differentiates between task conditions better than WFC. CFC was the highest during resting state with eyes open. Using a graph-theoretical approach (GTA), we found that HFNs possess small-world network (SWN) topology with a slight tendency to random network characteristics. Moreover, analysis of the temporal fluctuations of HFNs revealed specific network topology dynamics (NTD), i.e., temporal changes of different graph-theoretical measures such as strength, clustering coefficient, characteristic path length (CPL), local, and global efficiency determined for HFNs at different time windows. The different topology metrics showed significant differences between conditions in the mean and standard deviation of these metrics both across time and nodes. In addition, using an artificial neural network approach, we found stimulus-related dynamics that varied across the different network topology metrics. We conclude that functional connectivity dynamics (FCD), or NTD, which was found using the HFN approach during rest and stimulus processing, reflects temporal and topological changes in the functional organization and reorganization of neuronal cell assemblies. PMID:27799906
The mechanism of double-exponential growth in hyper-inflation
NASA Astrophysics Data System (ADS)
Mizuno, T.; Takayasu, M.; Takayasu, H.
2002-05-01
Analyzing historical data of price indices, we find an extraordinary growth phenomenon in several examples of hyper-inflation in which, price changes are approximated nicely by double-exponential functions of time. In order to explain such behavior we introduce the general coarse-graining technique in physics, the Monte Carlo renormalization group method, to the price dynamics. Starting from a microscopic stochastic equation describing dealers’ actions in open markets, we obtain a macroscopic noiseless equation of price consistent with the observation. The effect of auto-catalytic shortening of characteristic time caused by mob psychology is shown to be responsible for the double-exponential behavior.
Smagula, Stephen F; Karim, Helmet T; Rangarajan, Anusha; Santos, Fernando Pasquini; Wood, Sossena C; Santini, Tales; Jakicic, John M; Reynolds, Charles F; Cameron, Judy L; Vallejo, Abbe N; Butters, Meryl A; Rosano, Caterina; Ibrahim, Tamer S; Erickson, Kirk I; Aizenstein, Howard J
2018-06-01
Hippocampal hyperactivation marks preclinical dementia pathophysiology, potentially due to differences in the connectivity of specific medial temporal lobe structures. Our aims were to characterize the resting-state functional connectivity of medial temporal lobe sub-structures in older adults, and evaluate whether specific substructural (rather than global) functional connectivity relates to memory function. In 15 adults (mean age: 69 years), we evaluated the resting state functional connectivity of medial temporal lobe substructures: dentate/Cornu Ammonis (CA) 4, CA1, CA2/3, subiculum, the molecular layer, entorhinal cortex, and parahippocampus. We used 7-Tesla susceptibility weighted imaging and magnetization-prepared rapid gradient echo sequences to segment substructures of the hippocampus, which were used as structural seeds for examining functional connectivity in a resting BOLD sequence. We then assessed correlations between functional connectivity with memory performance (short and long delay free recall on the California Verbal Learning Test [CVLT]). All the seed regions had significant connectivity within the temporal lobe (including the fusiform, temporal, and lingual gyri). The left CA1 was the only seed with significant functional connectivity to the amygdala. The left entorhinal cortex was the only seed to have significant functional connectivity with frontal cortex (anterior cingulate and superior frontal gyrus). Only higher left dentate-left lingual connectivity was associated with poorer CVLT performance (Spearman r = -0.81, p = 0.0003, Benjamini-Hochberg false discovery rate: 0.01) after multiple comparison correction. Rather than global hyper-connectivity of the medial temporal lobe, left dentate-lingual connectivity may provide a specific assay of medial temporal lobe hyper-connectivity relevant to memory in aging. Copyright © 2018 American Association for Geriatric Psychiatry. Published by Elsevier Inc. All rights reserved.
An in vitro hepatic zonation model with a continuous oxygen gradient in a microdevice.
Sato, Asako; Kadokura, Kanae; Uchida, Hideyuki; Tsukada, Kosuke
2014-10-31
In a hepatic lobule, different sets of metabolic enzymes are expressed in the periportal (PP) and pericentral (PC) regions, forming a functional zonation, and the oxygen gradient is considered a determinant of zone formation. It is desirable to reproduce lobular microenvironment in vitro, but incubation of primary hepatocytes in conventional culture dishes has been limited at fixed oxygen concentrations due to technical difficulties. We designed a cell culture microdevice with an oxygen gradient to reproduce the hepatic microenvironment in vitro. The oxygen gradient during cell culture was monitored using a laser-assisted phosphorescence quenching method, and the cellular oxygen consumption rate could be estimated from changes in the gradient. Culture medium was continuously exchanged through microchannels installed in the device to maintain the oxygen gradient for a long term without transient hyper-oxygenation. The oxygen consumption rates of hepatocytes at 70.0mmHg and 31.4mmHg of partial oxygen pressure, which correspond to PP and PC regions in the microdevice, were 3.67×10(-10) and 3.15×10(-10)mol/s/10(6) cells, respectively. Antimycin A changed the oxygen gradient profile, indicating that cellular respiration can be estimated during cell culture. RT-PCR analysis of hepatocytes cultured under the oxygen gradient showed that mRNA expression of PEPCK and GK significantly increased in culture areas corresponding to PP and PC regions, respectively. These results indicate that the developed microdevice can reproduce the hepatic lobular microenvironment. The oxygen gradient in the microdevice can be closely controlled by changing the sizes of gas channels and the ambient oxygen concentration around the device; therefore, it could be expected to mimic the oxygen gradient of various organs, and it may be applicable to other pathological models. Copyright © 2014 Elsevier Inc. All rights reserved.
Guo, Hao; Zhang, Fan; Chen, Junjie; Xu, Yong; Xiang, Jie
2017-01-01
Exploring functional interactions among various brain regions is helpful for understanding the pathological underpinnings of neurological disorders. Brain networks provide an important representation of those functional interactions, and thus are widely applied in the diagnosis and classification of neurodegenerative diseases. Many mental disorders involve a sharp decline in cognitive ability as a major symptom, which can be caused by abnormal connectivity patterns among several brain regions. However, conventional functional connectivity networks are usually constructed based on pairwise correlations among different brain regions. This approach ignores higher-order relationships, and cannot effectively characterize the high-order interactions of many brain regions working together. Recent neuroscience research suggests that higher-order relationships between brain regions are important for brain network analysis. Hyper-networks have been proposed that can effectively represent the interactions among brain regions. However, this method extracts the local properties of brain regions as features, but ignores the global topology information, which affects the evaluation of network topology and reduces the performance of the classifier. This problem can be compensated by a subgraph feature-based method, but it is not sensitive to change in a single brain region. Considering that both of these feature extraction methods result in the loss of information, we propose a novel machine learning classification method that combines multiple features of a hyper-network based on functional magnetic resonance imaging in Alzheimer's disease. The method combines the brain region features and subgraph features, and then uses a multi-kernel SVM for classification. This retains not only the global topological information, but also the sensitivity to change in a single brain region. To certify the proposed method, 28 normal control subjects and 38 Alzheimer's disease patients were selected to participate in an experiment. The proposed method achieved satisfactory classification accuracy, with an average of 91.60%. The abnormal brain regions included the bilateral precuneus, right parahippocampal gyrus\\hippocampus, right posterior cingulate gyrus, and other regions that are known to be important in Alzheimer's disease. Machine learning classification combining multiple features of a hyper-network of functional magnetic resonance imaging data in Alzheimer's disease obtains better classification performance. PMID:29209156
The potential and flux landscape theory of evolution.
Zhang, Feng; Xu, Li; Zhang, Kun; Wang, Erkang; Wang, Jin
2012-08-14
We established the potential and flux landscape theory for evolution. We found explicitly the conventional Wright's gradient adaptive landscape based on the mean fitness is inadequate to describe the general evolutionary dynamics. We show the intrinsic potential as being Lyapunov function(monotonically decreasing in time) does exist and can define the adaptive landscape for general evolution dynamics for studying global stability. The driving force determining the dynamics can be decomposed into gradient of potential landscape and curl probability flux. Non-zero flux causes detailed balance breaking and measures how far the evolution from equilibrium state. The gradient of intrinsic potential and curl flux are perpendicular to each other in zero fluctuation limit resembling electric and magnetic forces on electrons. We quantified intrinsic energy, entropy and free energy of evolution and constructed non-equilibrium thermodynamics. The intrinsic non-equilibrium free energy is a Lyapunov function. Both intrinsic potential and free energy can be used to quantify the global stability and robustness of evolution. We investigated an example of three allele evolutionary dynamics with frequency dependent selection (detailed balance broken). We uncovered the underlying single, triple, and limit cycle attractor landscapes. We found quantitative criterions for stability through landscape topography. We also quantified evolution pathways and found paths do not follow potential gradient and are irreversible due to non-zero flux. We generalized the original Fisher's fundamental theorem to the general (i.e., frequency dependent selection) regime of evolution by linking the adaptive rate with not only genetic variance related to the potential but also the flux. We show there is an optimum potential where curl flux resulting from biotic interactions of individuals within a species or between species can sustain an endless evolution even if the physical environment is unchanged. We offer a theoretical basis for explaining the corresponding Red Queen hypothesis proposed by Van Valen. Our work provides a theoretical foundation for evolutionary dynamics.
Neuromodulation of detrusor hyper-reflexia by functional magnetic stimulation of the sacral roots.
Sheriff, M K; Shah, P J; Fowler, C; Mundy, A R; Craggs, M D
1996-07-01
To investigate the acute effects of functional magnetic stimulation (FMS) on detrusor hyper-reflexia using a multi-pulse magnetic stimulator. Seven male patients with established and intractable detrusor hyper-reflexia following spinal cord injury were studied. No patient was on medication and none had had previous surgery for detrusor hyper-reflexia. After optimization of magnetic stimulation of S2-S4 sacral anterior roots by recording toe flexor electromyograms, unstable detrusor activity was provoked during cystometry by rapid infusion of fluid into the bladder. The provocation test produced consistent and predictable detrusor hyper-reflexia. On some provocations, supramaximal FMS at 20 pulses/s for 5 s was applied at detrusor pressures which were > 15 cmH2O. Following FMS there was an obvious acute suppression of detrusor hyper-reflexia. There was a profound reduction in detrusor contraction, as assessed by the area under the curves of detrusor pressure with time. Functional magnetic stimulation applied over the sacrum can profoundly suppress detrusor hyper-reflexia in man. It may provide a non-invasive method of assessing patients for implantable electrical neuromodulation devices and as a therapeutic option in its own right.
Havird, Justin C; Santos, Scott R; Henry, Raymond P
2014-07-01
Studies of euryhaline crustaceans have identified conserved osmoregulatory adaptions allowing hyper-osmoregulation in dilute waters. However, previous studies have mainly examined decapod brachyurans with marine ancestries inhabiting estuaries or tidal creeks on a seasonal basis. Here, we describe osmoregulation in the atyid Halocaridina rubra, an endemic Hawaiian shrimp of freshwater ancestry from the islands' anchialine ecosystem (coastal ponds with subsurface freshwater and seawater connections) that encounters near-continuous spatial and temporal salinity changes. Given this, survival and osmoregulatory responses were examined over a wide salinity range. In the laboratory, H. rubra tolerated salinities of ~0-56‰, acting as both a hyper- and hypo-osmoregulator and maintaining a maximum osmotic gradient of ~868 mOsm kg(-1) H2O in freshwater. Furthermore, hemolymph osmolality was more stable during salinity transfers relative to other crustaceans. Silver nitrate and vital mitochondria-rich cell staining suggest all gills are osmoregulatory, with a large proportion of each individual gill functioning in ion transport (including when H. rubra acts as an osmoconformer in seawater). Additionally, expression of ion transporters and supporting enzymes that typically undergo upregulation during salinity transfer in osmoregulatory gills (i.e. Na(+)/K(+)-ATPase, carbonic anhydrase, Na(+)/K(+)/2Cl(-) cotransporter, V-type H(+)-ATPase and arginine kinase) were generally unaltered in H. rubra during similar transfers. These results suggest H. rubra (and possibly other anchialine species) maintains high, constitutive levels of gene expression and ion transport capability in the gills as a means of potentially coping with the fluctuating salinities that are encountered in anchialine habitats. Thus, anchialine taxa represent an interesting avenue for future physiological research. © 2014. Published by The Company of Biologists Ltd.
ERIC Educational Resources Information Center
Martinez, Guadalupe; Naranjo, Francisco L.; Perez, Angel L.; Suero, Maria Isabel; Pardo, Pedro J.
2011-01-01
This study compared the educational effects of computer simulations developed in a hyper-realistic virtual environment with the educational effects of either traditional schematic simulations or a traditional optics laboratory. The virtual environment was constructed on the basis of Java applets complemented with a photorealistic visual output.…
Accuracy of Gradient Reconstruction on Grids with High Aspect Ratio
NASA Technical Reports Server (NTRS)
Thomas, James
2008-01-01
Gradient approximation methods commonly used in unstructured-grid finite-volume schemes intended for solutions of high Reynolds number flow equations are studied comprehensively. The accuracy of gradients within cells and within faces is evaluated systematically for both node-centered and cell-centered formulations. Computational and analytical evaluations are made on a series of high-aspect-ratio grids with different primal elements, including quadrilateral, triangular, and mixed element grids, with and without random perturbations to the mesh. Both rectangular and cylindrical geometries are considered; the latter serves to study the effects of geometric curvature. The study shows that the accuracy of gradient reconstruction on high-aspect-ratio grids is determined by a combination of the grid and the solution. The contributors to the error are identified and approaches to reduce errors are given, including the addition of higher-order terms in the direction of larger mesh spacing. A parameter GAMMA characterizing accuracy on curved high-aspect-ratio grids is discussed and an approximate-mapped-least-square method using a commonly-available distance function is presented; the method provides accurate gradient reconstruction on general grids. The study is intended to be a reference guide accompanying the construction of accurate and efficient methods for high Reynolds number applications
Construction of Covariance Functions with Variable Length Fields
NASA Technical Reports Server (NTRS)
Gaspari, Gregory; Cohn, Stephen E.; Guo, Jing; Pawson, Steven
2005-01-01
This article focuses on construction, directly in physical space, of three-dimensional covariance functions parametrized by a tunable length field, and on an application of this theory to reproduce the Quasi-Biennial Oscillation (QBO) in the Goddard Earth Observing System, Version 4 (GEOS-4) data assimilation system. These Covariance models are referred to as multi-level or nonseparable, to associate them with the application where a multi-level covariance with a large troposphere to stratosphere length field gradient is used to reproduce the QBO from sparse radiosonde observations in the tropical lower stratosphere. The multi-level covariance functions extend well-known single level covariance functions depending only on a length scale. Generalizations of the first- and third-order autoregressive covariances in three dimensions are given, providing multi-level covariances with zero and three derivatives at zero separation, respectively. Multi-level piecewise rational covariances with two continuous derivatives at zero separation are also provided. Multi-level powerlaw covariances are constructed with continuous derivatives of all orders. Additional multi-level covariance functions are constructed using the Schur product of single and multi-level covariance functions. A multi-level powerlaw covariance used to reproduce the QBO in GEOS-4 is described along with details of the assimilation experiments. The new covariance model is shown to represent the vertical wind shear associated with the QBO much more effectively than in the baseline GEOS-4 system.
Analog-to-digital clinical data collection on networked workstations with graphic user interface.
Lunt, D
1991-02-01
An innovative respiratory examination system has been developed that combines physiological response measurement, real-time graphic displays, user-driven operating sequences, and networked file archiving and review into a scientific research and clinical diagnosis tool. This newly constructed computer network is being used to enhance the research center's ability to perform patient pulmonary function examinations. Respiratory data are simultaneously acquired and graphically presented during patient breathing maneuvers and rapidly transformed into graphic and numeric reports, suitable for statistical analysis or database access. The environment consists of the hardware (Macintosh computer, MacADIOS converters, analog amplifiers), the software (HyperCard v2.0, HyperTalk, XCMDs), and the network (AppleTalk, fileservers, printers) as building blocks for data acquisition, analysis, editing, and storage. System operation modules include: Calibration, Examination, Reports, On-line Help Library, Graphic/Data Editing, and Network Storage.
Malbon, Christopher L; Zhu, Xiaolei; Guo, Hua; Yarkony, David R
2016-12-21
For two electronic states coupled by conical intersections, the line integral of the derivative coupling can be used to construct a complex-valued multiplicative phase factor that makes the real-valued adiabatic electronic wave function single-valued, provided that the curl of the derivative coupling is zero. Unfortunately for ab initio determined wave functions, the curl is never rigorously zero. However, when the wave functions are determined from a coupled two diabatic state Hamiltonian H d (fit to ab initio data), the resulting derivative couplings are by construction curl free, except at points of conical intersection. In this work we focus on a recently introduced diabatization scheme that produces the H d by fitting ab initio determined energies, energy gradients, and derivative couplings to the corresponding H d determined quantities in a least squares sense, producing a removable approximation to the ab initio determined derivative coupling. This approach and related numerical issues associated with the nonremovable ab initio derivative couplings are illustrated using a full 33-dimensional representation of phenol photodissociation. The use of this approach to provide a general framework for treating the molecular Aharonov Bohm effect is demonstrated.
Thornton, F J; Du, J; Suleiman, S A; Dieter, R; Tefera, G; Pillai, K R; Korosec, F R; Mistretta, C A; Grist, T M
2006-08-01
To evaluate a novel time-resolved contrast-enhanced (CE) projection reconstruction (PR) magnetic resonance angiography (MRA) method for identifying potential bypass graft target vessels in patients with Class II-IV peripheral vascular disease. Twenty patients (M:F = 15:5, mean age = 58 years, range = 48-83 years), were recruited from routine MRA referrals. All imaging was performed on a 1.5 T MRI system with fast gradients (Signa LX; GE Healthcare, Waukesha, WI). Images were acquired with a novel technique that combined undersampled PR with a time-resolved acquisition to yield an MRA method with high temporal and spatial resolution. The method is called PR hyper time-resolved imaging of contrast kinetics (PR-hyperTRICKS). Quantitative and qualitative analyses were used to compare two-dimensional (2D) time-of-flight (TOF) and PR-hyperTRICKS in 13 arterial segments per lower extremity. Statistical analysis was performed with the Wilcoxon signed-rank test. Fifteen percent (77/517) of the vessels were scored as missing or nondiagnostic with 2D TOF, but were scored as diagnostic with PR-hyperTRICKS. Image quality was superior with PR-hyperTRICKS vs. 2D TOF (on a four-point scale, mean rank = 3.3 +/- 1.2 vs. 2.9 +/- 1.2, P < 0.0001). PR-hyperTRICKS produced images with high contrast-to-noise ratios (CNR) and high spatial and temporal resolution. 2D TOF images were of inferior quality due to moderate spatial resolution, inferior CNR, greater flow-related artifacts, and absence of temporal resolution. PR-hyperTRICKS provides superior preoperative assessment of lower limb ischemia compared to 2D TOF.
NASA Technical Reports Server (NTRS)
Terashima, Nobuyoshi
1994-01-01
In the future, remote images sent over communication lines will be reproduced in virtual reality (VR). This form of virtual telecommunications, which will allow observers to engage in an activity as though it were real, is the focus of considerable attention. Taken a step further, real and unreal objects will be placed in a single space to create an extremely realistic environment. Here, imaginary and other life forms as well as people and animals in remote locations will gather via telecommunication lines that create a common environment where life forms can work and interact together. Words, gestures, diagrams and other forms of communication will be used freely in performing work. Actual construction of a system based on this new concept will not only provide people with experiences that would have been impossible in the past, but will also inspire new applications in which people will function in environments where it would have been difficult if not impossible for them to function until now. This paper describes Tele Hyper Virtuality concept, its definition, applications, the key technologies to accomplish it and future prospects.
States of phage T3/T7 capsids: buoyant density centrifugation and cryo-EM.
Serwer, Philip; Wright, Elena T; Demeler, Borries; Jiang, Wen
2018-04-01
Mature double-stranded DNA bacteriophages have capsids with symmetrical shells that typically resist disruption, as they must to survive in the wild. However, flexibility and associated dynamism assist function. We describe biochemistry-oriented procedures used to find previously obscure flexibility for capsids of the related phages, T3 and T7. The primary procedures are hydration-based buoyant density ultracentrifugation and purified particle-based cryo-electron microscopy (cryo-EM). We review the buoyant density centrifugation in detail. The mature, stable T3/T7 capsid is a shell flexibility-derived conversion product of an initially assembled procapsid (capsid I). During DNA packaging, capsid I expands and loses a scaffolding protein to form capsid II. The following are observations made with capsid II. (1) The in vivo DNA packaging of wild type T3 generates capsid II that has a slight (1.4%), cryo-EM-detected hyper-expansion relative to the mature phage capsid. (2) DNA packaging in some altered conditions generates more extensive hyper-expansion of capsid II, initially detected by hydration-based preparative buoyant density centrifugation in Nycodenz density gradients. (3) Capsid contraction sometimes occurs, e.g., during quantized leakage of DNA from mature T3 capsids without a tail.
Does the HyperCP evidence for the decay Sigma+ -->pmu+mu- indicate a light pseudoscalar Higgs boson?
He, Xiao-Gang; Tandean, Jusak; Valencia, G
2007-02-23
The HyperCP Collaboration has observed three events for the decay Sigma+ -->p mu+mu- which may be interpreted as a new particle of mass 214.3 MeV. However, existing data from kaon and B-meson decays provide stringent constraints on the construction of models that support this interpretation. In this Letter we show that the "HyperCP particle" can be identified with the light pseudoscalar Higgs boson in the next-to-minimal supersymmetric standard model, the A10. In this model there are regions of parameter space where the A10 can satisfy all the existing constraints from kaon and B-meson decays and mediate Sigma+ -->p mu+mu- at a level consistent with the HyperCP observation.
Diagnostic Suite for HyperV Coaxial Plasma Gun Development for the PLX- α Project
NASA Astrophysics Data System (ADS)
Case, Andrew; Brockington, Sam; Witherspoon, F. Douglas
2015-11-01
We present the diagnostic suite to be used during development of the coaxial guns HyperV will deliver to LANL in support of the ARPA-E Accelerating Low-Cost Plasma Heating And Assembly (ALPHA) program. For plasma jet diagnostics this includes fast photodiodes for velocimetry, a ballistic pendulum for measuring total plasmoid momentum, interferometry for line integrated plasma density, deflectometry for line integrated perpendicular density gradient measurements, and spectroscopy, both time resolved high resolution spectroscopy using a novel detector developed by HyperV and time integrated survey spectroscopy, for measurements of velocity and temperature as well as impurities. In addition, we plan to use fast pressure probes for stagnation pressure, a Faraday cup for density, fast imaging for plume geometry and time integrated imaging for overall light emission. A novel low resolution long record length camera developed by HyperV will also be used for plume diagnostics. For diagnostics of gun operation, we will use Rogowski coils to measure current, voltage dividers for voltages, B-dot probes for magnetic field, and time resolved fast photodiodes to measure plasmoid velocity inside the accelerator. This work supported by the ARPA-E ALPHA program.
Gradient Heating Facility. Experiment cartridges. Description and general specifications
NASA Technical Reports Server (NTRS)
Breton, J.
1982-01-01
Specifications that define experiment cartridges that are compatible with the furnace of the gradient heating facility on board the Spacelab are presented. They establish a standard cartridge design independent of the type of experiment to be conducted. By using them, experimenters can design, construct, and test the hot section of the cartridge, known as the high temperature nacelle.
Nested Conjugate Gradient Algorithm with Nested Preconditioning for Non-linear Image Restoration.
Skariah, Deepak G; Arigovindan, Muthuvel
2017-06-19
We develop a novel optimization algorithm, which we call Nested Non-Linear Conjugate Gradient algorithm (NNCG), for image restoration based on quadratic data fitting and smooth non-quadratic regularization. The algorithm is constructed as a nesting of two conjugate gradient (CG) iterations. The outer iteration is constructed as a preconditioned non-linear CG algorithm; the preconditioning is performed by the inner CG iteration that is linear. The inner CG iteration, which performs preconditioning for outer CG iteration, itself is accelerated by an another FFT based non-iterative preconditioner. We prove that the method converges to a stationary point for both convex and non-convex regularization functionals. We demonstrate experimentally that proposed method outperforms the well-known majorization-minimization method used for convex regularization, and a non-convex inertial-proximal method for non-convex regularization functional.
NASA Astrophysics Data System (ADS)
Klinting, Emil Lund; Thomsen, Bo; Godtliebsen, Ian Heide; Christiansen, Ove
2018-02-01
We present an approach to treat sets of general fit-basis functions in a single uniform framework, where the functional form is supplied on input, i.e., the use of different functions does not require new code to be written. The fit-basis functions can be used to carry out linear fits to the grid of single points, which are generated with an adaptive density-guided approach (ADGA). A non-linear conjugate gradient method is used to optimize non-linear parameters if such are present in the fit-basis functions. This means that a set of fit-basis functions with the same inherent shape as the potential cuts can be requested and no other choices with regards to the fit-basis functions need to be taken. The general fit-basis framework is explored in relation to anharmonic potentials for model systems, diatomic molecules, water, and imidazole. The behaviour and performance of Morse and double-well fit-basis functions are compared to that of polynomial fit-basis functions for unsymmetrical single-minimum and symmetrical double-well potentials. Furthermore, calculations for water and imidazole were carried out using both normal coordinates and hybrid optimized and localized coordinates (HOLCs). Our results suggest that choosing a suitable set of fit-basis functions can improve the stability of the fitting routine and the overall efficiency of potential construction by lowering the number of single point calculations required for the ADGA. It is possible to reduce the number of terms in the potential by choosing the Morse and double-well fit-basis functions. These effects are substantial for normal coordinates but become even more pronounced if HOLCs are used.
HyperCard as a Text Analysis Tool for the Qualitative Researcher.
ERIC Educational Resources Information Center
Handler, Marianne G.; Turner, Sandra V.
HyperCard is a general-purpose program for the Macintosh computer that allows multiple ways of viewing and accessing a large body of information. Two ways in which HyperCard can be used as a research tool are illustrated. One way is to organize and analyze qualitative data from observations, interviews, surveys, and other documents. The other way…
Recent developments in LIBXC - A comprehensive library of functionals for density functional theory
NASA Astrophysics Data System (ADS)
Lehtola, Susi; Steigemann, Conrad; Oliveira, Micael J. T.; Marques, Miguel A. L.
2018-01-01
LIBXC is a library of exchange-correlation functionals for density-functional theory. We are concerned with semi-local functionals (or the semi-local part of hybrid functionals), namely local-density approximations, generalized-gradient approximations, and meta-generalized-gradient approximations. Currently we include around 400 functionals for the exchange, correlation, and the kinetic energy, spanning more than 50 years of research. Moreover, LIBXC is by now used by more than 20 codes, not only from the atomic, molecular, and solid-state physics, but also from the quantum chemistry communities.
NASA Astrophysics Data System (ADS)
Liu, J.; Wu, S. P.
2017-04-01
Wall function boundary conditions including the effects of compressibility and heat transfer are improved for compressible turbulent boundary flows. Generalized wall function formulation at zero-pressure gradient is proposed based on coupled velocity and temperature profiles in the entire near-wall region. The parameters in the generalized wall function are well revised. The proposed boundary conditions are integrated into Navier-Stokes computational fluid dynamics code that includes the shear stress transport turbulence model. Numerical results are presented for a compressible boundary layer over a flat plate at zero-pressure gradient. Compared with experimental data, the computational results show that the generalized wall function reduces the first grid spacing in the directed normal to the wall and proves the feasibility and effectivity of the generalized wall function method.
Finite Volume Numerical Methods for Aeroheating Rate Calculations from Infrared Thermographic Data
NASA Technical Reports Server (NTRS)
Daryabeigi, Kamran; Berry, Scott A.; Horvath, Thomas J.; Nowak, Robert J.
2003-01-01
The use of multi-dimensional finite volume numerical techniques with finite thickness models for calculating aeroheating rates from measured global surface temperatures on hypersonic wind tunnel models was investigated. Both direct and inverse finite volume techniques were investigated and compared with the one-dimensional semi -infinite technique. Global transient surface temperatures were measured using an infrared thermographic technique on a 0.333-scale model of the Hyper-X forebody in the Langley Research Center 20-Inch Mach 6 Air tunnel. In these tests the effectiveness of vortices generated via gas injection for initiating hypersonic transition on the Hyper-X forebody were investigated. An array of streamwise orientated heating striations were generated and visualized downstream of the gas injection sites. In regions without significant spatial temperature gradients, one-dimensional techniques provided accurate aeroheating rates. In regions with sharp temperature gradients due to the striation patterns two-dimensional heat transfer techniques were necessary to obtain accurate heating rates. The use of the one-dimensional technique resulted in differences of 20% in the calculated heating rates because it did not account for lateral heat conduction in the model.
1969-09-10
The Hyper III was a low-cost test vehicle for an advanced lifting-body shape. Like the earlier M2-F1, it was a "homebuilt" research aircraft, i.e., built at the Flight Research Center (FRC), later redesignated the Dryden Flight Research Center. It had a steel-tube frame covered with Dacron, a fiberglass nose, sheet aluminum fins, and a wing from an HP-11 sailplane. Construction was by volunteers at the FRC. Although the Hyper III was to be flown remotely in its initial tests, it was fitted with a cockpit for a pilot. On the Hyper III's only flight, it was towed aloft attached to a Navy SH-3 helicopter by a 400-foot cable. NASA research pilot Bruce Peterson flew the SH-3. After he released the Hyper III from the cable, NASA research pilot Milt Thompson flew the vehicle by radio control until the final approach when Dick Fischer took over control using a model-airplane radio-control box. The Hyper III flared, then landed and slid to a stop on Rogers Dry Lakebed.
NASA Astrophysics Data System (ADS)
Devakar, M.; Raje, Ankush
2018-05-01
The unsteady flow of two immiscible micropolar and Newtonian fluids through a horizontal channel is considered. In addition to the classical no-slip and hyper-stick conditions at the boundary, it is assumed that the fluid velocities and shear stresses are continuous across the fluid-fluid interface. Three cases for the applied pressure gradient are considered to study the problem: one with constant pressure gradient and the other two cases with time-dependent pressure gradients, viz. periodic and decaying pressure gradient. The Crank-Nicolson approach has been used to obtain numerical solutions for fluid velocity and microrotation for diverse sets of fluid parameters. The nature of fluid velocities and microrotation with various values of pressure gradient, Reynolds number, ratio of viscosities, micropolarity parameter and time is illustrated through graphs. It has been observed that micropolarity parameter and ratio of viscosities reduce the fluid velocities.
Sabar, Nasser R; Ayob, Masri; Kendall, Graham; Qu, Rong
2015-02-01
Hyper-heuristics are search methodologies that aim to provide high-quality solutions across a wide variety of problem domains, rather than developing tailor-made methodologies for each problem instance/domain. A traditional hyper-heuristic framework has two levels, namely, the high level strategy (heuristic selection mechanism and the acceptance criterion) and low level heuristics (a set of problem specific heuristics). Due to the different landscape structures of different problem instances, the high level strategy plays an important role in the design of a hyper-heuristic framework. In this paper, we propose a new high level strategy for a hyper-heuristic framework. The proposed high-level strategy utilizes a dynamic multiarmed bandit-extreme value-based reward as an online heuristic selection mechanism to select the appropriate heuristic to be applied at each iteration. In addition, we propose a gene expression programming framework to automatically generate the acceptance criterion for each problem instance, instead of using human-designed criteria. Two well-known, and very different, combinatorial optimization problems, one static (exam timetabling) and one dynamic (dynamic vehicle routing) are used to demonstrate the generality of the proposed framework. Compared with state-of-the-art hyper-heuristics and other bespoke methods, empirical results demonstrate that the proposed framework is able to generalize well across both domains. We obtain competitive, if not better results, when compared to the best known results obtained from other methods that have been presented in the scientific literature. We also compare our approach against the recently released hyper-heuristic competition test suite. We again demonstrate the generality of our approach when we compare against other methods that have utilized the same six benchmark datasets from this test suite.
Singh, Milind; Dormer, Nathan; Salash, Jean R.; Christian, Jordan M.; Moore, David S.; Berkland, Cory; Detamore, Michael S.
2010-01-01
A novel approach has been demonstrated to construct biocompatible, macroporous 3-D tissue engineering scaffolds containing a continuous macroscopic gradient in composition that yields a stiffness gradient along the axis of the scaffold. Polymeric microspheres, made of poly(d,l-lactic-co-glycolic acid) (PLGA), and composite microspheres encapsulating a higher stiffness nano-phase material (PLGA encapsulating CaCO3 or TiO2 nanoparticles) were used for the construction of microsphere-based scaffolds. Using controlled infusion of polymeric and composite microspheres, gradient scaffolds displaying an anisotropic macroscopic distribution of CaCO3/TiO2 were fabricated via an ethanol sintering technique. The controllable mechanical characteristics and biocompatible nature of these scaffolds warrants further investigation for interfacial tissue engineering applications. PMID:20336753
Hosseinbor, A. Pasha; Chung, Moo K.; Koay, Cheng Guan; Schaefer, Stacey M.; van Reekum, Carien M.; Schmitz, Lara Peschke; Sutterer, Matt; Alexander, Andrew L.; Davidson, Richard J.
2015-01-01
Image-based parcellation of the brain often leads to multiple disconnected anatomical structures, which pose significant challenges for analyses of morphological shapes. Existing shape models, such as the widely used spherical harmonic (SPHARM) representation, assume topological invariance, so are unable to simultaneously parameterize multiple disjoint structures. In such a situation, SPHARM has to be applied separately to each individual structure. We present a novel surface parameterization technique using 4D hyperspherical harmonics in representing multiple disjoint objects as a single analytic function, terming it HyperSPHARM. The underlying idea behind Hyper-SPHARM is to stereographically project an entire collection of disjoint 3D objects onto the 4D hypersphere and subsequently simultaneously parameterize them with the 4D hyperspherical harmonics. Hence, HyperSPHARM allows for a holistic treatment of multiple disjoint objects, unlike SPHARM. In an imaging dataset of healthy adult human brains, we apply HyperSPHARM to the hippocampi and amygdalae. The HyperSPHARM representations are employed as a data smoothing technique, while the HyperSPHARM coefficients are utilized in a support vector machine setting for object classification. HyperSPHARM yields nearly identical results as SPHARM, as will be shown in the paper. Its key advantage over SPHARM lies computationally; Hyper-SPHARM possess greater computational efficiency than SPHARM because it can parameterize multiple disjoint structures using much fewer basis functions and stereographic projection obviates SPHARM's burdensome surface flattening. In addition, HyperSPHARM can handle any type of topology, unlike SPHARM, whose analysis is confined to topologically invariant structures. PMID:25828650
Superconformal quantum field theory in curved spacetime
NASA Astrophysics Data System (ADS)
de Medeiros, Paul; Hollands, Stefan
2013-09-01
By conformally coupling vector and hyper multiplets in Minkowski space, we obtain a class of field theories with extended rigid conformal supersymmetry on any Lorentzian 4-manifold admitting twistor spinors. We construct the conformal symmetry superalgebras which describe classical symmetries of these theories and derive an appropriate BRST operator in curved spacetime. In the process, we elucidate the general framework of cohomological algebra which underpins the construction. We then consider the corresponding perturbative quantum field theories. In particular, we examine the conditions necessary for conformal supersymmetries to be preserved at the quantum level, i.e. when the BRST operator commutes with the perturbatively defined S-matrix, which ensures superconformal invariance of amplitudes. To this end, we prescribe a renormalization scheme for time-ordered products that enter the perturbative S-matrix and show that such products obey certain Ward identities in curved spacetime. These identities allow us to recast the problem in terms of the cohomology of the BRST operator. Through a careful analysis of this cohomology, and of the renormalization group in curved spacetime, we establish precise criteria which ensure that all conformal supersymmetries are preserved at the quantum level. As a by-product, we provide a rigorous proof that the beta-function for such theories is one-loop exact. We also briefly discuss the construction of chiral rings and the role of non-perturbative effects in curved spacetime.
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
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
Gradient-based model calibration with proxy-model assistance
NASA Astrophysics Data System (ADS)
Burrows, Wesley; Doherty, John
2016-02-01
Use of a proxy model in gradient-based calibration and uncertainty analysis of a complex groundwater model with large run times and problematic numerical behaviour is described. The methodology is general, and can be used with models of all types. The proxy model is based on a series of analytical functions that link all model outputs used in the calibration process to all parameters requiring estimation. In enforcing history-matching constraints during the calibration and post-calibration uncertainty analysis processes, the proxy model is run for the purposes of populating the Jacobian matrix, while the original model is run when testing parameter upgrades; the latter process is readily parallelized. Use of a proxy model in this fashion dramatically reduces the computational burden of complex model calibration and uncertainty analysis. At the same time, the effect of model numerical misbehaviour on calculation of local gradients is mitigated, this allowing access to the benefits of gradient-based analysis where lack of integrity in finite-difference derivatives calculation would otherwise have impeded such access. Construction of a proxy model, and its subsequent use in calibration of a complex model, and in analysing the uncertainties of predictions made by that model, is implemented in the PEST suite.
Gradient optimization and nonlinear control
NASA Technical Reports Server (NTRS)
Hasdorff, L.
1976-01-01
The book represents an introduction to computation in control by an iterative, gradient, numerical method, where linearity is not assumed. The general language and approach used are those of elementary functional analysis. The particular gradient method that is emphasized and used is conjugate gradient descent, a well known method exhibiting quadratic convergence while requiring very little more computation than simple steepest descent. Constraints are not dealt with directly, but rather the approach is to introduce them as penalty terms in the criterion. General conjugate gradient descent methods are developed and applied to problems in control.
Li, Shaohong L; Truhlar, Donald G
2015-07-14
Time-dependent density functional theory (TDDFT) with conventional local and hybrid functionals such as the local and hybrid generalized gradient approximations (GGA) seriously underestimates the excitation energies of Rydberg states, which limits its usefulness for applications such as spectroscopy and photochemistry. We present here a scheme that modifies the exchange-enhancement factor to improve GGA functionals for Rydberg excitations within the TDDFT framework while retaining their accuracy for valence excitations and for the thermochemical energetics calculated by ground-state density functional theory. The scheme is applied to a popular hybrid GGA functional and tested on data sets of valence and Rydberg excitations and atomization energies, and the results are encouraging. The scheme is simple and flexible. It can be used to correct existing functionals, and it can also be used as a strategy for the development of new functionals.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Li, Shaohong L.; Truhlar, Donald G.
Time-dependent density functional theory (TDDFT) with conventional local and hybrid functionals such as the local and hybrid generalized gradient approximations (GGA) seriously underestimates the excitation energies of Rydberg states, which limits its usefulness for applications such as spectroscopy and photochemistry. We present here a scheme that modifies the exchange-enhancement factor to improve GGA functionals for Rydberg excitations within the TDDFT framework while retaining their accuracy for valence excitations and for the thermochemical energetics calculated by ground-state density functional theory. The scheme is applied to a popular hybrid GGA functional and tested on data sets of valence and Rydberg excitations andmore » atomization energies, and the results are encouraging. The scheme is simple and flexible. It can be used to correct existing functionals, and it can also be used as a strategy for the development of new functionals.« less
Li, Shaohong L.; Truhlar, Donald G.
2015-05-22
Time-dependent density functional theory (TDDFT) with conventional local and hybrid functionals such as the local and hybrid generalized gradient approximations (GGA) seriously underestimates the excitation energies of Rydberg states, which limits its usefulness for applications such as spectroscopy and photochemistry. We present here a scheme that modifies the exchange-enhancement factor to improve GGA functionals for Rydberg excitations within the TDDFT framework while retaining their accuracy for valence excitations and for the thermochemical energetics calculated by ground-state density functional theory. The scheme is applied to a popular hybrid GGA functional and tested on data sets of valence and Rydberg excitations andmore » atomization energies, and the results are encouraging. The scheme is simple and flexible. It can be used to correct existing functionals, and it can also be used as a strategy for the development of new functionals.« less
NASA Astrophysics Data System (ADS)
Li, Ping; Wang, Weiwei; Zhang, Chenxi; An, Yong; Song, Zhijian
2016-07-01
Intraoperative brain retraction leads to a misalignment between the intraoperative positions of the brain structures and their previous positions, as determined from preoperative images. In vitro swine brain sample uniaxial tests showed that the mechanical response of brain tissue to compression and extension could be described by the hyper-viscoelasticity theory. The brain retraction caused by the mechanical process is a combination of brain tissue compression and extension. In this paper, we first constructed a hyper-viscoelastic framework based on the extended finite element method (XFEM) to simulate intraoperative brain retraction. To explore its effectiveness, we then applied this framework to an in vivo brain retraction simulation. The simulation strictly followed the clinical scenario, in which seven swine were subjected to brain retraction. Our experimental results showed that the hyper-viscoelastic XFEM framework is capable of simulating intraoperative brain retraction and improving the navigation accuracy of an image-guided neurosurgery system (IGNS).
Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals.
Furness, James W; Verbeke, Joachim; Tellgren, Erik I; Stopkowicz, Stella; Ekström, Ulf; Helgaker, Trygve; Teale, Andrew M
2015-09-08
We present the self-consistent implementation of current-dependent (hybrid) meta-generalized gradient approximation (mGGA) density functionals using London atomic orbitals. A previously proposed generalized kinetic energy density is utilized to implement mGGAs in the framework of Kohn-Sham current density functional theory (KS-CDFT). A unique feature of the nonperturbative implementation of these functionals is the ability to seamlessly explore a wide range of magnetic fields up to 1 au (∼235 kT) in strength. CDFT functionals based on the TPSS and B98 forms are investigated, and their performance is assessed by comparison with accurate coupled-cluster singles, doubles, and perturbative triples (CCSD(T)) data. In the weak field regime, magnetic properties such as magnetizabilities and nuclear magnetic resonance shielding constants show modest but systematic improvements over generalized gradient approximations (GGA). However, in the strong field regime, the mGGA-based forms lead to a significantly improved description of the recently proposed perpendicular paramagnetic bonding mechanism, comparing well with CCSD(T) data. In contrast to functionals based on the vorticity, these forms are found to be numerically stable, and their accuracy at high field suggests that the extension of mGGAs to CDFT via the generalized kinetic energy density should provide a useful starting point for further development of CDFT approximations.
NASA Astrophysics Data System (ADS)
El-Kader, M. S. A.; Godet, J.-L.; Gustafsson, M.; Maroulis, G.
2018-04-01
Quantum mechanical lineshapes of collision-induced absorption (CIA), collision-induced light scattering (CILS) and collision-induced hyper-Rayleigh scattering (CIHR) at room temperature (295 K) are computed for gaseous mixtures of molecular hydrogen with neon, krypton and xenon. The induced spectra are detected using theoretical values for induced dipole moment, pair-polarizability trace and anisotropy, hyper-polarizability and updated intermolecular potentials. Good agreement is observed for all spectra when the literature and the present potentials which are constructed from the transport and thermo-physical properties are used.
NASA Technical Reports Server (NTRS)
Engelund, Walter C.; Holland, Scott D.; Cockrell, Charles E., Jr.; Bittner, Robert D.
1999-01-01
NASA's Hyper-X Research Vehicle will provide a unique opportunity to obtain data on an operational airframe integrated scramjet propulsion system at true flight conditions. The airframe integrated nature of the scramjet engine with the Hyper-X vehicle results in a strong coupling effect between the propulsion system operation and the airframe s basic aerodynamic characteristics. Comments on general airframe integrated scramjet propulsion system effects on vehicle aerodynamic performance, stability, and control are provided, followed by examples specific to the Hyper-X research vehicle. An overview is provided of the current activities associated with the development of the Hyper-X aerodynamic database, including wind tunnel test activities and parallel CFD analysis efforts. A brief summary of the Hyper-X aerodynamic characteristics is provided, including the direct and indirect effects of the airframe integrated scramjet propulsion system operation on the basic airframe stability and control characteristics.
Bulcun, Emel; Arslan, Mesut; Ekici, Aydanur; Ekici, Mehmet
2015-11-01
Bronchiectasis can adversely affect quality of life. However, the tests examining quality of life in bronchiectasis are not sufficient. We examined the validity of a measure designed for COPD, the Seattle Obstructive Lung Disease Questionnaire (SOLQ), in bronchiectasis. In addition, we aimed to compare the quality of life of subjects with bronchiectasis and bronchial hyper-responsiveness with that of those without to identify the effective factors. We studied 78 subjects with clinically stable bronchiectasis and 41 healthy controls matched for age and sex. Subjects were assessed by the SOLQ. A detailed history, physical examination, the Medical Outcomes Study 36-Item Short Form questionnaire, the Hospital Anxiety and Depression Scale, and spirometric measurements were obtained. Cronbach α coefficients, which reflected internal consistency, were >0.70 for all SOLQ components except for treatment satisfaction. SOLQ component scores correlated with all of the component scores of the Medical Outcomes Study 36-Item Short Form questionnaire and the Hospital Anxiety and Depression Scale, confirming their concurrent validity. All SOLQ scores correlated positively with percent-of-predicted FEV1, whereas the physical function, treatment satisfaction, and emotional function correlated negatively with the exacerbation frequency in Pearson analysis. Emotional and physical functions were positively associated with percent-of-predicted FEV1 in linear regression analysis. Compared with subjects without bronchial hyper-responsiveness, those with bronchial hyper-responsiveness had lower FEV1/FVC and more exacerbations/y. Compared with bronchiectasis subjects without bronchial hyper-responsiveness, those with bronchial hyper-responsiveness had significantly lower SOLQ, physical function, and coping skills scores but not emotional function and treatment satisfaction. The SOLQ is a valid instrument for determining quality of life in subjects with bronchiectasis. Subjects with bronchiectasis and bronchial hyper-responsiveness had a poorer quality of life, lower baseline spirometric values, and more frequent exacerbations, suggesting more severe disease. Copyright © 2015 by Daedalus Enterprises.
Phase-field modeling of isothermal quasi-incompressible multicomponent liquids
NASA Astrophysics Data System (ADS)
Tóth, Gyula I.
2016-09-01
In this paper general dynamic equations describing the time evolution of isothermal quasi-incompressible multicomponent liquids are derived in the framework of the classical Ginzburg-Landau theory of first order phase transformations. Based on the fundamental equations of continuum mechanics, a general convection-diffusion dynamics is set up first for compressible liquids. The constitutive relations for the diffusion fluxes and the capillary stress are determined in the framework of gradient theories. Next the general definition of incompressibility is given, which is taken into account in the derivation by using the Lagrange multiplier method. To validate the theory, the dynamic equations are solved numerically for the quaternary quasi-incompressible Cahn-Hilliard system. It is demonstrated that variable density (i) has no effect on equilibrium (in case of a suitably constructed free energy functional) and (ii) can influence nonequilibrium pattern formation significantly.
Johnson, Margaret E.; Hummer, Gerhard
2012-01-01
We explore the theoretical foundation of different string methods used to find dominant reaction pathways in high-dimensional configuration spaces. Pathways are assessed by the amount of reactive flux they carry and by their orientation relative to the committor function. By examining the effects of transforming between different collective coordinates that span the same underlying space, we unmask artificial coordinate dependences in strings optimized to follow the free energy gradient. In contrast, strings optimized to follow the drift vector produce reaction pathways that are significantly less sensitive to reparameterizations of the collective coordinates. The differences in these paths arise because the drift vector depends on both the free energy gradient and the diffusion tensor of the coarse collective variables. Anisotropy and position dependence of diffusion tensors arise commonly in spaces of coarse variables, whose generally slow dynamics are obtained by nonlinear projections of the strongly coupled atomic motions. We show here that transition paths constructed to account for dynamics by following the drift vector will (to a close approximation) carry the maximum reactive flux both in systems with isotropic position dependent diffusion, and in systems with constant but anisotropic diffusion. We derive a simple method for calculating the committor function along paths that follow the reactive flux. Lastly, we provide guidance for the practical implementation of the dynamic string method. PMID:22616575
Gedanken densities and exact constraints in density functional theory.
Perdew, John P; Ruzsinszky, Adrienn; Sun, Jianwei; Burke, Kieron
2014-05-14
Approximations to the exact density functional for the exchange-correlation energy of a many-electron ground state can be constructed by satisfying constraints that are universal, i.e., valid for all electron densities. Gedanken densities are designed for the purpose of this construction, but need not be realistic. The uniform electron gas is an old gedanken density. Here, we propose a spherical two-electron gedanken density in which the dimensionless density gradient can be an arbitrary positive constant wherever the density is non-zero. The Lieb-Oxford lower bound on the exchange energy can be satisfied within a generalized gradient approximation (GGA) by bounding its enhancement factor or simplest GGA exchange-energy density. This enhancement-factor bound is well known to be sufficient, but our gedanken density shows that it is also necessary. The conventional exact exchange-energy density satisfies no such local bound, but energy densities are not unique, and the simplest GGA exchange-energy density is not an approximation to it. We further derive a strongly and optimally tightened bound on the exchange enhancement factor of a two-electron density, which is satisfied by the local density approximation but is violated by all published GGA's or meta-GGA's. Finally, some consequences of the non-uniform density-scaling behavior for the asymptotics of the exchange enhancement factor of a GGA or meta-GGA are given.
NASA Astrophysics Data System (ADS)
Kavimani, M.; Balachandran, V.; Narayana, B.; Vanasundari, K.; Revathi, B.
2018-02-01
Experimental FT-IR and FT-Raman spectra of 2-methylphenylacetic acid (MPA) were recorded and theoretical values are also analyzed. The non-linear optical (NLO) properties were evaluated by determination of first (5.5053 × 10- 30 e.s.u.) and second hyper-polarizabilities (7.6833 × 10- 36 e.s.u.) of the title compound. The Multiwfn package is used to find the weak non-covalent interaction (Van der Wall interaction) and strong repulsion (steric effect) of the molecule and examined by reduced density gradient. The molecular electrostatic potential (MEP) analysis used to find the most reactive sites for the electrophilic and nucleophilic attack. The chemical activity (electronegativity, hardness, chemical softness and chemical potential) of the title compound was predicted with the help of HOMO-LUMO energy values. The natural bond orbital (NBO) has been analyzed the stability of the molecule arising from the hyper-conjugative interaction. DSSCs were discussed in structural modifications that improve the electron injection efficiency of the title compound (MPA). The Fukui functions are calculated in order to get information associated with the local reactivity properties of the title compound. The binding sites of the two receptors were reported by molecular docking field and active site bond distance is same 1.9 Å. The inhibitor of the title compound forms a stable complex with 1QYV and 2H1K proteins at the binding energies are - 5.38 and - 5.85 (Δ G in kcal/mol).
On the Convergence Analysis of the Optimized Gradient Method.
Kim, Donghwan; Fessler, Jeffrey A
2017-01-01
This paper considers the problem of unconstrained minimization of smooth convex functions having Lipschitz continuous gradients with known Lipschitz constant. We recently proposed the optimized gradient method for this problem and showed that it has a worst-case convergence bound for the cost function decrease that is twice as small as that of Nesterov's fast gradient method, yet has a similarly efficient practical implementation. Drori showed recently that the optimized gradient method has optimal complexity for the cost function decrease over the general class of first-order methods. This optimality makes it important to study fully the convergence properties of the optimized gradient method. The previous worst-case convergence bound for the optimized gradient method was derived for only the last iterate of a secondary sequence. This paper provides an analytic convergence bound for the primary sequence generated by the optimized gradient method. We then discuss additional convergence properties of the optimized gradient method, including the interesting fact that the optimized gradient method has two types of worstcase functions: a piecewise affine-quadratic function and a quadratic function. These results help complete the theory of an optimal first-order method for smooth convex minimization.
On the Convergence Analysis of the Optimized Gradient Method
Kim, Donghwan; Fessler, Jeffrey A.
2016-01-01
This paper considers the problem of unconstrained minimization of smooth convex functions having Lipschitz continuous gradients with known Lipschitz constant. We recently proposed the optimized gradient method for this problem and showed that it has a worst-case convergence bound for the cost function decrease that is twice as small as that of Nesterov’s fast gradient method, yet has a similarly efficient practical implementation. Drori showed recently that the optimized gradient method has optimal complexity for the cost function decrease over the general class of first-order methods. This optimality makes it important to study fully the convergence properties of the optimized gradient method. The previous worst-case convergence bound for the optimized gradient method was derived for only the last iterate of a secondary sequence. This paper provides an analytic convergence bound for the primary sequence generated by the optimized gradient method. We then discuss additional convergence properties of the optimized gradient method, including the interesting fact that the optimized gradient method has two types of worstcase functions: a piecewise affine-quadratic function and a quadratic function. These results help complete the theory of an optimal first-order method for smooth convex minimization. PMID:28461707
Biologically-inspired data decorrelation for hyper-spectral imaging
NASA Astrophysics Data System (ADS)
Picon, Artzai; Ghita, Ovidiu; Rodriguez-Vaamonde, Sergio; Iriondo, Pedro Ma; Whelan, Paul F.
2011-12-01
Hyper-spectral data allows the construction of more robust statistical models to sample the material properties than the standard tri-chromatic color representation. However, because of the large dimensionality and complexity of the hyper-spectral data, the extraction of robust features (image descriptors) is not a trivial issue. Thus, to facilitate efficient feature extraction, decorrelation techniques are commonly applied to reduce the dimensionality of the hyper-spectral data with the aim of generating compact and highly discriminative image descriptors. Current methodologies for data decorrelation such as principal component analysis (PCA), linear discriminant analysis (LDA), wavelet decomposition (WD), or band selection methods require complex and subjective training procedures and in addition the compressed spectral information is not directly related to the physical (spectral) characteristics associated with the analyzed materials. The major objective of this article is to introduce and evaluate a new data decorrelation methodology using an approach that closely emulates the human vision. The proposed data decorrelation scheme has been employed to optimally minimize the amount of redundant information contained in the highly correlated hyper-spectral bands and has been comprehensively evaluated in the context of non-ferrous material classification
Cation exchange properties of zeolites in hyper alkaline aqueous media.
Van Tendeloo, Leen; de Blochouse, Benny; Dom, Dirk; Vancluysen, Jacqueline; Snellings, Ruben; Martens, Johan A; Kirschhock, Christine E A; Maes, André; Breynaert, Eric
2015-02-03
Construction of multibarrier concrete based waste disposal sites and management of alkaline mine drainage water requires cation exchangers combining excellent sorption properties with a high stability and predictable performance in hyper alkaline media. Though highly selective organic cation exchange resins have been developed for most pollutants, they can serve as a growth medium for bacterial proliferation, impairing their long-term stability and introducing unpredictable parameters into the evolution of the system. Zeolites represent a family of inorganic cation exchangers, which naturally occur in hyper alkaline conditions and cannot serve as an electron donor or carbon source for microbial proliferation. Despite their successful application as industrial cation exchangers under near neutral conditions, their performance in hyper alkaline, saline water remains highly undocumented. Using Cs(+) as a benchmark element, this study aims to assess the long-term cation exchange performance of zeolites in concrete derived aqueous solutions. Comparison of their exchange properties in alkaline media with data obtained in near neutral solutions demonstrated that the cation exchange selectivity remains unaffected by the increased hydroxyl concentration; the cation exchange capacity did however show an unexpected increase in hyper alkaline media.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhu, Xiaolei, E-mail: virtualzx@gmail.com; Yarkony, David R., E-mail: yarkony@jhu.edu
2014-11-07
For conical intersections of two states (I,J = I + 1) the vectors defining the branching or g-h plane, the energy difference gradient vector g{sup I,J}, and the interstate coupling vector h{sup I,J}, can be made orthogonal by a one parameter rotation of the degenerate electronic eigenstates. The representation obtained from this rotation is used to construct the parameters that describe the vicinity of the conical intersection seam, the conical parameters, s{sup I,J}{sub x} (R), s{sup I,J}{sub y} (R), g{sup I,J}(R), and h{sup I,J}(R). As a result of the orthogonalization these parameters can be made continuous functions of R, themore » internuclear coordinates. In this work we generalize this notion to construct continuous parametrizations of conical intersection seams of three or more states. The generalization derives from a recently introduced procedure for using non-degenerate electronic states to construct coupled diabatic states that represent adiabatic states coupled by conical intersections. The procedure is illustrated using the seam of conical intersections of three states in parazolyl as an example.« less
Li, Ji; Hu, Guoqing; Zhou, Yonghong; Zou, Chong; Peng, Wei; Alam Sm, Jahangir
2016-10-14
A piezo-resistive pressure sensor is made of silicon, the nature of which is considerably influenced by ambient temperature. The effect of temperature should be eliminated during the working period in expectation of linear output. To deal with this issue, an approach consists of a hybrid kernel Least Squares Support Vector Machine (LSSVM) optimized by a chaotic ions motion algorithm presented. To achieve the learning and generalization for excellent performance, a hybrid kernel function, constructed by a local kernel as Radial Basis Function (RBF) kernel, and a global kernel as polynomial kernel is incorporated into the Least Squares Support Vector Machine. The chaotic ions motion algorithm is introduced to find the best hyper-parameters of the Least Squares Support Vector Machine. The temperature data from a calibration experiment is conducted to validate the proposed method. With attention on algorithm robustness and engineering applications, the compensation result shows the proposed scheme outperforms other compared methods on several performance measures as maximum absolute relative error, minimum absolute relative error mean and variance of the averaged value on fifty runs. Furthermore, the proposed temperature compensation approach lays a foundation for more extensive research.
The discrete adjoint method for parameter identification in multibody system dynamics.
Lauß, Thomas; Oberpeilsteiner, Stefan; Steiner, Wolfgang; Nachbagauer, Karin
2018-01-01
The adjoint method is an elegant approach for the computation of the gradient of a cost function to identify a set of parameters. An additional set of differential equations has to be solved to compute the adjoint variables, which are further used for the gradient computation. However, the accuracy of the numerical solution of the adjoint differential equation has a great impact on the gradient. Hence, an alternative approach is the discrete adjoint method , where the adjoint differential equations are replaced by algebraic equations. Therefore, a finite difference scheme is constructed for the adjoint system directly from the numerical time integration method. The method provides the exact gradient of the discretized cost function subjected to the discretized equations of motion.
ERIC Educational Resources Information Center
Page, Damien
2014-01-01
This article presents findings from a study of heads of construction schools within 14 further education colleges. Moving from a culture of hyper-masculinity, of tough, dirty work, construction lecturers and managers have to renegotiate their identity and work practices to become congruent with the inclusiveness of further education, leaving…
Finite Volume Numerical Methods for Aeroheating Rate Calculations from Infrared Thermographic Data
NASA Technical Reports Server (NTRS)
Daryabeigi, Kamran; Berry, Scott A.; Horvath, Thomas J.; Nowak, Robert J.
2006-01-01
The use of multi-dimensional finite volume heat conduction techniques for calculating aeroheating rates from measured global surface temperatures on hypersonic wind tunnel models was investigated. Both direct and inverse finite volume techniques were investigated and compared with the standard one-dimensional semi-infinite technique. Global transient surface temperatures were measured using an infrared thermographic technique on a 0.333-scale model of the Hyper-X forebody in the NASA Langley Research Center 20-Inch Mach 6 Air tunnel. In these tests the effectiveness of vortices generated via gas injection for initiating hypersonic transition on the Hyper-X forebody was investigated. An array of streamwise-orientated heating striations was generated and visualized downstream of the gas injection sites. In regions without significant spatial temperature gradients, one-dimensional techniques provided accurate aeroheating rates. In regions with sharp temperature gradients caused by striation patterns multi-dimensional heat transfer techniques were necessary to obtain more accurate heating rates. The use of the one-dimensional technique resulted in differences of 20% in the calculated heating rates compared to 2-D analysis because it did not account for lateral heat conduction in the model.
Toxoplasmosis Presenting as Hyper Viscosity Syndrome due to Polyclonal Gammopathy.
Puranik, Shaila C; Rathod, Kalpana B; Kudrimoti, Jyoti K
2014-03-01
We are presenting a rare case of toxoplasma lymphadenopathy with hyper viscosity syndrome due to polyclonal gammopathy. A 30 year old female presented with generalized lymphadenopathy. Lymph node biopsy findings suggestive of toxoplasmosis were confirmed on serology. Bone marrow aspiration showed 50 % plasma cells. On serum electrophoresis broad, diffuse band noted, indicative of polyclonal gammopathy. M band was absent. The patient was immunocompetent and presented with hyper viscosity syndrome masking the symptoms of underlying toxoplasmosis.
Refined gradient theory of scale-dependent superthin rods
NASA Astrophysics Data System (ADS)
Lurie, S. A.; Kuznetsova, E. L.; Rabinskii, L. N.; Popova, E. I.
2015-03-01
A version of the refined nonclassical theory of thin beams whose thickness is comparable with the scale characteristic of the material structure is constructed on the basis of the gradient theory of elasticity which, in contrast to the classical theory, contains some additional physical characteristics depending on the structure scale parameters and is therefore most appropriate for modeling the strains of scale-dependent systems. The fundamental conditions for the well-posedness of the gradient theories are obtained for the first time, and it is shown that some of the known applied gradient theories do not generally satisfy the well-posedness criterion. A version of the well-posed gradient strain theory which satisfies the symmetry condition is proposed. The well-posed gradient theory is then used to implement the method of kinematic hypotheses for constructing a refined theory of scale-dependent beams. The equilibrium equations of the refined theory of scale-dependent Timoshenko and Bernoulli beams are obtained. It is shown that the scale effects are localized near the beam ends, and therefore, taking the scale effects into account does not give any correction to the bending rigidity of long beams as noted in the previously published papers dealing with the scale-dependent beams.
Cámara, Beatriz; Suzuki, Shino; Nealson, Kenneth H; Wierzchos, Jacek; Ascaso, Carmen; Artieda, Octavio; de los Ríos, Asunción
2014-12-01
This study explores the photosynthetic microbial colonization of rhyolitic ignimbrites in Lomas de Tilocalar, a hyper-arid region of the Atacama Desert, Chile. Colonization appeared in the form of a green layer a few millimeters beneath the ignimbrite surface. Some ignimbrite rocks revealed two distinct micromorphological areas of identical mineralogical and chemical composition but different textural properties. According to texture, colonization patterns varied in terms of the extension and depth of colonization. The diversity of photosynthetic microorganisms was assessed by denaturing gradient gel electrophoresis (DGGE) of the 23S rRNA gene and by generating clone libraries of the 16S rRNA gene. We observed a low diversity of photosynthetic microorganisms colonizing the ignimbrite microhabitat. Most rRNA gene sequences recovered greatly resembled those of Chroococcidiopsis hypolith clones from arid deserts. These results point to highly restrictive conditions of the hyper-arid Atacama Desert conditioning the diversity of cyanobacteria, and suggest that microbial colonization and composition patterns might be determined by the microscale physico-chemical properties of the ignimbrite rocks. Copyright© by the Spanish Society for Microbiology and Institute for Catalan Studies.
Merging the Internet and Hypermedia in the English Language Arts.
ERIC Educational Resources Information Center
Reed, W. Michael; Wells, John G.
1997-01-01
Discussion of hypermedia and computer-mediated communication focuses on a project that merges a language arts Internet resource with a hypermedia-based knowledge construction approach to learning. Highlights include constructing a HyperCard-based program on Shakespeare's "Hamlet," gophers and search engines, downloading, collaborative…
Li, Ran; Jiao, Nianzhi; Warren, Alan; Xu, Dapeng
2018-04-01
Protists make up an important component of aquatic ecosystems, playing crucial roles in biogeochemical processes on local and global scales. To reveal the changes of diversity and community structure of protists along the salinity gradients, community compositions of active protistan assemblages were characterized along a transect from the lower Pearl River estuary to the open waters of the South China Sea (SCS), using high-throughput sequencing of the hyper-variable V9 regions of 18S rRNA. This study showed that the alpha diversity of protists, both in the freshwater and in the coastal SCS stations was higher than that in the estuary. The protist community structure also changed along the salinity gradient. The relative sequence abundance of Stramenopiles was highest at stations with lower salinity and decreased with the increasing of salinity. By contrast, the contributions of Alveolata, Hacrobia and Rhizaria to the protistan communities generally increased with the increasing of salinity. The composition of the active protistan community was strongly correlated with salinity, indicating that salinity was the dominant factor among measured environmental parameters affecting protistan community composition and structure. Copyright © 2018 Elsevier GmbH. All rights reserved.
Space agriculture for habitation on Mars with hyper-thermophilic aerobic composting bacteria
NASA Astrophysics Data System (ADS)
Space Agriculture Task Force; Ishikawa, Y.; Tomita-Yokotani, K.; Hashimoto, H.; Kitaya, Y.; Yamashita, M.; Nagatomo, M.; Oshima, T.; Wada, H.
Manned Mars exploration, especially for extended periods of time, will require recycle of materials to support human life. Here, a conceptual design is developed for a Martian agricultural system driven by biologically regenerative functions. One of the core biotechnologies function is the use of hyper-thermophilic aerobic composting bacterial ecology. These thermophilic bacteria can play an important role in increasing the effectiveness of the processing of human metabolic waste and inedible biomass and of converting them to fertilizer for the cultivation of plants. This microbial technology has been already well established for the purpose of processing sewage and waste materials for small local communities in Japan. One of the characteristics of the technology is that the metabolic heat release that occurs during bacterial fermentation raises the processing temperature sufficiently high at 80 100 °C to support hyper-thermophilic bacteria. Such a hyper-thermophilic system is found to have great capability of decomposing wastes including even their normally recalcitrant components, in a reasonably short period of time and of providing a better quality of fertilizer as an end-product. High quality compost has been shown to be a key element in creating a healthy regenerative food production system. In ground-based studies, the soil microbial ecology after the addition of high quality compost was shown to improve plant growth and promote a healthy symbiosis of arbuscular mycorrhizal fungi. Another advantage of such high processing temperature is the ability to sterilize the pathogenic organisms through the fermentation process and thus to secure the hygienic safety of the system. Plant cultivation is one of the other major systems. It should fully utilize solar energy received on the Martian surface for supplying energy for photosynthesis. Subsurface water and atmospheric carbon dioxide mined on Mars should be also used in the plant cultivation system. Oxygen and food production for human thus rely on local Martian resources. A tree growing subsystem will also give an interesting feature to Martian agriculture. In addition to producing excess oxygen, trees’ rigid body will provide structural material, which can be used for habitat construction. The combination of hyper-thermophilic aerobic composting, plant cultivation, and tree growing with utilizing in-situ natural local resources available on Mars can provide important elements which can enable space agriculture on Mars.
Linear variable narrow bandpass optical filters in the far infrared (Conference Presentation)
NASA Astrophysics Data System (ADS)
Rahmlow, Thomas D.
2017-06-01
We are currently developing linear variable filters (LVF) with very high wavelength gradients. In the visible, these filters have a wavelength gradient of 50 to 100 nm/mm. In the infrared, the wavelength gradient covers the range of 500 to 900 microns/mm. Filter designs include band pass, long pass and ulta-high performance anti-reflection coatings. The active area of the filters is on the order of 5 to 30 mm along the wavelength gradient and up to 30 mm in the orthogonal, constant wavelength direction. Variation in performance along the constant direction is less than 1%. Repeatable performance from filter to filter, absolute placement of the filter relative to a substrate fiducial and, high in-band transmission across the full spectral band is demonstrated. Applications include order sorting filters, direct replacement of the spectrometer and hyper-spectral imaging. Off-band rejection with an optical density of greater than 3 allows use of the filter as an order sorting filter. The linear variable order sorting filters replaces other filter types such as block filters. The disadvantage of block filters is the loss of pixels due to the transition between filter blocks. The LVF is a continuous gradient without a discrete transition between filter wavelength regions. If the LVF is designed as a narrow band pass filter, it can be used in place of a spectrometer thus reducing overall sensor weight and cost while improving the robustness of the sensor. By controlling the orthogonal performance (smile) the LVF can be sized to the dimensions of the detector. When imaging on to a 2 dimensional array and operating the sensor in a push broom configuration, the LVF spectrometer performs as a hyper-spectral imager. This paper presents performance of LVF fabricated in the far infrared on substrates sized to available detectors. The impact of spot size, F-number and filter characterization are presented. Results are also compared to extended visible LVF filters.
NASA Astrophysics Data System (ADS)
Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi
2018-06-01
A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.
The intense world theory - a unifying theory of the neurobiology of autism.
Markram, Kamila; Markram, Henry
2010-01-01
Autism covers a wide spectrum of disorders for which there are many views, hypotheses and theories. Here we propose a unifying theory of autism, the Intense World Theory. The proposed neuropathology is hyper-functioning of local neural microcircuits, best characterized by hyper-reactivity and hyper-plasticity. Such hyper-functional microcircuits are speculated to become autonomous and memory trapped leading to the core cognitive consequences of hyper-perception, hyper-attention, hyper-memory and hyper-emotionality. The theory is centered on the neocortex and the amygdala, but could potentially be applied to all brain regions. The severity on each axis depends on the severity of the molecular syndrome expressed in different brain regions, which could uniquely shape the repertoire of symptoms of an autistic child. The progression of the disorder is proposed to be driven by overly strong reactions to experiences that drive the brain to a hyper-preference and overly selective state, which becomes more extreme with each new experience and may be particularly accelerated by emotionally charged experiences and trauma. This may lead to obsessively detailed information processing of fragments of the world and an involuntarily and systematic decoupling of the autist from what becomes a painfully intense world. The autistic is proposed to become trapped in a limited, but highly secure internal world with minimal extremes and surprises. We present the key studies that support this theory of autism, show how this theory can better explain past findings, and how it could resolve apparently conflicting data and interpretations. The theory also makes further predictions from the molecular to the behavioral levels, provides a treatment strategy and presents its own falsifying hypothesis.
The Intense World Theory – A Unifying Theory of the Neurobiology of Autism
Markram, Kamila; Markram, Henry
2010-01-01
Autism covers a wide spectrum of disorders for which there are many views, hypotheses and theories. Here we propose a unifying theory of autism, the Intense World Theory. The proposed neuropathology is hyper-functioning of local neural microcircuits, best characterized by hyper-reactivity and hyper-plasticity. Such hyper-functional microcircuits are speculated to become autonomous and memory trapped leading to the core cognitive consequences of hyper-perception, hyper-attention, hyper-memory and hyper-emotionality. The theory is centered on the neocortex and the amygdala, but could potentially be applied to all brain regions. The severity on each axis depends on the severity of the molecular syndrome expressed in different brain regions, which could uniquely shape the repertoire of symptoms of an autistic child. The progression of the disorder is proposed to be driven by overly strong reactions to experiences that drive the brain to a hyper-preference and overly selective state, which becomes more extreme with each new experience and may be particularly accelerated by emotionally charged experiences and trauma. This may lead to obsessively detailed information processing of fragments of the world and an involuntarily and systematic decoupling of the autist from what becomes a painfully intense world. The autistic is proposed to become trapped in a limited, but highly secure internal world with minimal extremes and surprises. We present the key studies that support this theory of autism, show how this theory can better explain past findings, and how it could resolve apparently conflicting data and interpretations. The theory also makes further predictions from the molecular to the behavioral levels, provides a treatment strategy and presents its own falsifying hypothesis. PMID:21191475
Verification of directed self-assembly (DSA) guide patterns through machine learning
NASA Astrophysics Data System (ADS)
Shim, Seongbo; Cai, Sibo; Yang, Jaewon; Yang, Seunghune; Choi, Byungil; Shin, Youngsoo
2015-03-01
Verification of full-chip DSA guide patterns (GPs) through simulations is not practical due to long runtime. We develop a decision function (or functions), which receives n geometry parameters of a GP as inputs and predicts whether the GP faithfully produces desired contacts (good) or not (bad). We take a few sample GPs to construct the function; DSA simulations are performed for each GP to decide whether it is good or bad, and the decision is marked in n-dimensional space. The hyper-plane that separates good marks and bad marks in that space is determined through machine learning process, and corresponds to our decision function. We try a single global function that can be applied to any GP types, and a series of functions in which each function is customized for different GP type; they are then compared and assessed in 10nm technology.
Patra, Bikash; Jana, Subrata; Samal, Prasanjit
2018-03-28
The exchange hole, which is one of the principal constituents of the density functional formalism, can be used to design accurate range-separated hybrid functionals in association with appropriate correlation. In this regard, the exchange hole derived from the density matrix expansion has gained attention due to its fulfillment of some of the desired exact constraints. Thus, the new long-range corrected density functional proposed here combines the meta generalized gradient approximation level exchange functional designed from the density matrix expansion based exchange hole coupled with the ab initio Hartree-Fock exchange through the range separation of the Coulomb interaction operator using the standard error function technique. Then, in association with the Lee-Yang-Parr correlation functional, the assessment and benchmarking of the above newly constructed range-separated functional with various well-known test sets shows its reasonable performance for a broad range of molecular properties, such as thermochemistry, non-covalent interaction and barrier heights of the chemical reactions.
Library Construction from Subnanogram DNA for Pelagic Sea Water and Deep-Sea Sediments
Hirai, Miho; Nishi, Shinro; Tsuda, Miwako; Sunamura, Michinari; Takaki, Yoshihiro; Nunoura, Takuro
2017-01-01
Shotgun metagenomics is a low biased technology for assessing environmental microbial diversity and function. However, the requirement for a sufficient amount of DNA and the contamination of inhibitors in environmental DNA leads to difficulties in constructing a shotgun metagenomic library. We herein examined metagenomic library construction from subnanogram amounts of input environmental DNA from subarctic surface water and deep-sea sediments using two library construction kits: the KAPA Hyper Prep Kit and Nextera XT DNA Library Preparation Kit, with several modifications. The influence of chemical contaminants associated with these environmental DNA samples on library construction was also investigated. Overall, shotgun metagenomic libraries were constructed from 1 pg to 1 ng of input DNA using both kits without harsh library microbial contamination. However, the libraries constructed from 1 pg of input DNA exhibited larger biases in GC contents, k-mers, or small subunit (SSU) rRNA gene compositions than those constructed from 10 pg to 1 ng DNA. The lower limit of input DNA for low biased library construction in this study was 10 pg. Moreover, we revealed that technology-dependent biases (physical fragmentation and linker ligation vs. tagmentation) were larger than those due to the amount of input DNA. PMID:29187708
(Hyper)thermophilic enzymes: production and purification.
Falcicchio, Pierpaolo; Levisson, Mark; Kengen, Servé W M; Koutsopoulos, Sotirios
2014-01-01
The discovery of thermophilic and hyperthermophilic microorganisms, thriving at environmental temperatures near or above 100 °C, has revolutionized our ideas about the upper temperature limit at which life can exist. The characterization of (hyper)thermostable proteins has broadened our understanding and presented new opportunities for solving one of the most challenging problems in biophysics: how is structural stability and biological function maintained at high temperatures where "normal" proteins undergo dramatic structural changes? In our laboratory we have purified and studied many thermostable and hyperthermostable proteins in an attempt to determine the molecular basis of heat stability. Here, we present methods to express such proteins and enzymes in E. coli and provide a general protocol for overproduction and purification. The ability to produce enzymes that retain their stability and activity at elevated temperatures creates exciting opportunities for a wide range of biocatalytic applications.
Asada, Masahito; Hakimi, Hassan; Kawazu, Shin-Ichiro
2018-05-15
In recent years, genetically encoded fluorescent probes have allowed a dramatic advancement in time-lapse imaging, enabling this imaging modality to be used to investigate intracellular events in several apicomplexan parasite species. In this study, we constructed a plasmid vector to stably express a genetically encoded H 2 O 2 sensor probe called HyPer in Babesia bovis. The HyPer-transfected parasite population was successfully developed and subjected to a time-lapse imaging analysis under in vitro culture conditions. HyPer was capable of sensing an increasing H 2 O 2 concentration in the parasite cells which was induced by the administration of paraquat as a superoxide donor. HyPer fluorescence co-staining with MitoTracker Red indicated the mitochondria as the major source of reactive oxygen species (ROS) in parasite cells. The fluctuating ROS dynamics in the parasite gliding toward, attaching to, and invading the target red blood cell was visualized and monitored in real time with the HyPer expressing parasite population. This is the first report to describe the application of the HyPer probe in an imaging analysis involving Babesia parasites. Hyper-expressing parasites can be widely utilized in studies to investigate the mechanisms of emergence and the reduction of oxidative stress, as well as the signal transduction in the parasite cells during host invasion and intercellular development. Copyright © 2018 Elsevier B.V. All rights reserved.
Superluminality in dilatationally invariant generalized Galileon theories
NASA Astrophysics Data System (ADS)
Kolevatov, R. S.
2015-12-01
We consider small perturbations about homogeneous backgrounds in dilatationally invariant Galileon models. The issues we address are stability (absence of ghosts and gradient instabilities) and superluminality. We show that in the Minkowski background, it is possible to construct the Lagrangian in such a way that any homogeneous Galileon background solution is stable and small perturbations about it are subluminal. On the other hand, in the case of Friedmann-Lemaitre-Robertson-Walker (FLRW) backgrounds, for any Lagrangian functions there exist homogeneous background solutions to the Galileon equation of motion and time dependence of the scale factor, such that the stability conditions are satisfied, but the Galileon perturbations propagate with superluminal speed.
Renormalizability of the gradient flow in the 2D O(N) non-linear sigma model
NASA Astrophysics Data System (ADS)
Makino, Hiroki; Suzuki, Hiroshi
2015-03-01
It is known that the gauge field and its composite operators evolved by the Yang-Mills gradient flow are ultraviolet (UV) finite without any multiplicative wave function renormalization. In this paper, we prove that the gradient flow in the 2D O(N) non-linear sigma model possesses a similar property: The flowed N-vector field and its composite operators are UV finite without multiplicative wave function renormalization. Our proof in all orders of perturbation theory uses a (2+1)-dimensional field theoretical representation of the gradient flow, which possesses local gauge invariance without gauge field. As an application of the UV finiteness of the gradient flow, we construct the energy-momentum tensor in the lattice formulation of the O(N) non-linear sigma model that automatically restores the correct normalization and the conservation law in the continuum limit.
Li, Ping; Wang, Weiwei; Zhang, Chenxi; An, Yong; Song, Zhijian
2016-01-01
Intraoperative brain retraction leads to a misalignment between the intraoperative positions of the brain structures and their previous positions, as determined from preoperative images. In vitro swine brain sample uniaxial tests showed that the mechanical response of brain tissue to compression and extension could be described by the hyper-viscoelasticity theory. The brain retraction caused by the mechanical process is a combination of brain tissue compression and extension. In this paper, we first constructed a hyper-viscoelastic framework based on the extended finite element method (XFEM) to simulate intraoperative brain retraction. To explore its effectiveness, we then applied this framework to an in vivo brain retraction simulation. The simulation strictly followed the clinical scenario, in which seven swine were subjected to brain retraction. Our experimental results showed that the hyper-viscoelastic XFEM framework is capable of simulating intraoperative brain retraction and improving the navigation accuracy of an image-guided neurosurgery system (IGNS). PMID:27387301
What are the Geophysical Fingerprints of hyper-extended Crustal Domains ?
NASA Astrophysics Data System (ADS)
Stanton, N.; Manatschal, G.; Maia, M.; Viana, A.; Tugend, J.; Autin, J.
2012-04-01
The Iberian margin is a well-studied region and presently the best tectonic setting for understanding the dynamic process of margin's formation and evolution. The world largest available dataset enabled to properly constrain the crustal structure and opened new paradigms for passive margins studies. Nevertheless, there are numerous remaining questions, as for example what is the spatial extent of continental inheritance along the margin and what is the role of fluids (serpentinization/magmatism) during margin's formation/deformation? The observation of a hyper-extended crustal domain, now also identified in other margins reveals the highly diverse nature of the crust along rifted margins. What are its physical properties and how do they change laterally? The aim of this study is to explore the physical signature of the serpentinized crust, which composes this hyper-extended domain, to identify the limits of the system and discuss its nature and importance. To investigate the lateral variation of crustal types we use integrated gravity, magnetic, seismic and available geological/well data. Transformations on the potential field data enable us to enhance the horizontal and vertical variations of the crust, and future forward modeling will provide a geological correlation for Iberia. The preliminary results showed that the transitional crust can be subdivided into two zones, regarding their different geophysical signatures: from the necking zone, the continent ward transitional crust displays decreasing gravity anomaly, low horizontal gradient and smooth magnetic anomalies; towards offshore (to the west of the J anomaly) the transitional crust is characterized by a semi-cyclic magnetic anomaly pattern, with increasing gravity, showing a stronger horizontal gradient and rough bathymetry. We associate this transitional domain with an embryonic oceanic type crust. Comparisons with other margins along the North Atlantic, despite the great spatial variation, reveals preliminarily that the hyper-extended crust at the non-volcanic Iberia Margin displays intrinsic characteristics distinct from the more volcanic transitional domains to the north. The physical properties of the different crustal types will be further modeled to properly constrain their characteristics. The final results shall enable us to identify the lateral transition between the different continental-transitional hydrated-oceanic crustal types and potentially would allow us to identify similar domains worldwide.
Zhu, Hong; Reynolds, L Bruce; Menassa, Rima
2017-06-19
Alpha amylase hydrolyzes α-bonds of polysaccharides such as starch and produces malto-oligosaccharides. Its starch saccharification applications make it an essential enzyme in the textile, food and brewing industries. Commercially available α-amylase is mostly produced from Bacillus or Aspergillus. A hyper-thermostable and Ca 2++ independent α-amylase from Pyrococcus furiosus (PFA) expressed in E.coli forms insoluble inclusion bodies and thus is not feasible for industrial applications. We expressed PFA in Nicotiana tabacum and found that plant-produced PFA forms functional aggregates with an accumulation level up to 3.4 g/kg FW (fresh weight) in field conditions. The aggregates are functional without requiring refolding and therefore have potential to be applied as homogenized plant tissue without extraction or purification. PFA can also be extracted from plant tissue upon dissolution in a mild reducing buffer containing SDS. Like the enzyme produced in P. furiosus and in E. coli, plant produced PFA preserves hyper-thermophilicity and hyper-thermostability and has a long shelf life when stored in lyophilized leaf tissue. With tobacco's large biomass and high yield, hyper-thermostable α-amylase was produced at a scale of 42 kg per hectare. Tobacco may be a suitable bioreactor for industrial production of active hyperthermostable alpha amylase.
Elwin, Marie; Schröder, Agneta; Ek, Lena; Kjellin, Lars
2016-01-01
Unusual reactions to sensory stimuli are experienced by 90-95% of people with an autism spectrum condition (ASC). Self-reported sensory reactivity in ASC has mainly been measured with generic questionnaires developed and validated on data from the general population. Interest in sensory reactivity in ASC increased after the inclusion of hyper- and hypo-reactivity together with unusual sensory interest as diagnostic markers of ASC in the DSM-5. To develop and pilot validate a self-report questionnaire designed from first-hand descriptions of the target group of adults diagnosed with high functioning ASC. Psychometric properties of the questionnaire were evaluated on a sample of participants with ASC diagnoses (N = 71) and a random sample from the general population (N = 162). The Sensory Reactivity in Autism Spectrum (SR-AS is intended to be used as a screening tool in diagnostic processes with adults and for support in adapting compensating strategies and environmental adjustments. The internal consistency was high for both the SR-AS and its subscales. The total scale Cronbach's alpha was 0.96 and the subscales alphas were ≥ 0.80. Confirmatory factor analysis (CFA) showed best fit for a four-factor model of inter-correlated factors: hyper and hypo-reactivity, strong sensory interest and a sensory/motor factor. The questionnaire discriminated well between ASC-diagnosed participants and participants from the general population. The SR-AS displayed good internal consistency and discriminatory power and promising factorial validity.
Femininity, Science, and the Denigration of the Girly Girl
ERIC Educational Resources Information Center
Francis, Becky; Archer, Louise; Moote, Julie; de Witt, Jen; Yeomans, Lucy
2017-01-01
Hyper-femininity and the construction of the "girly girl" label have been documented widely, but there has been less attention to their content (or any distinctions between these constructs). Indeed, it can be argued that the content of femininity remains a controversial and somewhat under-researched topic in feminist scholarship. This…
Differential responses of targeted lung redox enzymes to rat exposure to 60 or 85% oxygen
Gan, Zhuohui; Roerig, David L.; Clough, Anne V.
2011-01-01
Rat exposure to 60% O2 (hyper-60) or 85% O2 (hyper-85) for 7 days confers susceptibility or tolerance, respectively, of the otherwise lethal effects of exposure to 100% O2. The objective of this study was to determine whether activities of the antioxidant cytosolic enzyme NAD(P)H:quinone oxidoreductase 1 (NQO1) and mitochondrial complex III are differentially altered in hyper-60 and hyper-85 lungs. Duroquinone (DQ), an NQO1 substrate, or its hydroquinone (DQH2), a complex III substrate, was infused into the arterial inflow of isolated, perfused lungs, and the venous efflux rates of DQH2 and DQ were measured. Based on inhibitor effects and kinetic modeling, capacities of NQO1-mediated DQ reduction (Vmax1) and complex III-mediated DQH2 oxidation (Vmax2) increased by ∼140 and ∼180% in hyper-85 lungs, respectively, compared with rates in lungs of rats exposed to room air (normoxic). In hyper-60 lungs, Vmax1 increased by ∼80%, with no effect on Vmax2. Additional studies revealed that mitochondrial complex I activity in hyper-60 and hyper-85 lung tissue homogenates was ∼50% lower than in normoxic lung homogenates, whereas mitochondrial complex IV activity was ∼90% higher in only hyper-85 lung tissue homogenates. Thus NQO1 activity increased in both hyper-60 and hyper-85 lungs, whereas complex III activity increased in hyper-85 lungs only. This increase, along with the increase in complex IV activity, may counter the effects the depression in complex I activity might have on tissue mitochondrial function and/or reactive oxygen species production and may be important to the tolerance of 100% O2 observed in hyper-85 rats. PMID:21551015
Differential responses of targeted lung redox enzymes to rat exposure to 60 or 85% oxygen.
Gan, Zhuohui; Roerig, David L; Clough, Anne V; Audi, Said H
2011-07-01
Rat exposure to 60% O(2) (hyper-60) or 85% O(2) (hyper-85) for 7 days confers susceptibility or tolerance, respectively, of the otherwise lethal effects of exposure to 100% O(2). The objective of this study was to determine whether activities of the antioxidant cytosolic enzyme NAD(P)H:quinone oxidoreductase 1 (NQO1) and mitochondrial complex III are differentially altered in hyper-60 and hyper-85 lungs. Duroquinone (DQ), an NQO1 substrate, or its hydroquinone (DQH(2)), a complex III substrate, was infused into the arterial inflow of isolated, perfused lungs, and the venous efflux rates of DQH(2) and DQ were measured. Based on inhibitor effects and kinetic modeling, capacities of NQO1-mediated DQ reduction (V(max1)) and complex III-mediated DQH(2) oxidation (V(max2)) increased by ∼140 and ∼180% in hyper-85 lungs, respectively, compared with rates in lungs of rats exposed to room air (normoxic). In hyper-60 lungs, V(max1) increased by ∼80%, with no effect on V(max2). Additional studies revealed that mitochondrial complex I activity in hyper-60 and hyper-85 lung tissue homogenates was ∼50% lower than in normoxic lung homogenates, whereas mitochondrial complex IV activity was ∼90% higher in only hyper-85 lung tissue homogenates. Thus NQO1 activity increased in both hyper-60 and hyper-85 lungs, whereas complex III activity increased in hyper-85 lungs only. This increase, along with the increase in complex IV activity, may counter the effects the depression in complex I activity might have on tissue mitochondrial function and/or reactive oxygen species production and may be important to the tolerance of 100% O(2) observed in hyper-85 rats.
Nonlocal kinetic energy functionals by functional integration.
Mi, Wenhui; Genova, Alessandro; Pavanello, Michele
2018-05-14
Since the seminal studies of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting kinetic energy, T s [ρ], the subject of this work. The typical paradigm is to first approximate the energy functional and then take its functional derivative, δT s [ρ]δρ(r), yielding a potential that can be used in orbital-free DFT or subsystem DFT simulations. Here, this paradigm is challenged by constructing the potential from the second-functional derivative via functional integration. A new nonlocal functional for T s [ρ] is prescribed [which we dub Mi-Genova-Pavanello (MGP)] having a density independent kernel. MGP is constructed to satisfy three exact conditions: (1) a nonzero "Kinetic electron" arising from a nonzero exchange hole; (2) the second functional derivative must reduce to the inverse Lindhard function in the limit of homogenous densities; (3) the potential is derived from functional integration of the second functional derivative. Pilot calculations show that MGP is capable of reproducing accurate equilibrium volumes, bulk moduli, total energy, and electron densities for metallic (body-centered cubic, face-centered cubic) and semiconducting (crystal diamond) phases of silicon as well as of III-V semiconductors. The MGP functional is found to be numerically stable typically reaching self-consistency within 12 iterations of a truncated Newton minimization algorithm. MGP's computational cost and memory requirements are low and comparable to the Wang-Teter nonlocal functional or any generalized gradient approximation functional.
Nonlocal kinetic energy functionals by functional integration
NASA Astrophysics Data System (ADS)
Mi, Wenhui; Genova, Alessandro; Pavanello, Michele
2018-05-01
Since the seminal studies of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting kinetic energy, Ts[ρ], the subject of this work. The typical paradigm is to first approximate the energy functional and then take its functional derivative, δ/Ts[ρ ] δ ρ (r ) , yielding a potential that can be used in orbital-free DFT or subsystem DFT simulations. Here, this paradigm is challenged by constructing the potential from the second-functional derivative via functional integration. A new nonlocal functional for Ts[ρ] is prescribed [which we dub Mi-Genova-Pavanello (MGP)] having a density independent kernel. MGP is constructed to satisfy three exact conditions: (1) a nonzero "Kinetic electron" arising from a nonzero exchange hole; (2) the second functional derivative must reduce to the inverse Lindhard function in the limit of homogenous densities; (3) the potential is derived from functional integration of the second functional derivative. Pilot calculations show that MGP is capable of reproducing accurate equilibrium volumes, bulk moduli, total energy, and electron densities for metallic (body-centered cubic, face-centered cubic) and semiconducting (crystal diamond) phases of silicon as well as of III-V semiconductors. The MGP functional is found to be numerically stable typically reaching self-consistency within 12 iterations of a truncated Newton minimization algorithm. MGP's computational cost and memory requirements are low and comparable to the Wang-Teter nonlocal functional or any generalized gradient approximation functional.
Course 4: Density Functional Theory, Methods, Techniques, and Applications
NASA Astrophysics Data System (ADS)
Chrétien, S.; Salahub, D. R.
Contents 1 Introduction 2 Density functional theory 2.1 Hohenberg and Kohn theorems 2.2 Levy's constrained search 2.3 Kohn-Sham method 3 Density matrices and pair correlation functions 4 Adiabatic connection or coupling strength integration 5 Comparing and constrasting KS-DFT and HF-CI 6 Preparing new functionals 7 Approximate exchange and correlation functionals 7.1 The Local Spin Density Approximation (LSDA) 7.2 Gradient Expansion Approximation (GEA) 7.3 Generalized Gradient Approximation (GGA) 7.4 meta-Generalized Gradient Approximation (meta-GGA) 7.5 Hybrid functionals 7.6 The Optimized Effective Potential method (OEP) 7.7 Comparison between various approximate functionals 8 LAP correlation functional 9 Solving the Kohn-Sham equations 9.1 The Kohn-Sham orbitals 9.2 Coulomb potential 9.3 Exchange-correlation potential 9.4 Core potential 9.5 Other choices and sources of error 9.6 Functionality 10 Applications 10.1 Ab initio molecular dynamics for an alanine dipeptide model 10.2 Transition metal clusters: The ecstasy, and the agony... 10.3 The conversion of acetylene to benzene on Fe clusters 11 Conclusions
Design and fabrication of a 900-1700 nm hyper-spectral imaging spectrometer
NASA Astrophysics Data System (ADS)
Kim, Tae Hyoung; Kong, Hong Jin; Kim, Tae Hoon; Shin, Jae Sung
2010-02-01
This paper presents a 900-1700 nm hyper-spectral imaging spectrometer which offers low distortions, a low F-number, a compact size, an easily-fabricated design and a low cost (is presented in this paper). The starting point for its optical design is discussed according to the geometrical aberration theory and Rowland circle condition. It is shown that these methods are useful in designing a push-broom hyper-spectral imaging spectrometer that has an aperture of f/2.4, modulation transfer functions of less than 0.8 at 25 cycles/mm, and spot sizes less than 10 μm. A prototype of the optimized hyper-spectral imaging spectrometer has been fabricated using a high precision machine and the experimental demonstration with the fabricated hyper-spectral imaging spectrometer is presented.
A sharp interpolation between the Hölder and Gaussian Young inequalities
NASA Astrophysics Data System (ADS)
da Pelo, Paolo; Lanconelli, Alberto; Stan, Aurel I.
2016-03-01
We prove a very general sharp inequality of the Hölder-Young-type for functions defined on infinite dimensional Gaussian spaces. We begin by considering a family of commutative products for functions which interpolates between the pointwise and Wick products; this family arises naturally in the context of stochastic differential equations, through Wong-Zakai-type approximation theorems, and plays a key role in some generalizations of the Beckner-type Poincaré inequality. We then obtain a crucial integral representation for that family of products which is employed, together with a generalization of the classic Young inequality due to Lieb, to prove our main theorem. We stress that our main inequality contains as particular cases the Hölder inequality and Nelson’s hyper-contractive estimate, thus providing a unified framework for two fundamental results of the Gaussian analysis.
TOPS On-Line: Automating the Construction and Maintenance of HTML Pages
NASA Technical Reports Server (NTRS)
Jones, Kennie H.
1994-01-01
After the Technology Opportunities Showcase (TOPS), in October, 1993, Langley Research Center's (LaRC) Information Systems Division (ISD) accepted the challenge to preserve the investment in information assembled in the TOPS exhibits by establishing a data base. Following the lead of several people at LaRC and others around the world, the HyperText Transport Protocol (HTTP) server and Mosaic were the obvious tools of choice for implementation. Initially, some TOPS exhibitors began the conventional approach of constructing HyperText Markup Language (HTML) pages of their exhibits as input to Mosaic. Considering the number of pages to construct, a better approach was conceived that would automate the construction of pages. This approach allowed completion of the data base construction in a shorter period of time using fewer resources than would have been possible with the conventional approach. It also provided flexibility for the maintenance and enhancement of the data base. Since that time, this approach has been used to automate construction of other HTML data bases. Through these experiences, it is concluded that the most effective use of the HTTP/Mosaic technology will require better tools and techniques for creating, maintaining and managing the HTML pages. The development and use of these tools and techniques are the subject of this document.
Eich, F G; Hellgren, Maria
2014-12-14
We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state and exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Eich, F. G., E-mail: eichf@missouri.edu; Hellgren, Maria
2014-12-14
We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state andmore » exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative.« less
Analysis of the numerical differentiation formulas of functions with large gradients
NASA Astrophysics Data System (ADS)
Tikhovskaya, S. V.
2017-10-01
The solution of a singularly perturbed problem corresponds to a function with large gradients. Therefore the question of interpolation and numerical differentiation of such functions is relevant. The interpolation based on Lagrange polynomials on uniform mesh is widely applied. However, it is known that the use of such interpolation for the function with large gradients leads to estimates that are not uniform with respect to the perturbation parameter and therefore leads to errors of order O(1). To obtain the estimates that are uniform with respect to the perturbation parameter, we can use the polynomial interpolation on a fitted mesh like the piecewise-uniform Shishkin mesh or we can construct on uniform mesh the interpolation formula that is exact on the boundary layer components. In this paper the numerical differentiation formulas for functions with large gradients based on the interpolation formulas on the uniform mesh, which were proposed by A.I. Zadorin, are investigated. The formulas for the first and the second derivatives of the function with two or three interpolation nodes are considered. Error estimates that are uniform with respect to the perturbation parameter are obtained in the particular cases. The numerical results validating the theoretical estimates are discussed.
Construction of diabatic energy surfaces for LiFH with artificial neural networks
NASA Astrophysics Data System (ADS)
Guan, Yafu; Fu, Bina; Zhang, Dong H.
2017-12-01
A new set of diabatic potential energy surfaces (PESs) for LiFH is constructed with artificial neural networks (NNs). The adiabatic PESs of the ground state and the first excited state are directly fitted with NNs. Meanwhile, the adiabatic-to-diabatic transformation (ADT) angles (mixing angles) are obtained by simultaneously fitting energy difference and interstate coupling gradients. No prior assumptions of the functional form of ADT angles are used before fitting, and the ab initio data including energy difference and interstate coupling gradients are well reproduced. Converged dynamical results show remarkable differences between adiabatic and diabatic PESs, which suggests the significance of non-adiabatic processes.
Big Memory Elegance: HyperCard Information Processing and Desktop Publishing.
ERIC Educational Resources Information Center
Bitter, Gary G.; Gerson, Charles W., Jr.
1991-01-01
Discusses hardware requirements, functions, and applications of five information processing and desktop publishing software packages for the Macintosh: HyperCard, PageMaker, Cricket Presents, Power Point, and Adobe illustrator. Benefits of these programs for schools are considered. (MES)
NASA Astrophysics Data System (ADS)
Prato, Marco; Bonettini, Silvia; Loris, Ignace; Porta, Federica; Rebegoldi, Simone
2016-10-01
The scaled gradient projection (SGP) method is a first-order optimization method applicable to the constrained minimization of smooth functions and exploiting a scaling matrix multiplying the gradient and a variable steplength parameter to improve the convergence of the scheme. For a general nonconvex function, the limit points of the sequence generated by SGP have been proved to be stationary, while in the convex case and with some restrictions on the choice of the scaling matrix the sequence itself converges to a constrained minimum point. In this paper we extend these convergence results by showing that the SGP sequence converges to a limit point provided that the objective function satisfies the Kurdyka-Łojasiewicz property at each point of its domain and its gradient is Lipschitz continuous.
NASA Astrophysics Data System (ADS)
Sahmani, S.; Aghdam, M. M.
2017-11-01
In this paper, a new size-dependent inhomogeneous plate model is constructed to analyze the nonlinear buckling and postbuckling characteristics of multilayer functionally graded composite nanoplates reinforced with graphene platelet (GPL) nanofillers under axial compressive load. To this purpose, the nonlocal strain gradient theory of elasticity is implemented into a refined hyperbolic shear deformation plate theory. The mechanical properties of multilayer graphene platelet-reinforced composite (GPLRC) nanoplates are evaluated based upon the Halpin-Tsai micromechanical scheme. The weight fraction of randomly dispersed GPLs remain constant in each individual layer, which results in U-GPLRC nanoplate, or changes layerwise in accordance with three different functionally graded patterns, which make X-GPLRC, O-GPLRC and A-GPLRC nanoplates. Via a two-stepped perturbation technique, explicit analytical expressions for nonlocal strain gradient stability paths are established for layerwise functionally graded GPLRC nanoplates. It is demonstrated that both the nonlocal and strain gradient size dependencies are more significant for multilayer GPLRC nanoplates filling by GPL nanofillers with higher length-to-thickness and width-to-thickness ratios.
United States Air Force High School Apprenticeship Program. 1990 Program Management Report. Volume 2
1991-04-18
49-3 documentation application. The demonstration was created with Apple Computer’s HyperCard using a flowchart -like format with which the user could...Software, Inc.,1989. F-1_6 A/B Avionic System Manual. Fort Worth, TX: General Dynamics, 1990.I 5HyperCard Beginners Guide: An Introduction to
Merging Marine Ecosystem Models and Genomics
NASA Astrophysics Data System (ADS)
Coles, V.; Hood, R. R.; Stukel, M. R.; Moran, M. A.; Paul, J. H.; Satinsky, B.; Zielinski, B.; Yager, P. L.
2015-12-01
oceanography. One of the grand challenges of oceanography is to develop model techniques to more effectively incorporate genomic information. As one approach, we developed an ecosystem model whose community is determined by randomly assigning functional genes to build each organism's "DNA". Microbes are assigned a size that sets their baseline environmental responses using allometric response cuves. These responses are modified by the costs and benefits conferred by each gene in an organism's genome. The microbes are embedded in a general circulation model where environmental conditions shape the emergent population. This model is used to explore whether organisms constructed from randomized combinations of metabolic capability alone can self-organize to create realistic oceanic biogeochemical gradients. Realistic community size spectra and chlorophyll-a concentrations emerge in the model. The model is run repeatedly with randomly-generated microbial communities and each time realistic gradients in community size spectra, chlorophyll-a, and forms of nitrogen develop. This supports the hypothesis that the metabolic potential of a community rather than the realized species composition is the primary factor setting vertical and horizontal environmental gradients. Vertical distributions of nitrogen and transcripts for genes involved in nitrification are broadly consistent with observations. Modeled gene and transcript abundance for nitrogen cycling and processing of land-derived organic material match observations along the extreme gradients in the Amazon River plume, and they help to explain the factors controlling observed variability.
Kesler, Shelli R; Adams, Marjorie; Packer, Melissa; Rao, Vikram; Henneghan, Ashley M; Blayney, Douglas W; Palesh, Oxana
2017-03-01
Several previous studies have demonstrated that cancer chemotherapy is associated with brain injury and cognitive dysfunction. However, evidence suggests that cancer pathogenesis alone may play a role, even in non-CNS cancers. Using a multimodal neuroimaging approach, we measured structural and functional connectome topology as well as functional network dynamics in newly diagnosed patients with breast cancer. Our study involved a novel, pretreatment assessment that occurred prior to the initiation of any cancer therapies, including surgery with anesthesia. We enrolled 74 patients with breast cancer age 29-65 and 50 frequency-matched healthy female controls who underwent anatomic and resting-state functional MRI as well as cognitive testing. Compared to controls, patients with breast cancer demonstrated significantly lower functional network dynamics ( p = .046) and cognitive functioning ( p < .02, corrected). The breast cancer group also showed subtle alterations in structural local clustering and functional local clustering ( p < .05, uncorrected) as well as significantly increased correlation between structural global clustering and functional global clustering compared to controls ( p = .03). This hyper-correlation between structural and functional topologies was significantly associated with cognitive dysfunction ( p = .005). Our findings could not be accounted for by psychological distress and suggest that non-CNS cancer may directly and/or indirectly affect the brain via mechanisms such as tumor-induced neurogenesis, inflammation, and/or vascular changes, for example. Our results also have broader implications concerning the importance of the balance between structural and functional connectome properties as a potential biomarker of general neurologic deficit.
Single-photon test of hyper-complex quantum theories using a metamaterial.
Procopio, Lorenzo M; Rozema, Lee A; Wong, Zi Jing; Hamel, Deny R; O'Brien, Kevin; Zhang, Xiang; Dakić, Borivoje; Walther, Philip
2017-04-21
In standard quantum mechanics, complex numbers are used to describe the wavefunction. Although this has so far proven sufficient to predict experimental results, there is no theoretical reason to choose them over real numbers or generalizations of complex numbers, that is, hyper-complex numbers. Experiments performed to date have proven that real numbers are insufficient, but the need for hyper-complex numbers remains an open question. Here we experimentally probe hyper-complex quantum theories, studying one of their deviations from complex quantum theory: the non-commutativity of phases. We do so by passing single photons through a Sagnac interferometer containing both a metamaterial with a negative refractive index, and a positive phase shifter. To accomplish this we engineered a fishnet metamaterial to have a negative refractive index at 780 nm. We show that the metamaterial phase commutes with other phases with high precision, allowing us to place limits on a particular prediction of hyper-complex quantum theories.
Single-photon test of hyper-complex quantum theories using a metamaterial
DOE Office of Scientific and Technical Information (OSTI.GOV)
Procopio, Lorenzo M.; Rozema, Lee A.; Wong, Zi Jing
In standard quantum mechanics, complex numbers are used to describe the wavefunction. Although this has so far proven sufficient to predict experimental results, there is no theoretical reason to choose them over real numbers or generalizations of complex numbers, that is, hyper-complex numbers. Experiments performed to date have proven that real numbers are insufficient, but the need for hyper-complex numbers remains an open question. Here we experimentally probe hyper-complex quantum theories, studying one of their deviations from complex quantum theory: the non-commutativity of phases. We do so by passing single photons through a Sagnac interferometer containing both a metamaterial withmore » a negative refractive index, and a positive phase shifter. In order to accomplish this we engineered a fishnet metamaterial to have a negative refractive index at 780 nm. Here, we show that the metamaterial phase commutes with other phases with high precision, allowing us to place limits on a particular prediction of hyper-complex quantum theories.« less
Single-photon test of hyper-complex quantum theories using a metamaterial
Procopio, Lorenzo M.; Rozema, Lee A.; Wong, Zi Jing; ...
2017-04-21
In standard quantum mechanics, complex numbers are used to describe the wavefunction. Although this has so far proven sufficient to predict experimental results, there is no theoretical reason to choose them over real numbers or generalizations of complex numbers, that is, hyper-complex numbers. Experiments performed to date have proven that real numbers are insufficient, but the need for hyper-complex numbers remains an open question. Here we experimentally probe hyper-complex quantum theories, studying one of their deviations from complex quantum theory: the non-commutativity of phases. We do so by passing single photons through a Sagnac interferometer containing both a metamaterial withmore » a negative refractive index, and a positive phase shifter. In order to accomplish this we engineered a fishnet metamaterial to have a negative refractive index at 780 nm. Here, we show that the metamaterial phase commutes with other phases with high precision, allowing us to place limits on a particular prediction of hyper-complex quantum theories.« less
Single-photon test of hyper-complex quantum theories using a metamaterial
Procopio, Lorenzo M.; Rozema, Lee A.; Wong, Zi Jing; Hamel, Deny R.; O'Brien, Kevin; Zhang, Xiang; Dakić, Borivoje; Walther, Philip
2017-01-01
In standard quantum mechanics, complex numbers are used to describe the wavefunction. Although this has so far proven sufficient to predict experimental results, there is no theoretical reason to choose them over real numbers or generalizations of complex numbers, that is, hyper-complex numbers. Experiments performed to date have proven that real numbers are insufficient, but the need for hyper-complex numbers remains an open question. Here we experimentally probe hyper-complex quantum theories, studying one of their deviations from complex quantum theory: the non-commutativity of phases. We do so by passing single photons through a Sagnac interferometer containing both a metamaterial with a negative refractive index, and a positive phase shifter. To accomplish this we engineered a fishnet metamaterial to have a negative refractive index at 780 nm. We show that the metamaterial phase commutes with other phases with high precision, allowing us to place limits on a particular prediction of hyper-complex quantum theories. PMID:28429711
Statistical Mechanics of Node-perturbation Learning with Noisy Baseline
NASA Astrophysics Data System (ADS)
Hara, Kazuyuki; Katahira, Kentaro; Okada, Masato
2017-02-01
Node-perturbation learning is a type of statistical gradient descent algorithm that can be applied to problems where the objective function is not explicitly formulated, including reinforcement learning. It estimates the gradient of an objective function by using the change in the object function in response to the perturbation. The value of the objective function for an unperturbed output is called a baseline. Cho et al. proposed node-perturbation learning with a noisy baseline. In this paper, we report on building the statistical mechanics of Cho's model and on deriving coupled differential equations of order parameters that depict learning dynamics. We also show how to derive the generalization error by solving the differential equations of order parameters. On the basis of the results, we show that Cho's results are also apply in general cases and show some general performances of Cho's model.
Bottino, Daniel Alexandre; Lopes, Flávia Gomes; de Oliveira, Francisco José; Mecenas, Anete de Souza; Clapauch, Ruth; Bouskela, Eliete
2015-04-08
There is a functional decline of endothelial- dependent vasodilatation in the aging process. The aims of this study were to investigate if various microcirculatory parameters could correlate to anthropometrical variables, oxidative stress and inflammatory biomarkers in successful aging and compare the results to young healthy controls. Healthy elderly women (HE, 74.0 ± 8.7 years, n = 11) and young controls (YC, 23.1 ± 3.6 years, n = 24) were evaluated through nailfold videocapillaroscopy (NVC), venous occlusion plethysmography (VOP) and laboratorial analysis. Functional capillary density (FCD) and diameters, maximum red blood cell velocity (RBCVmax) during the reactive hyperemia response/RBCVbaseline after 1 min arterial occlusion at the finger base, time to reach RBCVmax were determined by NVC, peak increment of forearm blood flow (FBF) during the reactive hyperemia response (%Hyper) and after 0.4 mg sublingual nitroglycerin (%Nitro) by VOP and lipidogram, fibrinogen, fasting and postload glucose, oxidized LDL-cholesterol (oxLDL), sICAM, sVCAM, sE-Selectin, interleukines 1 and 6 and TNF-α by laboratorial analysis. Correlations and linear multiple regression (LMR) between %Hyper, %Nitro, microcirculatory parameters, oxidative stress and inflammatory biomarkers were investigated. sVCAM, sE-Selectin and oxLDL were higher and RBCVmax/RBCVbaseline and %Hyper lower in HE, while %Nitro and FCD remained unchanged. Fibrinogen, LDL-cholesterol, oxLDL correlated negatively to %Hyper while sVCAM correlated negatively to %Hyper and RBCVmax/RBCVbaseline. Healthy aged women presented dilated capillaries with sustained perfusion and endothelial dysfunction with preserved vascular smooth muscle reactivity. Fibrinogen, LDL-cholesterol, oxidized-LDL and sVCAM correlated negatively to endothelial function but not to microcirculatory parameters. Oxidized-LDL and sVCAM could determine %Hyper through LMR. Oxidized-LDL and sVCAM might be used as endothelial dysfunction biomarkers for elderly with normal cardiovascular risk factors.
Corbella, Clara; Garfí, Marianna; Puigagut, Jaume
2014-02-01
Sediment microbial fuel cell (sMFC) represents a variation of the typical configuration of a MFC in which energy can be harvested via naturally occurring electropotential differences. Moreover, constructed wetlands show marked redox gradients along the depth which could be exploited for energy production via sMFC. In spite of the potential application of sMFC to constructed wetlands, there is almost no published work on the topic. The main objective of the present work was to define the best operational and design conditions of sub-surface flow constructed wetlands (SSF CWs) under which energy production with microbial fuel cells (MFCs) would be maximized. To this aim, a pilot plant based on SSF CW treating domestic sewage was operated during six months. Redox gradients along the depth of SSF CWs were determined as function of hydraulic regime (continuous vs discontinuous) and the presence of macrophytes in two sampling campaigns (after three and six months of plant operation). Redox potential (EH) within the wetlands was analysed at 5, 15 and 25 cm. Results obtained indicated that the maximum redox gradient was between the surface and the bottom of the bed for continuous planted wetlands (407.7 ± 73.8 mV) and, to a lesser extent, between the surface and the middle part of the wetland (356.5 ± 76.7 mV). Finally, the maximum redox gradients obtained for planted wetlands operated under continuous flow regime would lead to a power production of about 16 mW/m(2). © 2013.
Gradient-based adaptation of general gaussian kernels.
Glasmachers, Tobias; Igel, Christian
2005-10-01
Gradient-based optimizing of gaussian kernel functions is considered. The gradient for the adaptation of scaling and rotation of the input space is computed to achieve invariance against linear transformations. This is done by using the exponential map as a parameterization of the kernel parameter manifold. By restricting the optimization to a constant trace subspace, the kernel size can be controlled. This is, for example, useful to prevent overfitting when minimizing radius-margin generalization performance measures. The concepts are demonstrated by training hard margin support vector machines on toy data.
Yan, Gengwei; Yamaguchi, Takumi; Suzuki, Tatsuya; Yanaka, Saeko; Sato, Sota; Fujita, Makoto; Kato, Koichi
2017-05-04
Hybridization of a self-assembled, spherical complex with oligosaccharides containing Lewis X, a functional trisaccharide displayed on various cell surfaces, yielded well-defined glycoclusters. The self-assembled glycoclusters exhibited homophilic hyper-assembly in aqueous solution in a Ca 2+ -dependent manner through specific carbohydrate-carbohydrate interactions, offering a structural scaffold for functional biomimetic systems. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
On the effect of velocity gradients on the depth of correlation in μPIV
NASA Astrophysics Data System (ADS)
Mustin, B.; Stoeber, B.
2016-03-01
The present work revisits the effect of velocity gradients on the depth of the measurement volume (depth of correlation) in microscopic particle image velocimetry (μPIV). General relations between the μPIV weighting functions and the local correlation function are derived from the original definition of the weighting functions. These relations are used to investigate under which circumstances the weighting functions are related to the curvature of the local correlation function. Furthermore, this work proposes a modified definition of the depth of correlation that leads to more realistic results than previous definitions for the case when flow gradients are taken into account. Dimensionless parameters suitable to describe the effect of velocity gradients on μPIV cross correlation are derived and visual interpretations of these parameters are proposed. We then investigate the effect of the dimensionless parameters on the weighting functions and the depth of correlation for different flow fields with spatially constant flow gradients and with spatially varying gradients. Finally this work demonstrates that the results and dimensionless parameters are not strictly bound to a certain model for particle image intensity distributions but are also meaningful when other models for particle images are used.
2012-01-01
Background Combination of oncolytic vaccinia virus therapy with conventional chemotherapy has shown promise for tumor therapy. However, side effects of chemotherapy including thrombocytopenia, still remain problematic. Methods Here, we describe a novel approach to optimize combination therapy of oncolytic virus and chemotherapy utilizing virus-encoding hyper-IL-6, GLV-1h90, to reduce chemotherapy-associated side effects. Results We showed that the hyper-IL-6 cytokine was successfully produced by GLV-1h90 and was functional both in cell culture as well as in tumor-bearing animals, in which the cytokine-producing vaccinia virus strain was well tolerated. When combined with the chemotherapeutic mitomycin C, the anti-tumor effect of the oncolytic virotherapy was significantly enhanced. Moreover, hyper-IL-6 expression greatly reduced the time interval during which the mice suffered from chemotherapy-induced thrombocytopenia. Conclusion Therefore, future clinical application would benefit from careful investigation of additional cytokine treatment to reduce chemotherapy-induced side effects. PMID:22236378
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kutzler, F.W.; Painter, G.S.
1991-03-15
The rapid variation of charge and spin densities in atoms and molecules provides a severe test for local-density-functional theory and for the use of gradient corrections. In the study reported in this paper, we use the Langreth, Mehl, and Hu (LMH) functional and the generalized gradient approximation (GGA) of Perdew and Yue to calculate {ital s}-{ital d} transition energies, 4{ital s} ionization energies, and 3{ital d} ionization energies for the 3{ital d} transition-metal atoms. These calculations are compared with results from the local-density functional of Vosko, Wilk, and Nusair. By comparison with experimental energies, we find that the gradient functionalsmore » are only marginally more successful than the local-density approximation in calculating energy differences between states in transition-metal atoms. The GGA approximation is somewhat better than the LMH functional for most of the atoms studied, although there are several exceptions.« less
Drake, John H; Özcan, Ender; Burke, Edmund K
2016-01-01
Hyper-heuristics are high-level methodologies for solving complex problems that operate on a search space of heuristics. In a selection hyper-heuristic framework, a heuristic is chosen from an existing set of low-level heuristics and applied to the current solution to produce a new solution at each point in the search. The use of crossover low-level heuristics is possible in an increasing number of general-purpose hyper-heuristic tools such as HyFlex and Hyperion. However, little work has been undertaken to assess how best to utilise it. Since a single-point search hyper-heuristic operates on a single candidate solution, and two candidate solutions are required for crossover, a mechanism is required to control the choice of the other solution. The frameworks we propose maintain a list of potential solutions for use in crossover. We investigate the use of such lists at two conceptual levels. First, crossover is controlled at the hyper-heuristic level where no problem-specific information is required. Second, it is controlled at the problem domain level where problem-specific information is used to produce good-quality solutions to use in crossover. A number of selection hyper-heuristics are compared using these frameworks over three benchmark libraries with varying properties for an NP-hard optimisation problem: the multidimensional 0-1 knapsack problem. It is shown that allowing crossover to be managed at the domain level outperforms managing crossover at the hyper-heuristic level in this problem domain.
Hyper-heuristics with low level parameter adaptation.
Ren, Zhilei; Jiang, He; Xuan, Jifeng; Luo, Zhongxuan
2012-01-01
Recent years have witnessed the great success of hyper-heuristics applying to numerous real-world applications. Hyper-heuristics raise the generality of search methodologies by manipulating a set of low level heuristics (LLHs) to solve problems, and aim to automate the algorithm design process. However, those LLHs are usually parameterized, which may contradict the domain independent motivation of hyper-heuristics. In this paper, we show how to automatically maintain low level parameters (LLPs) using a hyper-heuristic with LLP adaptation (AD-HH), and exemplify the feasibility of AD-HH by adaptively maintaining the LLPs for two hyper-heuristic models. Furthermore, aiming at tackling the search space expansion due to the LLP adaptation, we apply a heuristic space reduction (SAR) mechanism to improve the AD-HH framework. The integration of the LLP adaptation and the SAR mechanism is able to explore the heuristic space more effectively and efficiently. To evaluate the performance of the proposed algorithms, we choose the p-median problem as a case study. The empirical results show that with the adaptation of the LLPs and the SAR mechanism, the proposed algorithms are able to achieve competitive results over the three heterogeneous classes of benchmark instances.
Micromechanics and Piezo Enhancements of HyperSizer
NASA Technical Reports Server (NTRS)
Arnold, Steven M.; Bednarcyk, Brett A.; Yarrington, Phillip; Collier, Craig S.
2006-01-01
The commercial HyperSizer aerospace-composite-material-structure-sizing software has been enhanced by incorporating capabilities for representing coupled thermal, piezoelectric, and piezomagnetic effects on the levels of plies, laminates, and stiffened panels. This enhancement is based on a formulation similar to that of the pre-existing HyperSizer capability for representing thermal effects. As a result of this enhancement, the electric and/or magnetic response of a material or structure to a mechanical or thermal load, or its mechanical response to an applied electric or magnetic field can be predicted. In another major enhancement, a capability for representing micromechanical effects has been added by establishment of a linkage between HyperSizer and Glenn Research Center s Micromechanics Analysis Code With Generalized Method of Cells (MAC/GMC) computer program, which was described in several prior NASA Tech Briefs articles. The linkage enables Hyper- Sizer to localize to the fiber and matrix level rather than only to the ply level, making it possible to predict local failures and to predict properties of plies from those of the component fiber and matrix materials. Advanced graphical user interfaces and database structures have been developed to support the new HyperSizer micromechanics capabilities.
Solving the Hamilton-Jacobi equation for general relativity
NASA Astrophysics Data System (ADS)
Parry, J.; Salopek, D. S.; Stewart, J. M.
1994-03-01
We demonstrate a systematic method for solving the Hamilton-Jacobi equation for general relativity with the inclusion of matter fields. The generating functional is expanded in a series of spatial gradients. Each term is manifestly invariant under reparametrizations of the spatial coordinates (``gauge invariant''). At each order we solve the Hamiltonian constraint using a conformal transformation of the three-metric as well as a line integral in superspace. This gives a recursion relation for the generating functional which then may be solved to arbitrary order simply by functionally differentiating previous orders. At fourth order in spatial gradients we demonstrate solutions for irrotational dust as well as for a scalar field. We explicitly evolve the three-metric to the same order. This method can be used to derive the Zel'dovich approximation for general relativity.
Śmiga, Szymon; Fabiano, Eduardo; Laricchia, Savio; Constantin, Lucian A; Della Sala, Fabio
2015-04-21
We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals for non-bonded molecular systems. Meta-GGA functionals depend on the Kohn-Sham kinetic energy density (KED), which is not known as an explicit functional of the density. Therefore, they cannot be directly applied in subsystem DFT calculations. We propose a Laplacian-level approximation to the KED which overcomes this limitation and provides a simple and accurate way to apply meta-GGA exchange-correlation functionals in subsystem DFT calculations. The so obtained density and energy errors, with respect to the corresponding supermolecular calculations, are comparable with conventional approaches, depending almost exclusively on the approximations in the non-additive kinetic embedding term. An embedding energy error decomposition explains the accuracy of our method.
A Comparison of Genetic Programming Variants for Hyper-Heuristics
DOE Office of Scientific and Technical Information (OSTI.GOV)
Harris, Sean
Modern society is faced with ever more complex problems, many of which can be formulated as generate-and-test optimization problems. General-purpose optimization algorithms are not well suited for real-world scenarios where many instances of the same problem class need to be repeatedly and efficiently solved, such as routing vehicles over highways with constantly changing traffic flows, because they are not targeted to a particular scenario. Hyper-heuristics automate the design of algorithms to create a custom algorithm for a particular scenario. Hyper-heuristics typically employ Genetic Programming (GP) and this project has investigated the relationship between the choice of GP and performance inmore » Hyper-heuristics. Results are presented demonstrating the existence of problems for which there is a statistically significant performance differential between the use of different types of GP.« less
Highly efficient hyperentanglement concentration with two steps assisted by quantum swap gates.
Ren, Bao-Cang; Long, Gui Lu
2015-11-10
We present a two-step hyperentanglement concentration protocol (hyper-ECP) for polarization-spatial hyperentangled Bell states based on the high-capacity character of hyperentanglement resorting to the swap gates, which is used to obtain maximally hyperentangled states from partially hyperentangled pure states in long-distance quantum communication. The swap gate, which is constructed with the giant optical circular birefringence (GOCB) of a diamond nitrogen-vacancy (NV) center embedded in a photonic crystal cavity, can be used to transfer the information in one degree of freedom (DOF) between photon systems. By transferring the useful information between hyperentangled photon pairs, more photon pairs in maximally hyperentangled state can be obtained in our hyper-ECP, and the success probability of the hyper-ECP is greatly improved. Moreover, we show that the high-fidelity quantum gate operations can be achieved by mapping the infidelities to heralded losses even in the weak coupling regime.
Highly efficient hyperentanglement concentration with two steps assisted by quantum swap gates
Ren, Bao-Cang; Long, Gui Lu
2015-01-01
We present a two-step hyperentanglement concentration protocol (hyper-ECP) for polarization-spatial hyperentangled Bell states based on the high-capacity character of hyperentanglement resorting to the swap gates, which is used to obtain maximally hyperentangled states from partially hyperentangled pure states in long-distance quantum communication. The swap gate, which is constructed with the giant optical circular birefringence (GOCB) of a diamond nitrogen-vacancy (NV) center embedded in a photonic crystal cavity, can be used to transfer the information in one degree of freedom (DOF) between photon systems. By transferring the useful information between hyperentangled photon pairs, more photon pairs in maximally hyperentangled state can be obtained in our hyper-ECP, and the success probability of the hyper-ECP is greatly improved. Moreover, we show that the high-fidelity quantum gate operations can be achieved by mapping the infidelities to heralded losses even in the weak coupling regime. PMID:26552898
Fast, Deep-Record-Length, Fiber-Coupled Photodiode Imaging Array for Plasma Diagnostics
NASA Astrophysics Data System (ADS)
Brockington, Samuel; Case, Andrew; Witherspoon, F. Douglas
2015-11-01
HyperV Technologies has been developing an imaging diagnostic comprised of an array of fast, low-cost, long-record-length, fiber-optically-coupled photodiode channels to investigate plasma dynamics and other fast, bright events. By coupling an imaging fiber bundle to a bank of amplified photodiode channels, imagers and streak imagers can be constructed. By interfacing analog photodiode systems directly to commercial analog-to-digital converters and modern memory chips, a scalable solution for 100 to 1000 pixel systems with 14 bit resolution and record-lengths of 128k frames has been developed. HyperV is applying these techniques to construct a prototype 1000 Pixel framing camera with up to 100 Msamples/sec rate and 10 to 14 bit depth. Preliminary experimental results as well as future plans will be discussed. Work supported by USDOE Phase 2 SBIR Grant DE-SC0009492.
Fast, Deep-Record-Length, Fiber-Coupled Photodiode Imaging Array for Plasma Diagnostics
NASA Astrophysics Data System (ADS)
Brockington, Samuel; Case, Andrew; Witherspoon, F. Douglas
2014-10-01
HyperV Technologies has been developing an imaging diagnostic comprised of an array of fast, low-cost, long-record-length, fiber-optically-coupled photodiode channels to investigate plasma dynamics and other fast, bright events. By coupling an imaging fiber bundle to a bank of amplified photodiode channels, imagers and streak imagers of 100 to 1000 pixels can be constructed. By interfacing analog photodiode systems directly to commercial analog-to-digital converters and modern memory chips, a prototype 100 pixel array with an extremely deep record length (128 k points at 20 Msamples/s) and 10 bit pixel resolution has already been achieved. HyperV now seeks to extend these techniques to construct a prototype 1000 Pixel framing camera with up to 100 Msamples/sec rate and 10 to 12 bit depth. Preliminary experimental results as well as Phase 2 plans will be discussed. Work supported by USDOE Phase 2 SBIR Grant DE-SC0009492.
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.
NASA Astrophysics Data System (ADS)
Yoav, Avni; Noa, Avriel-Avni
2017-04-01
The great challenges of living in the arid and hyper arid regions worldwide are the shortage of water, limited resources and the permanent uncertainty of the desert climate. These challenges are known as the main weaknesses of desert societies that are prone, according to the existing paradigm, to a permanent risk of collapse. However, in the Middle East deserts, human societies are known since prehistoric times and during the entire hyper-dry Holocene. This hints that the simple paradigm of desert societies' high vulnerability to harsh desert environments needs to be better examined. In this context we examine three case studies: 1. The Southern Sinai region in Egypt: In this region, the annual precipitation fluctuates between 20-50 mm/y. However, in this highly mountainous area, desert agriculture plots including orchards were constructed, located mainly around the byzantine monastery of Santa Katerina. During the last 1500 years, much of the water supply needed for humans and agriculture was generated from runoff developed on exposed granite rocks. 2. The southern Jordan region south of Petra: Much of this wide area connecting the deserts of the Arabian Peninsula and southern Jordan receive only 20-30 mm/y. However, the main caravan route established by the Arabian tribes during the first millennia BC managed to cross this land, supplying the water needs of many camels. Most of this water was stored in large cisterns dug into the sandstone rock formations exposed along the route, especially within the Disi Formation. 3. The Negev Highlands of southern Israel: This region is divided between the hyper arid region to the south, receiving 70-80 mm/y, and the arid region to the north receiving 90-130 mm/y. During the last two millennia, the hyper arid area was used for camel grazing and goats herds, while the northern sector was used for the construction of agriculture plots, agriculture farms and even desert towns. All these activities were sustained by runoff harvesting techniques. Water was stored in hundreds of cisterns dug into the soft rock formations. These three examples hint on: 1. The ability of desert societies to utilize the geodiversity for water supply, even under the harsh hyper-arid regions of the Middle East. 2. Given that the rock-climate relations and the environmental conditions were almost unchanged during the Holocene, the ability of desert societies to access drinking water even in the driest regions depended on their will to learn the conditions and invest human energy. 3. When conditions became extreme, the survival strategy of desert societies was to take advantage of their high mobilization and to move to better locations within the desert environment instead of investing large and costly efforts of constructing more water storage systems at a specific location. That was done only if a permanent enterprise was constructed, like caravan route, monastery or an urban center. These evidences hint on a very robust structure of desert societies compared to the present common paradigm, provided they are willing to learn and adapt their behavior to changes in the conditions.
NASA Astrophysics Data System (ADS)
Tape, Carl; Liu, Qinya; Tromp, Jeroen
2007-03-01
We employ adjoint methods in a series of synthetic seismic tomography experiments to recover surface wave phase-speed models of southern California. Our approach involves computing the Fréchet derivative for tomographic inversions via the interaction between a forward wavefield, propagating from the source to the receivers, and an `adjoint' wavefield, propagating from the receivers back to the source. The forward wavefield is computed using a 2-D spectral-element method (SEM) and a phase-speed model for southern California. A `target' phase-speed model is used to generate the `data' at the receivers. We specify an objective or misfit function that defines a measure of misfit between data and synthetics. For a given receiver, the remaining differences between data and synthetics are time-reversed and used as the source of the adjoint wavefield. For each earthquake, the interaction between the regular and adjoint wavefields is used to construct finite-frequency sensitivity kernels, which we call event kernels. An event kernel may be thought of as a weighted sum of phase-specific (e.g. P) banana-doughnut kernels, with weights determined by the measurements. The overall sensitivity is simply the sum of event kernels, which defines the misfit kernel. The misfit kernel is multiplied by convenient orthonormal basis functions that are embedded in the SEM code, resulting in the gradient of the misfit function, that is, the Fréchet derivative. A non-linear conjugate gradient algorithm is used to iteratively improve the model while reducing the misfit function. We illustrate the construction of the gradient and the minimization algorithm, and consider various tomographic experiments, including source inversions, structural inversions and joint source-structure inversions. Finally, we draw connections between classical Hessian-based tomography and gradient-based adjoint tomography.
Nolte, Guido
2003-11-21
The equation for the magnetic lead field for a given magnetoencephalography (MEG) channel is well known for arbitrary frequencies omega but is not directly applicable to MEG in the quasi-static approximation. In this paper we derive an equation for omega = 0 starting from the very definition of the lead field instead of using Helmholtz's reciprocity theorems. The results are (a) the transpose of the conductivity times the lead field is divergence-free, and (b) the lead field differs from the one in any other volume conductor by a gradient of a scalar function. Consequently, for a piecewise homogeneous and isotropic volume conductor, the lead field is always tangential at the outermost surface. Based on this theoretical result, we formulated a simple and fast method for the MEG forward calculation for one shell of arbitrary shape: we correct the corresponding lead field for a spherical volume conductor by a superposition of basis functions, gradients of harmonic functions constructed here from spherical harmonics, with coefficients fitted to the boundary conditions. The algorithm was tested for a prolate spheroid of realistic shape for which the analytical solution is known. For high order in the expansion, we found the solutions to be essentially exact and for reasonable accuracies much fewer multiplications are needed than in typical implementations of the boundary element methods. The generalization to more shells is straightforward.
Two dissimilar approaches to dynamical systems on hyper MV -algebras and their information entropy
NASA Astrophysics Data System (ADS)
Mehrpooya, Adel; Ebrahimi, Mohammad; Davvaz, Bijan
2017-09-01
Measuring the flow of information that is related to the evolution of a system which is modeled by applying a mathematical structure is of capital significance for science and usually for mathematics itself. Regarding this fact, a major issue in concern with hyperstructures is their dynamics and the complexity of the varied possible dynamics that exist over them. Notably, the dynamics and uncertainty of hyper MV -algebras which are hyperstructures and extensions of a central tool in infinite-valued Lukasiewicz propositional calculus that models many valued logics are of primary concern. Tackling this problem, in this paper we focus on the subject of dynamical systems on hyper MV -algebras and their entropy. In this respect, we adopt two varied approaches. One is the set-based approach in which hyper MV -algebra dynamical systems are developed by employing set functions and set partitions. By the other method that is based on points and point partitions, we establish the concept of hyper injective dynamical systems on hyper MV -algebras. Next, we study the notion of entropy for both kinds of systems. Furthermore, we consider essential ergodic characteristics of those systems and their entropy. In particular, we introduce the concept of isomorphic hyper injective and hyper MV -algebra dynamical systems, and we demonstrate that isomorphic systems have the same entropy. We present a couple of theorems in order to help calculate entropy. In particular, we prove a contemporary version of addition and Kolmogorov-Sinai Theorems. Furthermore, we provide a comparison between the indispensable properties of hyper injective and semi-independent dynamical systems. Specifically, we present and prove theorems that draw comparisons between the entropies of such systems. Lastly, we discuss some possible relationships between the theories of hyper MV -algebra and MV -algebra dynamical systems.
NASA Technical Reports Server (NTRS)
Taylor, Arthur C., III; Hou, Gene W.; Korivi, Vamshi M.
1991-01-01
A gradient-based design optimization strategy for practical aerodynamic design applications is presented, which uses the 2D thin-layer Navier-Stokes equations. The strategy is based on the classic idea of constructing different modules for performing the major tasks such as function evaluation, function approximation and sensitivity analysis, mesh regeneration, and grid sensitivity analysis, all driven and controlled by a general-purpose design optimization program. The accuracy of aerodynamic shape sensitivity derivatives is validated on two viscous test problems: internal flow through a double-throat nozzle and external flow over a NACA 4-digit airfoil. A significant improvement in aerodynamic performance has been achieved in both cases. Particular attention is given to a consistent treatment of the boundary conditions in the calculation of the aerodynamic sensitivity derivatives for the classic problems of external flow over an isolated lifting airfoil on 'C' or 'O' meshes.
Short-arc measurement and fitting based on the bidirectional prediction of observed data
NASA Astrophysics Data System (ADS)
Fei, Zhigen; Xu, Xiaojie; Georgiadis, Anthimos
2016-02-01
To measure a short arc is a notoriously difficult problem. In this study, the bidirectional prediction method based on the Radial Basis Function Neural Network (RBFNN) to the observed data distributed along a short arc is proposed to increase the corresponding arc length, and thus improve its fitting accuracy. Firstly, the rationality of regarding observed data as a time series is discussed in accordance with the definition of a time series. Secondly, the RBFNN is constructed to predict the observed data where the interpolation method is used for enlarging the size of training examples in order to improve the learning accuracy of the RBFNN’s parameters. Finally, in the numerical simulation section, we focus on simulating how the size of the training sample and noise level influence the learning error and prediction error of the built RBFNN. Typically, the observed data coming from a 5{}^\\circ short arc are used to evaluate the performance of the Hyper method known as the ‘unbiased fitting method of circle’ with a different noise level before and after prediction. A number of simulation experiments reveal that the fitting stability and accuracy of the Hyper method after prediction are far superior to the ones before prediction.
Probing the molecular design of hyper-branched aryl polyesters towards lubricant applications
NASA Astrophysics Data System (ADS)
Robinson, Joshua W.; Zhou, Yan; Bhattacharya, Priyanka; Erck, Robert; Qu, Jun; Bays, J. Timothy; Cosimbescu, Lelia
2016-01-01
We report novel polymeric materials that may be used as viscosity index improvers (VII) for lubricant applications. Our efforts included probing the comb-burst hyper-branched aryl polyester architecture for beneficial viscosity and friction behavior when utilized as an additive in a group I oil. The monomer was designed as to undergo polymerization via polycondensation within the architectural construct (AB2), typical of hyperbranched polymers. The monomer design was comprised of aliphatic arms (12 or 16 methylenes) to provide the necessary lipophilicity to achieve solubility in a non-polar medium. Once polymerized, via catalyst and heat, the surface alcohols were functionalized with fatty acids (lauric and palmitic). Controlling the aliphatic nature of the internal arms and peripheral end-groups provided four unique flexible polymer designs. Changing the reaction time and concentration provided opportunities to investigate the influence of molecular weight and branching density on oil-solubility, viscosity, and friction. Oil-solubility was found to decrease with fewer internal carbons, but the number of internal carbons appears to have little influence on the bulk solution viscosity. At concentrations of 2 wt % in a group I base oil, these polymer additives demonstrated an improved viscosity index and reduced friction coefficient, validating the basic approach.
NASA Astrophysics Data System (ADS)
McKay, Christopher P.; Molaro, Jamie L.; Marinova, Margarita M.
2009-09-01
In desert environments with low water and salt contents, rapid thermal variations may be an important source of rock weathering. We have obtained temperature measurements of the surface of rocks in hyper-arid hot and cold desert environments at a rate of 1/s over several days. The values of temperature change over 1-second intervals were similar in hot and cold deserts despite a 30 °C difference in absolute rock surface temperature. The average percentage of the time dT/dt > 2 °C/min was ~ 8 ± 3%, > 4 °C/min was 1 ± 0.9%, and > 8 °C/min was 0.02 ± 0.03%. The maximum change over a 1-second interval was ~ 10 °C/min. When sampled to simulate data taken over intervals longer than 1 s, we found a reduction in time spent above the 2 °C/min temperature gradient threshold. For 1-minute samples, the time spent above any given threshold was about two orders of magnitude lower than the corresponding value for 1-second sampling. We suggest that a rough measure of efficacy of weathering as a function of frequency is the product of the percentage of time spent above a given threshold value multiplied by the damping depth for the corresponding frequency. This product has a broad maximum for periods between 3 and 10 s.
Anxiety and the aging brain: stressed out over p53?
Scrable, Heidi; Burns-Cusato, Melissa; Medrano, Silvia
2009-12-01
We propose a model in which cell loss in the aging brain is seen as a root cause of behavioral changes that compromise quality of life, including the onset of generalized anxiety disorder, in elderly individuals. According to this model, as stem cells in neurogenic regions of the adult brain lose regenerative capacity, worn-out, dead, or damaged neurons fail to be replaced, leaving gaps in function. As most replacement involves inhibitory interneurons, either directly or indirectly, the net result is the acquisition over time of a hyper-excitable state. The stress axis is subserved by all three neurogenic regions in the adult brain, making it particularly susceptible to these age-dependent changes. We outline a molecular mechanism by which hyper-excitation of the stress axis in turn activates the tumor suppressor p53. This reinforces the loss of stem cell proliferative capacity and interferes with the feedback mechanism by which the glucocorticoid receptor turns off neuroendocrine pathways and resets the axis.
NASA Astrophysics Data System (ADS)
Wang, Hong; Ren, Bao-Cang; Alzahrani, Faris; Hobiny, Aatef; Deng, Fu-Guo
2017-10-01
Hyperentanglement has significant applications in quantum information processing. Here we present an efficient hyperentanglement concentration protocol (hyper-ECP) for partially hyperentangled Bell states simultaneously entangled in polarization, spatial-mode and time-bin degrees of freedom (DOFs) with the parameter-splitting method, where the parameters of the partially hyperentangled Bell states are known to the remote parties. In this hyper-ECP, only one remote party is required to perform some local operations on the three DOFs of a photon, only the linear optical elements are considered, and the success probability can achieve the maximal value. Our hyper-ECP can be easily generalized to concentrate the N-photon partially hyperentangled Greenberger-Horne-Zeilinger states with known parameters, where the multiple DOFs have largely improved the channel capacity of long-distance quantum communication. All of these make our hyper-ECP more practical and useful in high-capacity long-distance quantum communication.
Liu, Bingyi; Zhao, Wenyu; Jiang, Yongyuan
2016-12-05
As the two dimensional version of the functional wavefront manipulation metamaterial, metasurface has become a research hot spot for engineering the wavefront at will with a subwavelength thickness. The wave scattered by the gradient metasurface, which is composed by the periodic supercells, is governed by the generalized Snell's law. However, the critical angle that derived from the generalized Snell's law circles the domain of the incident angles that allow the occurrence of the anomalous reflection and refraction, and no free space scattering waves could exist when the incident angle is beyond the critical angle. Here we theoretically demonstrate that apparent negative reflection can be realized by a gradient acoustic metasurface when the incident angle is beyond the critical angle. The underlying mechanism of the apparent negative reflection is understood as the higher order diffraction arising from the interaction between the local phase modulation and the non-local effects introduced by the supercell periodicity. The apparent negative reflection phenomena has been perfectly verified by the calculated scattered acoustic waves of the reflected gradient acoustic metasurface. This work may provide new freedom in designing functional acoustic signal modulation devices, such as acoustic isolator and acoustic illusion device.
USDA-ARS?s Scientific Manuscript database
Hyper-temporal remote sensing is capable of detecting detailed information on vegetation dynamics relating to plant functional types (PFT), a useful proxy for estimating soil physical and chemical properties. A central concept of PFT is that plant morphological and physiological adaptations are link...
Rincón-Hoyos, Hernán G; López, Mérida R Rodríguez; Ruiz, Ana María Villa; Hernández, Carlos Augusto; Ramos, Martha Lucía
2012-12-01
Hyper-frequentation in health services is a problem for patients, their families and the institutions. This study is aimed at determining the frequency and characteristics of common mental disorders in hyper-frequent patients showing vague symptoms and signs at a primary healthcare service during the year 2007 in the city of Cali (Colombia). Cross sectional. The most frequent mental disorders in hyper-frequent patients were detected through a telephone interview which included several modules of the PRIME MD instrument. In general, healthcare service hyper-frequenters are working women, 38,7-year old in average. Basically, the consultation is due to cephalalgia but they also exhibit a high prevalence of common mental disorders (somatization, depression and anxiety) not easily diagnosed by physicians in primary care. Expenses for additional health activities generated by these patients are attributed basically to medical consultation and required procedures. Considering hyper-frequenters in health care services as a risk group in terms of common mental disorders involves screening as an efficient strategy to prevent abuse in service use and to improve satisfaction with the attention received. Copyright © 2012 Asociación Colombiana de Psiquiatría. Publicado por Elsevier España. All rights reserved.
A Novel Gradient Vector Flow Snake Model Based on Convex Function for Infrared Image Segmentation
Zhang, Rui; Zhu, Shiping; Zhou, Qin
2016-01-01
Infrared image segmentation is a challenging topic because infrared images are characterized by high noise, low contrast, and weak edges. Active contour models, especially gradient vector flow, have several advantages in terms of infrared image segmentation. However, the GVF (Gradient Vector Flow) model also has some drawbacks including a dilemma between noise smoothing and weak edge protection, which decrease the effect of infrared image segmentation significantly. In order to solve this problem, we propose a novel generalized gradient vector flow snakes model combining GGVF (Generic Gradient Vector Flow) and NBGVF (Normally Biased Gradient Vector Flow) models. We also adopt a new type of coefficients setting in the form of convex function to improve the ability of protecting weak edges while smoothing noises. Experimental results and comparisons against other methods indicate that our proposed snakes model owns better ability in terms of infrared image segmentation than other snakes models. PMID:27775660
Thyroid status and nitric oxide in rat arterial vessels.
McAllister, R M; Albarracin, I; Price, E M; Smith, T K; Turk, J R; Wyatt, K D
2005-04-01
Thyroid disease has profound effects on cardiovascular function. Hypo- and hyperthyroidism, for example, are associated with reduced and increased maximal endothelium-dependent vasodilation respectively. We therefore hypothesized that the capacity for vascular nitric oxide (NO) formation is decreased in hypothyroidism and increased in hyperthyroidism. To test this hypothesis, rats were made hypothyroid (HYPO) with propylthiouracil or hyperthyroid (HYPER) with triiodothyronine over 3-4 months. Compared with euthyroid control rats (EUT), HYPO exhibited blunted growth and lower citrate synthase activity in the soleus muscle; HYPER exhibited left ventricular hypertrophy and higher citrate synthase activity in the soleus muscle (P<0.05 for all effects). The capacity for NO formation was determined in aortic extracts by formation of [3H]L-citrulline from [3H]L-arginine, i.e. NO synthase (NOS) activity. Thyroid status modulated NOS activity (EUT, 36.8 +/- 5.5 fmol/h per mg protein; HYPO, 26.0 +/- 7.9; HYPER, 64.6 +/- 12.7; P<0.05, HYPER vs HYPO). Expression of endothelial and neural isoforms of NOS was modulated by thyroid status in a parallel fashion. Capacity for responding to NO was also determined via measuring cGMP concentration in aortae incubated with sodium nitroprusside. Stimulated cGMP formation was also modulated by thyroid status (EUT, 73.0 +/- 20.2 pmol/mg protein; HYPO, 152.4 +/- 48.7; HYPER, 10.4 +/- 2.6; P<0.05, HYPER vs HYPO). These data indicate that thyroid status alters capacities for both formation of and responding to NO. The former finding may contribute to previous findings concerning vascular function in thyroid disease states.
vonHoldt, Bridgett M; Ji, Sarah S; Aardema, Matthew L; Stahler, Daniel; Udell, Monique A R; Sinsheimer, Janet S
2018-06-01
In canines, transposon dynamics have been associated with a hyper-social behavioral syndrome, although the functional mechanism has yet to be described. We investigate the epigenetic and transcriptional consequences of these behavior-associated mobile element insertions in dogs and Yellowstone wolves. We posit that the transposons themselves may not be the causative feature; rather, their transcriptional regulation may exert the functional impact. We survey four outlier transposons associated with hyper-sociability, with the expectation that they are targeted for epigenetic silencing. We predict hyper-methylation of mobile element insertions (MEIs), suggestive that the epigenetic silencing of and not the MEIs themselves may be driving dysregulation of nearby genes. We found that transposon-derived sequences are significantly hyper-methylated, regardless of their copy number or species. Further, we have assessed transcriptome sequence data and found evidence that mobile element insertions impact the expression levels of six genes (WBSCR17, LIMK1, GTF2I, WBSCR27, BAZ1B, and BCL7B), all of which have known roles in human Williams-Beuren syndrome due to changes in copy number, typically hemizygosity. Although further evidence is needed, our results suggest that a few insertions alter local expression at multiple genes, likely through a cis-regulatory mechanism that excludes proximal methylation.
NASA Technical Reports Server (NTRS)
Rendell, Alistair P.; Lee, Timothy J.
1991-01-01
The analytic energy gradient for the single and double excitation coupled-cluster (CCSD) wave function has been reformulated and implemented in a new set of programs. The reformulated set of gradient equations have a smaller computational cost than any previously published. The iterative solution of the linear equations and the construction of the effective density matrices are fully vectorized, being based on matrix multiplications. The new method has been used to investigate the Cl2O2 molecule, which has recently been postulated as an important intermediate in the destruction of ozone in the stratosphere. In addition to reporting computational timings, the CCSD equilibrium geometries, harmonic vibrational frequencies, infrared intensities, and relative energetics of three isomers of Cl2O2 are presented.
Pedraza, Eileen; Coronel, Maria M.; Fraker, Christopher A.; Ricordi, Camillo; Stabler, Cherie L.
2012-01-01
A major hindrance in engineering tissues containing highly metabolically active cells is the insufficient oxygenation of these implants, which results in dying or dysfunctional cells in portions of the graft. The development of methods to increase oxygen availability within tissue-engineered implants, particularly during the early engraftment period, would serve to allay hypoxia-induced cell death. Herein, we designed and developed a hydrolytically activated oxygen-generating biomaterial in the form of polydimethylsiloxane (PDMS)-encapsulated solid calcium peroxide, PDMS-CaO2. Encapsulation of solid peroxide within hydrophobic PDMS resulted in sustained oxygen generation, whereby a single disk generated oxygen for more than 6 wk at an average rate of 0.026 mM per day. The ability of this oxygen-generating material to support cell survival was evaluated using a β cell line and pancreatic rat islets. The presence of a single PDMS-CaO2 disk eliminated hypoxia-induced cell dysfunction and death for both cell types, resulting in metabolic function and glucose-dependent insulin secretion comparable to that in normoxic controls. A single PDMS-CaO2 disk also sustained enhanced β cell proliferation for more than 3 wk under hypoxic culture conditions. Incorporation of these materials within 3D constructs illustrated the benefits of these materials to prevent the development of detrimental oxygen gradients within large implants. Mathematical simulations permitted accurate prediction of oxygen gradients within 3D constructs and highlighted conditions under which supplementation of oxygen tension would serve to benefit cellular viability. Given the generality of this platform, the translation of these materials to other cell-based implants, as well as ischemic tissues in general, is envisioned. PMID:22371586
Modeling the nitrogen cycle one gene at a time
NASA Astrophysics Data System (ADS)
Coles, V.; Stukel, M. R.; Hood, R. R.; Moran, M. A.; Paul, J. H.; Satinsky, B.; Zielinski, B.; Yager, P. L.
2016-02-01
Marine ecosystem models are lagging the revolution in microbial oceanography. As a result, modeling of the nitrogen cycle has largely failed to leverage new genomic information on nitrogen cycling pathways and the organisms that mediate them. We developed a nitrogen based ecosystem model whose community is determined by randomly assigning functional genes to build each organism's "DNA". Microbes are assigned a size that sets their baseline environmental responses using allometric response curves. These responses are modified by the costs and benefits conferred by each gene in an organism's genome. The microbes are embedded in a general circulation model where environmental conditions shape the emergent population. This model is used to explore whether organisms constructed from randomized combinations of metabolic capability alone can self-organize to create realistic oceanic biogeochemical gradients. Community size spectra and chlorophyll-a concentrations emerge in the model with reasonable fidelity to observations. The model is run repeatedly with randomly-generated microbial communities and each time realistic gradients in community size spectra, chlorophyll-a, and forms of nitrogen develop. This supports the hypothesis that the metabolic potential of a community rather than the realized species composition is the primary factor setting vertical and horizontal environmental gradients. Vertical distributions of nitrogen and transcripts for genes involved in nitrification are broadly consistent with observations. Modeled gene and transcript abundance for nitrogen cycling and processing of land-derived organic material match observations along the extreme gradients in the Amazon River plume, and they help to explain the factors controlling observed variability.
The quasar luminosity function at redshift 4 with the Hyper Suprime-Cam Wide Survey
NASA Astrophysics Data System (ADS)
Akiyama, Masayuki; He, Wanqiu; Ikeda, Hiroyuki; Niida, Mana; Nagao, Tohru; Bosch, James; Coupon, Jean; Enoki, Motohiro; Imanishi, Masatoshi; Kashikawa, Nobunari; Kawaguchi, Toshihiro; Komiyama, Yutaka; Lee, Chien-Hsiu; Matsuoka, Yoshiki; Miyazaki, Satoshi; Nishizawa, Atsushi J.; Oguri, Masamune; Ono, Yoshiaki; Onoue, Masafusa; Ouchi, Masami; Schulze, Andreas; Silverman, John D.; Tanaka, Manobu M.; Tanaka, Masayuki; Terashima, Yuichi; Toba, Yoshiki; Ueda, Yoshihiro
2018-01-01
We present the luminosity function of z ˜ 4 quasars based on the Hyper Suprime-Cam Subaru Strategic Program Wide layer imaging data in the g, r, i, z, and y bands covering 339.8 deg2. From stellar objects, 1666 z ˜ 4 quasar candidates are selected via the g-dropout selection down to i = 24.0 mag. Their photometric redshifts cover the redshift range between 3.6 and 4.3, with an average of 3.9. In combination with the quasar sample from the Sloan Digital Sky Survey in the same redshift range, a quasar luminosity function covering the wide luminosity range of M1450 = -22 to -29 mag is constructed. The quasar luminosity function is well described by a double power-law model with a knee at M1450 = -25.36 ± 0.13 mag and a flat faint-end slope with a power-law index of -1.30 ± 0.05. The knee and faint-end slope show no clear evidence of redshift evolution from those seen at z ˜ 2. The flat slope implies that the UV luminosity density of the quasar population is dominated by the quasars around the knee, and does not support the steeper faint-end slope at higher redshifts reported at z > 5. If we convert the M1450 luminosity function to the hard X-ray 2-10 keV luminosity function using the relation between the UV and X-ray luminosity of quasars and its scatter, the number density of UV-selected quasars matches well with that of the X-ray-selected active galactic nuclei (AGNs) above the knee of the luminosity function. Below the knee, the UV-selected quasars show a deficiency compared to the hard X-ray luminosity function. The deficiency can be explained by the lack of obscured AGNs among the UV-selected quasars.
Hosseinbor, A. Pasha; Chung, Moo K.; Schaefer, Stacey M.; van Reekum, Carien M.; Peschke-Schmitz, Lara; Sutterer, Matt; Alexander, Andrew L.; Davidson, Richard J.
2014-01-01
We present a novel surface parameterization technique using hyperspherical harmonics (HSH) in representing compact, multiple, disconnected brain subcortical structures as a single analytic function. The proposed hyperspherical harmonic representation (HyperSPHARM) has many advantages over the widely used spherical harmonic (SPHARM) parameterization technique. SPHARM requires flattening 3D surfaces to 3D sphere which can be time consuming for large surface meshes, and can’t represent multiple disconnected objects with single parameterization. On the other hand, HyperSPHARM treats 3D object, via simple stereographic projection, as a surface of 4D hypersphere with extremely large radius, hence avoiding the computationally demanding flattening process. HyperSPHARM is shown to achieve a better reconstruction with only 5 basis compared to SPHARM that requires more than 441. PMID:24505716
Chern-Simons-Rozansky-Witten topological field theory
NASA Astrophysics Data System (ADS)
Kapustin, Anton; Saulina, Natalia
2009-12-01
We construct and study a new topological field theory in three dimensions. It is a hybrid between Chern-Simons and Rozansky-Witten theory and can be regarded as a topologically-twisted version of the N=4d=3 supersymmetric gauge theory recently discovered by Gaiotto and Witten. The model depends on a gauge group G and a hyper-Kähler manifold X with a tri-holomorphic action of G. In the case when X is an affine space, we show that the model is equivalent to Chern-Simons theory whose gauge group is a supergroup. This explains the role of Lie superalgebras in the construction of Gaiotto and Witten. For general X, our model appears to be new. We describe some of its properties, focusing on the case when G is simple and X is the cotangent bundle of the flag variety of G. In particular, we show that Wilson loops are labeled by objects of a certain category which is a quantum deformation of the equivariant derived category of coherent sheaves on X.
Optimization in Quaternion Dynamic Systems: Gradient, Hessian, and Learning Algorithms.
Xu, Dongpo; Xia, Yili; Mandic, Danilo P
2016-02-01
The optimization of real scalar functions of quaternion variables, such as the mean square error or array output power, underpins many practical applications. Solutions typically require the calculation of the gradient and Hessian. However, real functions of quaternion variables are essentially nonanalytic, which are prohibitive to the development of quaternion-valued learning systems. To address this issue, we propose new definitions of quaternion gradient and Hessian, based on the novel generalized Hamilton-real (GHR) calculus, thus making a possible efficient derivation of general optimization algorithms directly in the quaternion field, rather than using the isomorphism with the real domain, as is current practice. In addition, unlike the existing quaternion gradients, the GHR calculus allows for the product and chain rule, and for a one-to-one correspondence of the novel quaternion gradient and Hessian with their real counterparts. Properties of the quaternion gradient and Hessian relevant to numerical applications are also introduced, opening a new avenue of research in quaternion optimization and greatly simplified the derivations of learning algorithms. The proposed GHR calculus is shown to yield the same generic algorithm forms as the corresponding real- and complex-valued algorithms. Advantages of the proposed framework are illuminated over illustrative simulations in quaternion signal processing and neural networks.
Hyper-spectral image segmentation using spectral clustering with covariance descriptors
NASA Astrophysics Data System (ADS)
Kursun, Olcay; Karabiber, Fethullah; Koc, Cemalettin; Bal, Abdullah
2009-02-01
Image segmentation is an important and difficult computer vision problem. Hyper-spectral images pose even more difficulty due to their high-dimensionality. Spectral clustering (SC) is a recently popular clustering/segmentation algorithm. In general, SC lifts the data to a high dimensional space, also known as the kernel trick, then derive eigenvectors in this new space, and finally using these new dimensions partition the data into clusters. We demonstrate that SC works efficiently when combined with covariance descriptors that can be used to assess pixelwise similarities rather than in the high-dimensional Euclidean space. We present the formulations and some preliminary results of the proposed hybrid image segmentation method for hyper-spectral images.
Fast Fiber-Coupled Imaging Devices
DOE Office of Scientific and Technical Information (OSTI.GOV)
Brockington, Samuel; Case, Andrew; Witherspoon, Franklin Douglas
HyperV Technologies Corp. has successfully designed, built and experimentally demonstrated a full scale 1024 pixel 100 MegaFrames/s fiber coupled camera with 12 or 14 bits, and record lengths of 32K frames, exceeding our original performance objectives. This high-pixel-count, fiber optically-coupled, imaging diagnostic can be used for investigating fast, bright plasma events. In Phase 1 of this effort, a 100 pixel fiber-coupled fast streak camera for imaging plasma jet profiles was constructed and successfully demonstrated. The resulting response from outside plasma physics researchers emphasized development of increased pixel performance as a higher priority over increasing pixel count. In this Phase 2more » effort, HyperV therefore focused on increasing the sample rate and bit-depth of the photodiode pixel designed in Phase 1, while still maintaining a long record length and holding the cost per channel to levels which allowed up to 1024 pixels to be constructed. Cost per channel was 53.31 dollars, very close to our original target of $50 per channel. The system consists of an imaging "camera head" coupled to a photodiode bank with an array of optical fibers. The output of these fast photodiodes is then digitized at 100 Megaframes per second and stored in record lengths of 32,768 samples with bit depths of 12 to 14 bits per pixel. Longer record lengths are possible with additional memory. A prototype imaging system with up to 1024 pixels was designed and constructed and used to successfully take movies of very fast moving plasma jets as a demonstration of the camera performance capabilities. Some faulty electrical components on the 64 circuit boards resulted in only 1008 functional channels out of 1024 on this first generation prototype system. We experimentally observed backlit high speed fan blades in initial camera testing and then followed that with full movies and streak images of free flowing high speed plasma jets (at 30-50 km/s). Jet structure and jet collisions onto metal pillars in the path of the plasma jets were recorded in a single shot. This new fast imaging system is an attractive alternative to conventional fast framing cameras for applications and experiments where imaging events using existing techniques are inefficient or impossible. The development of HyperV's new diagnostic was split into two tracks: a next generation camera track, in which HyperV built, tested, and demonstrated a prototype 1024 channel camera at its own facility, and a second plasma community beta test track, where selected plasma physics programs received small systems of a few test pixels to evaluate the expected performance of a full scale camera on their experiments. These evaluations were performed as part of an unfunded collaboration with researchers at Los Alamos National Laboratory and the University of California at Davis. Results from the prototype 1024-pixel camera are discussed, as well as results from the collaborations with test pixel system deployment sites.« less
Tashiro, Yukihiro; Tabata, Hanae; Itahara, Asuka; Shimizu, Natsuki; Tashiro, Kosuke; Sakai, Kenji
2016-11-01
A unique compost, Satsuma soil, is produced from three types of wastewater sludge using hyper-thermal processes at temperatures much higher than that of general thermophilic processes in Kagoshima City, Japan. We analyzed the bacterial community structures of this hyper-thermal compost sample and other sludges and composts by a high-throughput barcoded pyrosequencing method targeting the 16S rRNA gene. In total, 621,076 reads were derived from 17 samples and filtered. Artificial sequences were deleted and the reads were clustered based on the operational taxonomic units (OTUs) at 97% similarity. Phylum-level analysis of the hyper-thermal compost revealed drastic changes of the sludge structures (each relative abundance) from Firmicutes (average 47.8%), Proteobacteria (average 22.3%), and Bacteroidetes (average 10.1%) to two main phyla including Firmicutes (73.6%) and Actinobacteria (25.0%) with less Proteobacteria (∼0.3%) and Bacteroidetes (∼0.1%). Furthermore, we determined the predominant species (each relative abundance) of the hyper-thermal compost including Firmicutes related to Staphylococcus cohnii (13.8%), Jeotgalicoccus coquinae (8.01%), and Staphylococcus lentus (5.96%), and Actinobacteria related to Corynebacterium stationis (6.41%), and found that these species were not predominant in wastewater sludge. In contrast, we did not observe any common structures among eight other composts produced, using the hyper-thermal composts as the inoculums, under thermophilic conditions from different materials. Principle coordinate analysis of the hyper-thermal compost indicated a large difference in bacterial community structures from material sludge and other composts. These results suggested that a distinct bacterial community structure was formed by hyper-thermal composting. Copyright © 2016 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.
Development of hyper osmotic resistant CHO host cells for enhanced antibody production.
Kamachi, Yasuharu; Omasa, Takeshi
2018-04-01
Cell culture platform processes are generally employed to shorten the duration of new product development. A fed-batch process with continuous feeding is a conventional platform process for monoclonal antibody production using Chinese hamster ovary (CHO) cells. To establish a simplified platform process, the feeding method can be changed from continuous feed to bolus feed. However, this change induces a rapid increase of osmolality by the bolus addition of nutrients. The increased osmolality suppresses cell culture growth, and the final product concentration is decreased. In this study, osmotic resistant CHO host cells were developed to attain a high product concentration. To establish hyper osmotic resistant CHO host cells, CHO-S host cells were passaged long-term in a hyper osmotic basal medium. There were marked differences in cell growth of the original and established host cells under iso- (328 mOsm/kg) or hyper-osmolality (over 450 mOsm/kg) conditions. Cell growth of the original CHO host cells was markedly decreased by the induction of osmotic stress, whereas cell growth of the hyper osmotic resistant CHO host cells was not affected. The maximum viable cell concentration of hyper osmotic resistant CHO host cells was 132% of CHO-S host cells after the induction of osmotic stress. Moreover, the hyper osmotic resistant characteristic of established CHO host cells was maintained even after seven passages in iso-osmolality basal medium. The use of hyper osmotic resistance CHO host cells to create a monoclonal antibody production cell line might be a new approach to increase final antibody concentrations with a fed-batch process. Copyright © 2017 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.
Roerig, David L.; Haworth, Steven T.; Clough, Anne V.
2012-01-01
Rat exposure to 60% oxygen (O2) for 7 days (hyper-60) or to >95% O2 for 2 days followed by 24 h in room air (hyper-95R) confers susceptibility or tolerance, respectively, of the otherwise lethal effects of subsequent exposure to 100% O2. The objective of this study was to determine if lung retention of the radiopharmaceutical agent technetium-labeled-hexamethylpropyleneamine oxime (HMPAO) is differentially altered in hyper-60 and hyper-95R rats. Tissue retention of HMPAO is dependent on intracellular content of the antioxidant GSH and mitochondrial function. HMPAO was injected intravenously in anesthetized rats, and planar images were acquired. We investigated the role of GSH in the lung retention of HMPAO by pretreating rats with the GSH-depleting agent diethyl maleate (DEM) prior to imaging. We also measured GSH content and activities of mitochondrial complexes I and IV in lung homogenate. The lung retention of HMPAO increased by ∼50% and ∼250% in hyper-60 and hyper-95R rats, respectively, compared with retention in rats exposed to room air (normoxic). DEM decreased retention in normoxic (∼26%) and hyper-95R (∼56%) rats compared with retention in the absence of DEM. GSH content increased by 19% and 40% in hyper-60 and hyper-95R lung homogenate compared with normoxic lung homogenate. Complex I activity decreased by ∼50% in hyper-60 and hyper-95R lung homogenate compared with activity in normoxic lung homogenate. However, complex IV activity was increased by 32% in hyper-95R lung homogenate only. Furthermore, we identified correlations between the GSH content in lung homogenate and the DEM-sensitive fraction of HMPAO retention and between the complex IV/complex I activity ratio and the DEM-insensitive fraction of HMPAO retention. These results suggest that an increase in the GSH-dependent component of the lung retention of HMPAO may be a marker of tolerance to sustained exposure to hyperoxia. PMID:22628374
Audi, Said H; Roerig, David L; Haworth, Steven T; Clough, Anne V
2012-08-15
Rat exposure to 60% oxygen (O(2)) for 7 days (hyper-60) or to >95% O(2) for 2 days followed by 24 h in room air (hyper-95R) confers susceptibility or tolerance, respectively, of the otherwise lethal effects of subsequent exposure to 100% O(2). The objective of this study was to determine if lung retention of the radiopharmaceutical agent technetium-labeled-hexamethylpropyleneamine oxime (HMPAO) is differentially altered in hyper-60 and hyper-95R rats. Tissue retention of HMPAO is dependent on intracellular content of the antioxidant GSH and mitochondrial function. HMPAO was injected intravenously in anesthetized rats, and planar images were acquired. We investigated the role of GSH in the lung retention of HMPAO by pretreating rats with the GSH-depleting agent diethyl maleate (DEM) prior to imaging. We also measured GSH content and activities of mitochondrial complexes I and IV in lung homogenate. The lung retention of HMPAO increased by ≈ 50% and ≈ 250% in hyper-60 and hyper-95R rats, respectively, compared with retention in rats exposed to room air (normoxic). DEM decreased retention in normoxic (≈ 26%) and hyper-95R (≈ 56%) rats compared with retention in the absence of DEM. GSH content increased by 19% and 40% in hyper-60 and hyper-95R lung homogenate compared with normoxic lung homogenate. Complex I activity decreased by ≈ 50% in hyper-60 and hyper-95R lung homogenate compared with activity in normoxic lung homogenate. However, complex IV activity was increased by 32% in hyper-95R lung homogenate only. Furthermore, we identified correlations between the GSH content in lung homogenate and the DEM-sensitive fraction of HMPAO retention and between the complex IV/complex I activity ratio and the DEM-insensitive fraction of HMPAO retention. These results suggest that an increase in the GSH-dependent component of the lung retention of HMPAO may be a marker of tolerance to sustained exposure to hyperoxia.
Means, Mary M.; Ahn, Changwoo; Noe, Gregory
2017-01-01
The resilience of constructed wetland ecosystems to severe disturbance, such as a mass herbivory eat-out or soil disturbance, remains poorly understood. In this study, we use a controlled mesocosm experiment to examine how original planting diversity affects the ability of constructed freshwater wetlands to recover structurally and functionally after a disturbance (i.e., aboveground harvesting and soil coring). We assessed if the planting richness of macrophyte species influences recovery of constructed wetlands one year after a disturbance. Mesocosms were planted in richness groups with various combinations of either 1, 2, 3, or 4 species (RG 1–4) to create a gradient of richness. Structural wetland traits measured include morphological regrowth of macrophytes, soil bulk density, soil moisture, soil %C, and soil %N. Functional wetland traits measured include above ground biomass production, soil potential denitrification, and soil potential microbial respiration. Total mesocosm cover increased along the gradient of plant richness (43.5% in RG 1 to 84.5% in RG 4) in the growing season after the disturbance, although not all planted individuals recovered. This was largely attributed to the dominance of the obligate annual species. The morphology of each species was affected negatively by the disturbance, producing shorter, and fewer stems than in the years prior to the disturbance, suggesting that the communities had not fully recovered one year after the disturbance. Soil characteristics were almost uniform across the planting richness gradient, but for a few exceptions (%C, C:N, and non-growing season soil moisture were higher slightly in RG 2). Denitrification potential (DEA) increased with increasing planting richness and was influenced by the abundance and quality of soil C. Increased open space in unplanted mesocosms and mesocosms with lower species richness increased labile C, leading to higher C mineralization rates.
Single-step fabrication of quantum funnels via centrifugal colloidal casting of nanoparticle films
Kim, Jin Young; Adinolfi, Valerio; Sutherland, Brandon R.; Voznyy, Oleksandr; Kwon, S. Joon; Kim, Tae Wu; Kim, Jeongho; Ihee, Hyotcherl; Kemp, Kyle; Adachi, Michael; Yuan, Mingjian; Kramer, Illan; Zhitomirsky, David; Hoogland, Sjoerd; Sargent, Edward H.
2015-01-01
Centrifugal casting of composites and ceramics has been widely employed to improve the mechanical and thermal properties of functional materials. This powerful method has yet to be deployed in the context of nanoparticles—yet size–effect tuning of quantum dots is among their most distinctive and application-relevant features. Here we report the first gradient nanoparticle films to be constructed in a single step. By creating a stable colloid of nanoparticles that are capped with electronic-conduction-compatible ligands we were able to leverage centrifugal casting for thin-films devices. This new method, termed centrifugal colloidal casting, is demonstrated to form films in a bandgap-ordered manner with efficient carrier funnelling towards the lowest energy layer. We constructed the first quantum-gradient photodiode to be formed in a single deposition step and, as a result of the gradient-enhanced electric field, experimentally measured the highest normalized detectivity of any colloidal quantum dot photodetector. PMID:26165185
Effects of thyroid hormones on the antioxidative status in the uterus of young adult rats
KONG, Lingfa; WEI, Quanwei; FEDAIL, Jaafar Sulieman; SHI, Fangxiong; NAGAOKA, Kentaro; WATANABE, Gen
2015-01-01
Thyroid hormones and oxidative stress play significant roles in the normal functioning of the female reproductive system. Nitric oxide (NO), a free radical synthesized by nitric oxide synthases (NOS), participates in the regulation of thyroid function and is also a good biomarker for assessment of the oxidative stress status. Therefore, the purpose of this study was to investigate effects of thyroid hormones on uterine antioxidative status in young adult rats. Thirty immature female Sprague-Dawley rats were randomly divided into three groups: control, hypothyroid (hypo-T) and hyperthyroid (hyper-T). The results showed the body weights decreased significantly in both the hypo-T and hyper-T groups and that uterine weights were decreased significantly in the hypo-T group. The serum concentrations of total triiodothyronine (T3) and thyroxine (T4), as well as estradiol (E2), were significantly decreased in the hypo-T group, but increased in the hyper-T group. The progesterone (P4) concentrations in the hypo- and hyperthyroid rats markedly decreased. Immunohistochemistry results provided evidence that thyroid hormone nuclear receptor α/β (TRα/β) and three NOS isoforms were located in different cell types of rat uteri. The NO content and total NOS and inducible NOS (iNOS) activities were markedly diminished in the hypo-T group but increased in the hyper-T group. Moreover, the activities of both glutathione peroxidase (GSH-Px) and catalase (CAT) exhibited significant decreases and increases in the hypo-T and hyper-T groups, respectively. The malondialdehyde (MDA) contents in both the hypo-T and hyper-T groups showed a significant increase. Total superoxide dismutase (T-SOD) activity in the hypo- and hyper-T rats markedly decreased. In conclusion, these results indicated that thyroid hormones have an important influence on the modulation of uterine antioxidative status. PMID:25797533
Narooei, K; Arman, M
2018-03-01
In this research, the exponential stretched based hyperelastic strain energy was generalized to the hyper-viscoelastic model using the heredity integral of deformation history to take into account the strain rate effects on the mechanical behavior of materials. The heredity integral was approximated by the approach of Goh et al. to determine the model parameters and the same estimation was used for constitutive modeling. To present the ability of the proposed hyper-viscoelastic model, the stress-strain response of the thermoplastic elastomer gel tissue at different strain rates from 0.001 to 100/s was studied. In addition to better agreement between the current model and experimental data in comparison to the extended Mooney-Rivlin hyper-viscoelastic model, a stable material behavior was predicted for pure shear and balance biaxial deformation modes. To present the engineering application of current model, the Kolsky bars impact test of gel tissue was simulated and the effects of specimen size and inertia on the uniform deformation were investigated. As the mechanical response of polyurea was provided over wide strain rates of 0.0016-6500/s, the current model was applied to fit the experimental data. The results were shown more accuracy could be expected from the current research than the extended Ogden hyper-viscoelastic model. In the final verification example, the pig skin experimental data was used to determine parameters of the hyper-viscoelastic model. Subsequently, a specimen of pig skin at different strain rates was loaded to a fixed strain and the change of stress with time (stress relaxation) was obtained. The stress relaxation results were revealed the peak stress increases by applied strain rate until the saturated loading rate and the equilibrium stress with magnitude of 0.281MPa could be reached. Copyright © 2017 Elsevier Ltd. All rights reserved.
Minimum maximum temperature gradient coil design.
While, Peter T; Poole, Michael S; Forbes, Larry K; Crozier, Stuart
2013-08-01
Ohmic heating is a serious problem in gradient coil operation. A method is presented for redesigning cylindrical gradient coils to operate at minimum peak temperature, while maintaining field homogeneity and coil performance. To generate these minimaxT coil windings, an existing analytic method for simulating the spatial temperature distribution of single layer gradient coils is combined with a minimax optimization routine based on sequential quadratic programming. Simulations are provided for symmetric and asymmetric gradient coils that show considerable improvements in reducing maximum temperature over existing methods. The winding patterns of the minimaxT coils were found to be heavily dependent on the assumed thermal material properties and generally display an interesting "fish-eye" spreading of windings in the dense regions of the coil. Small prototype coils were constructed and tested for experimental validation and these demonstrate that with a reasonable estimate of material properties, thermal performance can be improved considerably with negligible change to the field error or standard figures of merit. © 2012 Wiley Periodicals, Inc.
Cosmological Parameters and Hyper-Parameters: The Hubble Constant from Boomerang and Maxima
NASA Astrophysics Data System (ADS)
Lahav, Ofer
Recently several studies have jointly analysed data from different cosmological probes with the motivation of estimating cosmological parameters. Here we generalise this procedure to allow freedom in the relative weights of various probes. This is done by including in the joint likelihood function a set of `Hyper-Parameters', which are dealt with using Bayesian considerations. The resulting algorithm, which assumes uniform priors on the log of the Hyper-Parameters, is very simple to implement. We illustrate the method by estimating the Hubble constant H0 from different sets of recent CMB experiments (including Saskatoon, Python V, MSAM1, TOCO, Boomerang and Maxima). The approach can be generalised for a combination of cosmic probes, and for other priors on the Hyper-Parameters. Reference: Lahav, Bridle, Hobson, Lasenby & Sodre, 2000, MNRAS, in press (astro-ph/9912105)
Sayem, Ayed Al; Rahman, Md. Masudur; Mahdy, M. R. C.; Jahangir, Ifat; Rahman, Md. Saifur
2016-01-01
In this article, we have theoretically investigated the performance of graphene-hexagonal Boron Nitride (hBN) multilayer structure (hyper crystal) to demonstrate all angle negative refraction along with superior transmission. hBN, one of the latest natural hyperbolic materials, can be a very strong contender to form a hyper crystal with graphene due to its excellence as a graphene-compatible substrate. Although bare hBN can exhibit negative refraction, the transmission is generally low due to its high reflectivity. Whereas due to graphene’s 2D nature and metallic characteristics in the frequency range where hBN behaves as a type-I hyperbolic material, we have found graphene-hBN hyper-crystals to exhibit all angle negative refraction with superior transmission. Interestingly, superior transmission from the whole structure can be fully controlled by the tunability of graphene without hampering the negative refraction originated mainly from hBN. We have also presented an effective medium description of the hyper crystal in the low-k limit and validated the proposed theory analytically and with full wave simulations. Along with the current extensive research on hybridization of graphene plasmon polaritons with (hyperbolic) hBN phonon polaritons, this work might have some substantial impact on this field of research and can be very useful in applications such as hyper-lensing. PMID:27146561
Critical assessment of density functional theory for computing vibrational (hyper)polarizabilities
NASA Astrophysics Data System (ADS)
Zaleśny, R.; Bulik, I. W.; Mikołajczyk, M.; Bartkowiak, W.; Luis, J. M.; Kirtman, B.; Avramopoulos, A.; Papadopoulos, M. G.
2012-12-01
Despite undisputed success of the density functional theory (DFT) in various branches of chemistry and physics, an application of the DFT for reliable predictions of nonlinear optical properties of molecules has been questioned a decade ago. As it was shown by Champagne, et al. [1, 2, 3] most conventional DFT schemes were unable to qualitatively predict the response of conjugated oligomers to a static electric field. Long-range corrected (LRC) functionals, like LC-BLYP or CAM-B3LYP, have been proposed to alleviate this deficiency. The reliability of LRC functionals for evaluating molecular (hyper)polarizabilities is studied for various groups of organic systems, with a special focus on vibrational corrections to the electric properties.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Buda, I. G.; Lane, C.; Barbiellini, B.
We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of ’beyond graphene’ compounds, including films of transition-metal dichalcogenides (TMDs), using the recently proposed strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) to the density functional theory. The SCAN meta-GGA results are compared with those based on the local density approximation (LDA) as well as the generalized gradient approximation (GGA). As expected, the GGA yields expanded lattices and softened bonds in relation to the LDA, but the SCAN meta-GGA systematically improves the agreement with experiment. Our study suggests the efficacy of the SCAN functionalmore » for accurate modeling of electronic structures of layered materials in high-throughput calculations more generally.« less
Buda, I. G.; Lane, C.; Barbiellini, B.; ...
2017-03-23
We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of ’beyond graphene’ compounds, including films of transition-metal dichalcogenides (TMDs), using the recently proposed strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) to the density functional theory. The SCAN meta-GGA results are compared with those based on the local density approximation (LDA) as well as the generalized gradient approximation (GGA). As expected, the GGA yields expanded lattices and softened bonds in relation to the LDA, but the SCAN meta-GGA systematically improves the agreement with experiment. Our study suggests the efficacy of the SCAN functionalmore » for accurate modeling of electronic structures of layered materials in high-throughput calculations more generally.« less
Global hybrids from the semiclassical atom theory satisfying the local density linear response.
Fabiano, Eduardo; Constantin, Lucian A; Cortona, Pietro; Della Sala, Fabio
2015-01-13
We propose global hybrid approximations of the exchange-correlation (XC) energy functional which reproduce well the modified fourth-order gradient expansion of the exchange energy in the semiclassical limit of many-electron neutral atoms and recover the full local density approximation (LDA) linear response. These XC functionals represent the hybrid versions of the APBE functional [Phys. Rev. Lett. 2011, 106, 186406] yet employing an additional correlation functional which uses the localization concept of the correlation energy density to improve the compatibility with the Hartree-Fock exchange as well as the coupling-constant-resolved XC potential energy. Broad energetic and structural testing, including thermochemistry and geometry, transition metal complexes, noncovalent interactions, gold clusters and small gold-molecule interfaces, as well as an analysis of the hybrid parameters, show that our construction is quite robust. In particular, our testing shows that the resulting hybrid, including 20% of Hartree-Fock exchange and named hAPBE, performs remarkably well for a broad palette of systems and properties, being generally better than popular hybrids (PBE0 and B3LYP). Semiempirical dispersion corrections are also provided.
Programmable logic construction kits for hyper-real-time neuronal modeling.
Guerrero-Rivera, Ruben; Morrison, Abigail; Diesmann, Markus; Pearce, Tim C
2006-11-01
Programmable logic designs are presented that achieve exact integration of leaky integrate-and-fire soma and dynamical synapse neuronal models and incorporate spike-time dependent plasticity and axonal delays. Highly accurate numerical performance has been achieved by modifying simpler forward-Euler-based circuitry requiring minimal circuit allocation, which, as we show, behaves equivalently to exact integration. These designs have been implemented and simulated at the behavioral and physical device levels, demonstrating close agreement with both numerical and analytical results. By exploiting finely grained parallelism and single clock cycle numerical iteration, these designs achieve simulation speeds at least five orders of magnitude faster than the nervous system, termed here hyper-real-time operation, when deployed on commercially available field-programmable gate array (FPGA) devices. Taken together, our designs form a programmable logic construction kit of commonly used neuronal model elements that supports the building of large and complex architectures of spiking neuron networks for real-time neuromorphic implementation, neurophysiological interfacing, or efficient parameter space investigations.
Dargél, A A; Roussel, F; Volant, S; Etain, B; Grant, R; Azorin, J-M; M'Bailara, K; Bellivier, F; Bougerol, T; Kahn, J-P; Roux, P; Aubin, V; Courtet, P; Leboyer, M; Kapczinski, F; Henry, C
2018-05-15
Remitted bipolar disorder (BD) patients frequently present with chronic mood instability and emotional hyper-reactivity, associated with poor psychosocial functioning and low-grade inflammation. We investigated emotional hyper-reactivity as a dimension for characterization of remitted BD patients, and clinical and biological factors for identifying those with and without emotional hyper-reactivity. A total of 635 adult remitted BD patients, evaluated in the French Network of Bipolar Expert Centers from 2010-2015, were assessed for emotional reactivity using the Multidimensional Assessment of Thymic States. Machine learning algorithms were used on clinical and biological variables to enhance characterization of patients. After adjustment, patients with emotional hyper-reactivity (n = 306) had significantly higher levels of systolic and diastolic blood pressure (P < 1.0 × 10 -8 ), high-sensitivity C-reactive protein (P < 1.0 × 10 -8 ), fasting glucose (P < 2.23 × 10 -6 ), glycated hemoglobin (P = 0.0008) and suicide attempts (P = 1.4 × 10 -8 ). Using models of combined clinical and biological factors for distinguishing BD patients with and without emotional hyper-reactivity, the strongest predictors were: systolic and diastolic blood pressure, fasting glucose, C-reactive protein and number of suicide attempts. This predictive model identified patients with emotional hyper-reactivity with 84.9% accuracy. The assessment of emotional hyper-reactivity in remitted BD patients is clinically relevant, particularly for identifying those at higher risk of cardiometabolic dysfunction, chronic inflammation, and suicide. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.
Liu, Bingyi; Zhao, Wenyu; Jiang, Yongyuan
2016-01-01
As the two dimensional version of the functional wavefront manipulation metamaterial, metasurface has become a research hot spot for engineering the wavefront at will with a subwavelength thickness. The wave scattered by the gradient metasurface, which is composed by the periodic supercells, is governed by the generalized Snell’s law. However, the critical angle that derived from the generalized Snell’s law circles the domain of the incident angles that allow the occurrence of the anomalous reflection and refraction, and no free space scattering waves could exist when the incident angle is beyond the critical angle. Here we theoretically demonstrate that apparent negative reflection can be realized by a gradient acoustic metasurface when the incident angle is beyond the critical angle. The underlying mechanism of the apparent negative reflection is understood as the higher order diffraction arising from the interaction between the local phase modulation and the non-local effects introduced by the supercell periodicity. The apparent negative reflection phenomena has been perfectly verified by the calculated scattered acoustic waves of the reflected gradient acoustic metasurface. This work may provide new freedom in designing functional acoustic signal modulation devices, such as acoustic isolator and acoustic illusion device. PMID:27917909
NASA Astrophysics Data System (ADS)
Champagne, Benoı̂t; Botek, Edith; Nakano, Masayoshi; Nitta, Tomoshige; Yamaguchi, Kizashi
2005-03-01
The basis set and electron correlation effects on the static polarizability (α) and second hyperpolarizability (γ) are investigated ab initio for two model open-shell π-conjugated systems, the C5H7 radical and the C6H8 radical cation in their doublet state. Basis set investigations evidence that the linear and nonlinear responses of the radical cation necessitate the use of a less extended basis set than its neutral analog. Indeed, double-zeta-type basis sets supplemented by a set of d polarization functions but no diffuse functions already provide accurate (hyper)polarizabilities for C6H8 whereas diffuse functions are compulsory for C5H7, in particular, p diffuse functions. In addition to the 6-31G*+pd basis set, basis sets resulting from removing not necessary diffuse functions from the augmented correlation consistent polarized valence double zeta basis set have been shown to provide (hyper)polarizability values of similar quality as more extended basis sets such as augmented correlation consistent polarized valence triple zeta and doubly augmented correlation consistent polarized valence double zeta. Using the selected atomic basis sets, the (hyper)polarizabilities of these two model compounds are calculated at different levels of approximation in order to assess the impact of including electron correlation. As a function of the method of calculation antiparallel and parallel variations have been demonstrated for α and γ of the two model compounds, respectively. For the polarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset methods bracket the reference value obtained at the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples level whereas the projected unrestricted second-order Møller-Plesset results are in much closer agreement with the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples values than the projected unrestricted Hartree-Fock results. Moreover, the differences between the restricted open-shell Hartree-Fock and restricted open-shell second-order Møller-Plesset methods are small. In what concerns the second hyperpolarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset values remain of similar quality while using spin-projected schemes fails for the charged system but performs nicely for the neutral one. The restricted open-shell schemes, and especially the restricted open-shell second-order Møller-Plesset method, provide for both compounds γ values close to the results obtained at the unrestricted coupled cluster level including singles and doubles with a perturbative inclusion of the triples. Thus, to obtain well-converged α and γ values at low-order electron correlation levels, the removal of spin contamination is a necessary but not a sufficient condition. Density-functional theory calculations of α and γ have also been carried out using several exchange-correlation functionals. Those employing hybrid exchange-correlation functionals have been shown to reproduce fairly well the reference coupled cluster polarizability and second hyperpolarizability values. In addition, inclusion of Hartree-Fock exchange is of major importance for determining accurate polarizability whereas for the second hyperpolarizability the gradient corrections are large.
A general multiscale framework for the emergent effective elastodynamics of metamaterials
NASA Astrophysics Data System (ADS)
Sridhar, A.; Kouznetsova, V. G.; Geers, M. G. D.
2018-02-01
This paper presents a general multiscale framework towards the computation of the emergent effective elastodynamics of heterogeneous materials, to be applied for the analysis of acoustic metamaterials and phononic crystals. The generality of the framework is exemplified by two key characteristics. First, the underlying formalism relies on the Floquet-Bloch theorem to derive a robust definition of scales and scale separation. Second, unlike most homogenization approaches that rely on a classical volume average, a generalized homogenization operator is defined with respect to a family of particular projection functions. This yields a generalized macro-scale continuum, instead of the classical Cauchy continuum. This enables (in a micromorphic sense) to homogenize the rich dispersive behavior resulting from both Bragg scattering and local resonance. For an arbitrary unit cell, the homogenization projection functions are constructed using the Floquet-Bloch eigenvectors obtained in the desired frequency regime at select high symmetry points, which effectively resolves the emergent phenomena dominating that regime. Furthermore, a generalized Hill-Mandel condition is proposed that ensures power consistency between the homogenized and full-scale model. A high-order spatio-temporal gradient expansion is used to localize the multiscale problem leading to a series of recursive unit cell problems giving the appropriate micro-mechanical corrections. The developed multiscale method is validated against standard numerical Bloch analysis of the dispersion spectra of example unit cells encompassing multiple high-order branches generated by local resonance and/or Bragg scattering.
Analytical Energy Gradients for Excited-State Coupled-Cluster Methods
NASA Astrophysics Data System (ADS)
Wladyslawski, Mark; Nooijen, Marcel
The equation-of-motion coupled-cluster (EOM-CC) and similarity transformed equation-of-motion coupled-cluster (STEOM-CC) methods have been firmly established as accurate and routinely applicable extensions of single-reference coupled-cluster theory to describe electronically excited states. An overview of these methods is provided, with emphasis on the many-body similarity transform concept that is the key to a rationalization of their accuracy. The main topic of the paper is the derivation of analytical energy gradients for such non-variational electronic structure approaches, with an ultimate focus on obtaining their detailed algebraic working equations. A general theoretical framework using Lagrange's method of undetermined multipliers is presented, and the method is applied to formulate the EOM-CC and STEOM-CC gradients in abstract operator terms, following the previous work in [P.G. Szalay, Int. J. Quantum Chem. 55 (1995) 151] and [S.R. Gwaltney, R.J. Bartlett, M. Nooijen, J. Chem. Phys. 111 (1999) 58]. Moreover, the systematics of the Lagrange multiplier approach is suitable for automation by computer, enabling the derivation of the detailed derivative equations through a standardized and direct procedure. To this end, we have developed the SMART (Symbolic Manipulation and Regrouping of Tensors) package of automated symbolic algebra routines, written in the Mathematica programming language. The SMART toolkit provides the means to expand, differentiate, and simplify equations by manipulation of the detailed algebraic tensor expressions directly. The Lagrangian multiplier formulation establishes a uniform strategy to perform the automated derivation in a standardized manner: A Lagrange multiplier functional is constructed from the explicit algebraic equations that define the energy in the electronic method; the energy functional is then made fully variational with respect to all of its parameters, and the symbolic differentiations directly yield the explicit equations for the wavefunction amplitudes, the Lagrange multipliers, and the analytical gradient via the perturbation-independent generalized Hellmann-Feynman effective density matrix. This systematic automated derivation procedure is applied to obtain the detailed gradient equations for the excitation energy (EE-), double ionization potential (DIP-), and double electron affinity (DEA-) similarity transformed equation-of-motion coupled-cluster singles-and-doubles (STEOM-CCSD) methods. In addition, the derivatives of the closed-shell-reference excitation energy (EE-), ionization potential (IP-), and electron affinity (EA-) equation-of-motion coupled-cluster singles-and-doubles (EOM-CCSD) methods are derived. Furthermore, the perturbative EOM-PT and STEOM-PT gradients are obtained. The algebraic derivative expressions for these dozen methods are all derived here uniformly through the automated Lagrange multiplier process and are expressed compactly in a chain-rule/intermediate-density formulation, which facilitates a unified modular implementation of analytic energy gradients for CCSD/PT-based electronic methods. The working equations for these analytical gradients are presented in full detail, and their factorization and implementation into an efficient computer code are discussed.
Visualization for Hyper-Heuristics: Back-End Processing
DOE Office of Scientific and Technical Information (OSTI.GOV)
Simon, Luke
Modern society is faced with increasingly complex problems, many of which can be formulated as generate-and-test optimization problems. Yet, general-purpose optimization algorithms may sometimes require too much computational time. In these instances, hyperheuristics may be used. Hyper-heuristics automate the design of algorithms to create a custom algorithm for a particular scenario, finding the solution significantly faster than its predecessor. However, it may be difficult to understand exactly how a design was derived and why it should be trusted. This project aims to address these issues by creating an easy-to-use graphical user interface (GUI) for hyper-heuristics and an easy-to-understand scientific visualizationmore » for the produced solutions. To support the development of this GUI, my portion of the research involved developing algorithms that would allow for parsing of the data produced by the hyper-heuristics. This data would then be sent to the front-end, where it would be displayed to the end user.« less
HITEMP Material and Structural Optimization Technology Transfer
NASA Technical Reports Server (NTRS)
Collier, Craig S.; Arnold, Steve (Technical Monitor)
2001-01-01
The feasibility of adding viscoelasticity and the Generalized Method of Cells (GMC) for micromechanical viscoelastic behavior into the commercial HyperSizer structural analysis and optimization code was investigated. The viscoelasticity methodology was developed in four steps. First, a simplified algorithm was devised to test the iterative time stepping method for simple one-dimensional multiple ply structures. Second, GMC code was made into a callable subroutine and incorporated into the one-dimensional code to test the accuracy and usability of the code. Third, the viscoelastic time-stepping and iterative scheme was incorporated into HyperSizer for homogeneous, isotropic viscoelastic materials. Finally, the GMC was included in a version of HyperSizer. MS Windows executable files implementing each of these steps is delivered with this report, as well as source code. The findings of this research are that both viscoelasticity and GMC are feasible and valuable additions to HyperSizer and that the door is open for more advanced nonlinear capability, such as viscoplasticity.
Stripe nonuniformity correction for infrared imaging system based on single image optimization
NASA Astrophysics Data System (ADS)
Hua, Weiping; Zhao, Jufeng; Cui, Guangmang; Gong, Xiaoli; Ge, Peng; Zhang, Jiang; Xu, Zhihai
2018-06-01
Infrared imaging is often disturbed by stripe nonuniformity noise. Scene-based correction method can effectively reduce the impact of stripe noise. In this paper, a stripe nonuniformity correction method based on differential constraint is proposed. Firstly, the gray distribution of stripe nonuniformity is analyzed and the penalty function is constructed by the difference of horizontal gradient and vertical gradient. With the weight function, the penalty function is optimized to obtain the corrected image. Comparing with other single-frame approaches, experiments show that the proposed method performs better in both subjective and objective analysis, and does less damage to edge and detail. Meanwhile, the proposed method runs faster. We have also discussed the differences between the proposed idea and multi-frame methods. Our method is finally well applied in hardware system.
Xu, Jinshi; Chai, Yongfu; Wang, Mao; Dang, Han; Guo, Yaoxin; Chen, Yu; Zhang, Chenguang; Li, Ting; Zhang, Lixia; Yue, Ming
2018-01-01
Species respond to changes in their environments. A core goal in ecology is to understand the process of plant community assembly in response to a changing climate. Examining the performance of functional traits and trait-based assembly patterns across species among different growth forms is a useful way to explore the assembly process. In this study, we constructed a habitat severity gradient including several environment factors along a 2300 m wide elevational range at Taibai Mountain, central China. Then we assessed the shift on functional trait values and community assembly patterns along this gradient across species among different growth forms. We found that (1) although habitat-severity values closely covaried with elevation in this study, an examined communities along a habitat severity gradient might reveal community dynamics and species responses under future climate change. (2) the occurrence of trait values along the habitat severity gradient across different growth forms were similar, whereas the assembly pattern of herbaceous species was inconsistent with the community and woody species. (3) the trait-trait relationships of herbaceous species were dissimilar to those of the community and woody species. These results suggest that (1) community would re-assemble along habitat severity gradient through environmental filtering, regardless of any growth forms and that (2) different growth forms' species exhibiting similar trait values' shift but different trait-trait relationship by different trait combinations.
The instrument development status of hyper-spectral imager suite (HISUI)
NASA Astrophysics Data System (ADS)
Itoh, Yoshiyuki; Kawashima, Takahiro; Inada, Hitomi; Tanii, Jun; Iwasaki, Akira
2012-11-01
The hyper-multi spectral mission named HISUI (Hyper-spectral Imager SUIte) is the next Japanese earth observation project. This project is the follow up mission of the Advanced Spaceborne Thermal Emission and reflection Radiometer (ASTER) and Advanced Land Imager (ALDS). HISUI is composed of hyperspectral radiometer with higher spectral resolution and multi-spectral radiometer with higher spatial resolution. The development of functional evaluation model was carried out to confirm the spectral and radiometric performance prior to the flight model manufacture phase. This model contains the VNIR and SWIR spectrograph, the VNIR and SWIR detector assemblies with a mechanical cooler for SWIR, signal processing circuit and on-board calibration source.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bykov, Dmytro; Kristensen, Kasper; Kjærgaard, Thomas
We report an implementation of the molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory (DEC-RI-MP2). The new DEC-RI-MP2 gradient method combines the precision control as well as the linear-scaling and massively parallel features of the DEC scheme with efficient evaluations of the gradient contributions using the RI approximation. We further demonstrate that the DEC-RI-MP2 gradient method is capable of calculating molecular gradients for very large molecular systems. A test set of supramolecular complexes containing up to 158 atoms and 1960 contracted basis functions has been employed to demonstrate the general applicability of the DEC-RI-MP2 methodmore » and to analyze the errors of the DEC approximation. Moreover, the test set contains molecules of complicated electronic structures and is thus deliberately chosen to stress test the DEC-RI-MP2 gradient implementation. Additionally, as a showcase example the full molecular gradient for insulin (787 atoms and 7604 contracted basis functions) has been evaluated.« less
Design of a novel Hyper-spectral riflescope system
NASA Astrophysics Data System (ADS)
Huang, YunHan; Fu, YueGang
2016-10-01
Hyper-spectral imaging involves many research areas, such as optics, spectroscopy, mechanical, microelectronics, and computers, etc. Hyper-spectral imaging system has an irreplaceable role in the detection field. At present, due to the improvement of camouflage technology, characteristic of target in battlefield becomes more complex and the targets became more and more difficult to be detected, According to this phenomenon the author designed a novel hyper-spectral riflescope optical system. In general, the riflescope optical system is composed of two parts front object lens and zoom relay system. Firstly, dispersion characteristics of the typical optical glasses varies during band 400nm 1 000nm, the author derived apochromatic theory that suitable to the front system and relay system without using special glass, and make a example to testify its correctness. In general, the zoom mode of relay system lens is different from the objective lens system, so we should take consideration of them separately. Secondly, based on the above theory, the articles designed a hyper-spectral riflescope system, which has a continuous zoom curve, zoom ratio is 4 times and the F number of the system is 4.8;Full field of view varies during 1.8° 7.2°.Structure of the system is relatively compact, and has not used special glass, eventually the article give the schematic of system MTF and zoom curves of relay movable parts. the curve is smooth and can be applied to practical engineering. The author adopt ZEMAX design software to analyses the results .Design result shows that, in the visible and near-infrared wavelengths, the MTF of imaging system at 60lp / mm during all bands are greater than 0.3, which prove the correctness of the design theory and good performance of system.
Lopez, Marcos G; Pretorius, Mias; Shotwell, Matthew S; Deegan, Robert; Eagle, Susan S; Bennett, Jeremy M; Sileshi, Bantayehu; Liang, Yafen; Gelfand, Brian J; Kingeter, Adam J; Siegrist, Kara K; Lombard, Frederick W; Richburg, Tiffany M; Fornero, Dane A; Shaw, Andrew D; Hernandez, Antonio; Billings, Frederic T
2017-06-26
Anesthesiologists administer excess supplemental oxygen (hyper-oxygenation) to patients during surgery to avoid hypoxia. Hyper-oxygenation, however, may increase the generation of reactive oxygen species and cause oxidative damage. In cardiac surgery, increased oxidative damage has been associated with postoperative kidney and brain injury. We hypothesize that maintenance of normoxia during cardiac surgery (physiologic oxygenation) decreases kidney injury and oxidative damage compared to hyper-oxygenation. The Risk of Oxygen during Cardiac Surgery (ROCS) trial will randomly assign 200 cardiac surgery patients to receive physiologic oxygenation, defined as the lowest fraction of inspired oxygen (FIO 2 ) necessary to maintain an arterial hemoglobin saturation of 95 to 97%, or hyper-oxygenation (FIO 2 = 1.0) during surgery. The primary clinical endpoint is serum creatinine change from baseline to postoperative day 2, and the primary mechanism endpoint is change in plasma concentrations of F 2 -isoprostanes and isofurans. Secondary endpoints include superoxide production, clinical delirium, myocardial injury, and length of stay. An endothelial function substudy will examine the effects of oxygen treatment and oxidative stress on endothelial function, measured using flow mediated dilation, peripheral arterial tonometry, and wire tension myography of epicardial fat arterioles. The ROCS trial will test the hypothesis that intraoperative physiologic oxygenation decreases oxidative damage and organ injury compared to hyper-oxygenation in patients undergoing cardiac surgery. ClinicalTrials.gov, ID: NCT02361944 . Registered on the 30th of January 2015.
Development of an Artificial Gravity Sleeper (AGS)
NASA Technical Reports Server (NTRS)
Cardus, David; Mctaggart, Wesley G.; Diamandis, Peter; Campbell, Scott
1990-01-01
The design and construction of a 2-meter radius 'human compatible' centrifuge termed the Artificial Gravity Sleeper (AGS) is considered. The centrifuge will accommodate up to four subjects at a time, operate at a broad range of speeds, and have safety features. Experiments that will be conducted on the AGS will help to investigate the quality of sleep during 100 percent gradient centrifugation. A microgravity simulation also will be studied using bed rest to assess the ability of 100 percent gradient centrifugation to function as a countermeasure to cardiovascular deconditioning.
NASA Astrophysics Data System (ADS)
Grayson, M.; Zhou, Wang; Yoo, Heun-Mo; Prabhu-Gaunkar, S.; Tiemann, L.; Reichl, C.; Wegscheider, W.
A longitudinal magnetoresistance asymmetry (LMA) between a positive and negative magnetic field is known to occur in both the extreme quantum limit and the classical Drude limit in samples with a nonuniform doping density. By analyzing the current stream function in van der Pauw measurement geometry, it is shown that the electron density gradient can be quantitatively deduced from this LMA in the Drude regime. Results agree with gradients interpolated from local densities calibrated across an entire wafer, establishing a generalization of the van der Pauw method to quantify density gradients. Results will be shown of various semoconductor systems where this method is applied, from bulk doped semiconductors, to exfoliated 2D materials. McCormick Catalyst Award from Northwestern University, EECS Bridge Funding, and AFOSR FA9550-15-1-0247.
1980-05-16
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NASA Astrophysics Data System (ADS)
Usenik, Peter; Bürmen, Miran; Vrtovec, Tomaž; Fidler, Aleš; Pernuš, Franjo; Likar, Boštjan
2011-03-01
Despite major improvements in dental healthcare and technology, dental caries remains one of the most prevalent chronic diseases of modern society. The initial stages of dental caries are characterized by demineralization of enamel crystals, commonly known as white spots which are difficult to diagnose. If detected early enough, such demineralization can be arrested and reversed by non-surgical means through well established dental treatments (fluoride therapy, anti-bacterial therapy, low intensity laser irradiation). Near-infrared (NIR) hyper-spectral imaging is a new promising technique for early detection of demineralization based on distinct spectral features of healthy and pathological dental tissues. In this study, we apply NIR hyper-spectral imaging to classify and visualize healthy and pathological dental tissues including enamel, dentin, calculus, dentin caries, enamel caries and demineralized areas. For this purpose, a standardized teeth database was constructed consisting of 12 extracted human teeth with different degrees of natural dental lesions imaged by NIR hyper-spectral system, X-ray and digital color camera. The color and X-ray images of teeth were presented to a clinical expert for localization and classification of the dental tissues, thereby obtaining the gold standard. Principal component analysis was used for multivariate local modeling of healthy and pathological dental tissues. Finally, the dental tissues were classified by employing multiple discriminant analysis. High agreement was observed between the resulting classification and the gold standard with the classification sensitivity and specificity exceeding 85 % and 97 %, respectively. This study demonstrates that NIR hyper-spectral imaging has considerable diagnostic potential for imaging hard dental tissues.
Probing the molecular design of hyper-branched aryl polyesters towards lubricant applications
Robinson, Joshua W.; Zhou, Yan; Bhattacharya, Priyanka; Erck, Robert; Qu, Jun; Bays, J. Timothy; Cosimbescu, Lelia
2016-01-01
We report novel polymeric materials that may be used as viscosity index improvers (VII) for lubricant applications. Our efforts included probing the comb-burst hyper-branched aryl polyester architecture for beneficial viscosity and friction behavior when utilized as an additive in a group I oil. The monomer was designed as to undergo polymerization via polycondensation within the architectural construct (AB2), typical of hyperbranched polymers. The monomer design was comprised of aliphatic arms (12 or 16 methylenes) to provide the necessary lipophilicity to achieve solubility in a non-polar medium. Once polymerized, via catalyst and heat, the surface alcohols were functionalized with fatty acids (lauric and palmitic). Controlling the aliphatic nature of the internal arms and peripheral end-groups provided four unique flexible polymer designs. Changing the reaction time and concentration provided opportunities to investigate the influence of molecular weight and branching density on oil-solubility, viscosity, and friction. Oil-solubility was found to decrease with fewer internal carbons, but the number of internal carbons appears to have little influence on the bulk solution viscosity. At concentrations of 2 wt % in a group I base oil, these polymer additives demonstrated an improved viscosity index and reduced friction coefficient, validating the basic approach. PMID:26727881
Probing the molecular design of hyper-branched aryl polyesters towards lubricant applications
DOE Office of Scientific and Technical Information (OSTI.GOV)
Robinson, Joshua W.; Zhou, Yan; Bhattacharya, Priyanka
We report novel polymeric materials that may be used as viscosity index improvers (VII) for lubricant applications. Our efforts included probing the comb-burst hyper-branched aryl polyester architecture for beneficial viscosity and friction behavior when utilized as an additive in a group I oil. The monomer was designed as to undergo polymerization via polycondensation within the architectural construct (AB2), typical of hyperbranched polymers. The monomer design was comprised of aliphatic arms (12 or 16 methylenes) to provide the necessary lipophilicity to achieve solubility in a non-polar medium. Once polymerized, via catalyst and heat, the surface alcohols were functionalized with fatty acidsmore » (lauric and palmitic). Controlling the aliphatic nature of the internal arms and peripheral end-groups provided four unique flexible polymer designs. Changing the reaction time and concentration provided opportunities to investigate the influence of molecular weight and branching density on oil-solubility, viscosity, and friction. Oil-solubility was found to decrease with fewer internal carbons, but the number of internal carbons appears to have little influence on the bulk solution viscosity. At concentrations of 2 wt % in a group I base oil, these polymer additives demonstrated an improved viscosity index and reduced friction coefficient, validating the basic approach.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Won, Yoo Jai; Ki, Hyungson
A novel picosecond-laser pulsed laser deposition method has been developed for fabricating functionally graded films with pre-designed gradient profiles. Theoretically, the developed method is capable of precisely fabricating films with any thicknesses and any gradient profiles by controlling the laser beam powers for the two different targets based on the film composition profiles. As an implementation example, we have successfully constructed functionally graded diamond-like carbon films with six different gradient profiles: linear, quadratic, cubic, square root, cubic root, and sinusoidal. Energy dispersive X-ray spectroscopy is employed for investigating the chemical composition along the thickness of the film, and the depositionmore » profile and thickness errors are found to be less than 3% and 1.04%, respectively. To the best of the authors' knowledge, this is the first method for fabricating films with designed gradient profiles and has huge potential in many areas of coatings and films, including multifunctional optical films. We believe that this method is not only limited to the example considered in this study, but also can be applied to all material combinations as long as they can be deposited using the pulsed laser deposition technique.« less
NASA Astrophysics Data System (ADS)
Tustison, Nicholas J.; Contrella, Benjamin; Altes, Talissa A.; Avants, Brian B.; de Lange, Eduard E.; Mugler, John P.
2013-03-01
The utitlity of pulmonary functional imaging techniques, such as hyperpolarized 3He MRI, has encouraged their inclusion in research studies for longitudinal assessment of disease progression and the study of treatment effects. We present methodology for performing voxelwise statistical analysis of ventilation maps derived from hyper polarized 3He MRI which incorporates multivariate template construction using simultaneous acquisition of IH and 3He images. Additional processing steps include intensity normalization, bias correction, 4-D longitudinal segmentation, and generation of expected ventilation maps prior to voxelwise regression analysis. Analysis is demonstrated on a cohort of eight individuals with diagnosed cystic fibrosis (CF) undergoing treatment imaged five times every two weeks with a prescribed treatment schedule.
Parallel heat transport in integrable and chaotic magnetic fields
DOE Office of Scientific and Technical Information (OSTI.GOV)
Del-Castillo-Negrete, Diego B; Chacon, Luis
2012-01-01
The study of transport in magnetized plasmas is a problem of fundamental interest in controlled fusion, space plasmas, and astrophysics research. Three issues make this problem particularly chal- lenging: (i) The extreme anisotropy between the parallel (i.e., along the magnetic field), , and the perpendicular, , conductivities ( / may exceed 1010 in fusion plasmas); (ii) Magnetic field lines chaos which in general complicates (and may preclude) the construction of magnetic field line coordinates; and (iii) Nonlocal parallel transport in the limit of small collisionality. Motivated by these issues, we present a Lagrangian Green s function method to solve themore » local and non-local parallel transport equation applicable to integrable and chaotic magnetic fields in arbitrary geom- etry. The method avoids by construction the numerical pollution issues of grid-based algorithms. The potential of the approach is demonstrated with nontrivial applications to integrable (magnetic island chain), weakly chaotic (devil s staircase), and fully chaotic magnetic field configurations. For the latter, numerical solutions of the parallel heat transport equation show that the effective radial transport, with local and non-local closures, is non-diffusive, thus casting doubts on the appropriateness of the applicability of quasilinear diffusion descriptions. General conditions for the existence of non-diffusive, multivalued flux-gradient relations in the temperature evolution are derived.« less
LDRD final report on light-powered nanovehicles.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Shelnutt, John Allen; van Swol, Frank B.; Miller, James Edward
2003-11-01
We have investigated the possibility of constructing nanoscale metallic vehicles powered by biological motors or flagella that are activated and powered by visible light. The vehicle's body is to be composed of the surfactant bilayer of a liposome coated with metallic nanoparticles or nanosheets grown together into a porous single crystal. The diameter of the rigid metal vesicles is from about 50 nm to microns. Illumination with visible light activates a photosynthetic system in the bilayer that can generate a pH gradient across the liposomal membrane. The proton gradient can fuel a molecular motor that is incorporated into the membrane.more » Some molecular motors require ATP to fuel active transport. The protein ATP synthase, when embedded in the membrane, will use the pH gradient across the membrane to produce ATP from ADP and inorganic phosphate. The nanoscale vehicle is thus composed of both natural biological components (ATPase, flagellum; actin-myosin, kinesin-microtubules) and biomimetic components (metal vehicle casing, photosynthetic membrane) as functional units. Only light and storable ADP, phosphate, water, and weak electron donor are required fuel components. These nano-vehicles are being constructed by self-assembly and photocatalytic and autocatalytic reactions. The nano-vehicles can potentially respond to chemical gradients and other factors such as light intensity and field gradients, in a manner similar to the way that magnetic bacteria navigate. The delivery package might include decision-making and guidance components, drugs or other biological and chemical agents, explosives, catalytic reactors, and structural materials. We expected in one year to be able only to assess the problems and major issues at each stage of construction of the vehicle and the likely success of fabricating viable nanovehicles with our biomimetic photocatalytic approach. Surprisingly, we have been able to demonstrate that metallized photosynthetic liposomes can indeed be made. We have completed the synthesis of metallized liposomes with photosynthetic function included and studied these structures by electron microscopy. Both platinum and palladium nanosheeting have been used to coat the micelles. The stability of the vehicles to mechanical stress and the solution environment is enhanced by the single-crystalline platinum or palladium coating on the vesicle. With analogous platinized micelles, it is possible to dry the vehicles and re-suspend them with full functionality. However, with the liposomes drying on a TEM grid may cause the platinized liposomes to collapse, although probably stay viable in solution. It remains to be shown whether a proton motive force across the metallized bilayer membrane can be generated and whether we will also be able to incorporate various functional capabilities including ATP synthesis and functional molecular motors. Future tasks to complete the nanovehicles would be the incorporation of ATP synthase into metallized liposomes and the incorporation of a molecular motor into metallized liposomes.« less
Li, Xiangrong; Zhao, Xupei; Duan, Xiabin; Wang, Xiaoliang
2015-01-01
It is generally acknowledged that the conjugate gradient (CG) method achieves global convergence—with at most a linear convergence rate—because CG formulas are generated by linear approximations of the objective functions. The quadratically convergent results are very limited. We introduce a new PRP method in which the restart strategy is also used. Moreover, the method we developed includes not only n-step quadratic convergence but also both the function value information and gradient value information. In this paper, we will show that the new PRP method (with either the Armijo line search or the Wolfe line search) is both linearly and quadratically convergent. The numerical experiments demonstrate that the new PRP algorithm is competitive with the normal CG method. PMID:26381742
Li, Xiangrong; Zhao, Xupei; Duan, Xiabin; Wang, Xiaoliang
2015-01-01
It is generally acknowledged that the conjugate gradient (CG) method achieves global convergence--with at most a linear convergence rate--because CG formulas are generated by linear approximations of the objective functions. The quadratically convergent results are very limited. We introduce a new PRP method in which the restart strategy is also used. Moreover, the method we developed includes not only n-step quadratic convergence but also both the function value information and gradient value information. In this paper, we will show that the new PRP method (with either the Armijo line search or the Wolfe line search) is both linearly and quadratically convergent. The numerical experiments demonstrate that the new PRP algorithm is competitive with the normal CG method.
The RPA Atomization Energy Puzzle.
Ruzsinszky, Adrienn; Perdew, John P; Csonka, Gábor I
2010-01-12
There is current interest in the random phase approximation (RPA), a "fifth-rung" density functional for the exchange-correlation energy. RPA has full exact exchange and constructs the correlation with the help of the unoccupied Kohn-Sham orbitals. In many cases (uniform electron gas, jellium surface, and free atom), the correction to RPA is a short-ranged effect that is captured by a local spin density approximation (LSDA) or a generalized gradient approximation (GGA). Nonempirical density functionals for the correction to RPA were constructed earlier at the LSDA and GGA levels (RPA+), but they are constructed here at the fully nonlocal level (RPA++), using the van der Waals density functional (vdW-DF) of Langreth, Lundqvist, and collaborators. While they make important and helpful corrections to RPA total and ionization energies of free atoms, they correct the RPA atomization energies of molecules by only about 1 kcal/mol. Thus, it is puzzling that RPA atomization energies are, on average, about 10 kcal/mol lower than those of accurate values from experiment. We find here that a hybrid of 50% Perdew-Burke-Ernzerhof GGA with 50% RPA+ yields atomization energies much more accurate than either one does alone. This suggests a solution to the puzzle: While the proper correction to RPA is short-ranged in some systems, its contribution to the correlation hole can spread out in a molecule with multiple atomic centers, canceling part of the spread of the exact exchange hole (more so than in RPA or RPA+), making the true exchange-correlation hole more localized than in RPA or RPA+. This effect is not captured even by the vdW-DF nonlocality, but it requires the different kind of full nonlocality present in a hybrid functional.
Polyhedral Sculpture: The Path from Computational Artifact to Real-World Mathematical Object.
ERIC Educational Resources Information Center
Eisenberg, Michael; Nishioka, Ann
Mathematics educators often despair at math's austere, "abstract" reputation. This paper describes recent work in developing an application named "HyperGami," which is designed to integrate both the abstract and"real-world" aspects of mathematics by allowing children to design and construct polyhedral models and…
Hyper-theory-of-mind in children with Psychotic Experiences.
Clemmensen, Lars; van Os, Jim; Skovgaard, Anne Mette; Væver, Mette; Blijd-Hoogewys, Els M A; Bartels-Velthuis, Agna A; Jeppesen, Pia
2014-01-01
Alterations in Theory-of-Mind (ToM) are associated with psychotic disorder. In addition, studies in children have documented that alterations in ToM are associated with Psychotic Experiences (PE). Our aim was to examine associations between an exaggerated type of ToM (HyperToM) and PE in children. Children with this type of alteration in ToM infer mental states when none are obviously suggested, and predict behaviour on the basis of these erroneous beliefs. Individuals with HyperToM do not appear to have a conceptual deficit (i.e. lack of representational abilities), but rather they apply their theory of the minds of others in an incorrect or biased way. Hypotheses were tested in two studies with two independent samples: (i) a general population sample of 1630 Danish children aged 11-12 years, (ii) a population-based sample of 259 Dutch children aged 12-13 years, pertaining to a case-control sampling frame of children with auditory verbal hallucinations. Multinomial regression analyses were carried out to investigate the associations between PE and ToM and HyperToM respectively. Analyses were adjusted for gender and proxy measures of general intelligence. Low ToM score was significantly associated with PE in sample I (OR = 1.6 95%CI 1.1-2.3 χ2(4) = 12.42 p = 0.010), but not in sample II (OR = 0.9 95%CI 0.5-1.8 χ2(3) = 7.13 p = 0.816). HyperToM was significantly associated with PE both in sample I (OR = 1.8, 95%CI 1.2-2.7 χ2(3) = 10.11 p = 0.006) and II (OR = 4.6, 95%CI 1.3-16.2 χ2(2) = 7.56 p = 0.018). HyperToM was associated particularly with paranoid delusions in both sample I (OR = 2.0, 95%CI: 1.1-3.7% χ2(4) = 9.93 p = 0.021) and II (OR = 6.2 95%CI: 1.7-23.6% χ2(4) = 9.90 p = 0.044). Specific alterations in ToM may be associated with specific types of psychotic experiences. HyperToM may index risk for developing psychosis and paranoid delusions in particular.
Omaki, Akira; Lau, Ellen F.; Davidson White, Imogen; Dakan, Myles L.; Apple, Aaron; Phillips, Colin
2015-01-01
Much work has demonstrated that speakers of verb-final languages are able to construct rich syntactic representations in advance of verb information. This may reflect general architectural properties of the language processor, or it may only reflect a language-specific adaptation to the demands of verb-finality. The present study addresses this issue by examining whether speakers of a verb-medial language (English) wait to consult verb transitivity information before constructing filler-gap dependencies, where internal arguments are fronted and hence precede the verb. This configuration makes it possible to investigate whether the parser actively makes representational commitments on the gap position before verb transitivity information becomes available. A key prediction of the view that rich pre-verbal structure building is a general architectural property is that speakers of verb-medial languages should predictively construct dependencies in advance of verb transitivity information, and therefore that disruption should be observed when the verb has intransitive subcategorization frames that are incompatible with the predicted structure. In three reading experiments (self-paced and eye-tracking) that manipulated verb transitivity, we found evidence for reading disruption when the verb was intransitive, although no such reading difficulty was observed when the critical verb was embedded inside a syntactic island structure, which blocks filler-gap dependency completion. These results are consistent with the hypothesis that in English, as in verb-final languages, information from preverbal noun phrases is sufficient to trigger active dependency completion without having access to verb transitivity information. PMID:25914658
Omaki, Akira; Lau, Ellen F; Davidson White, Imogen; Dakan, Myles L; Apple, Aaron; Phillips, Colin
2015-01-01
Much work has demonstrated that speakers of verb-final languages are able to construct rich syntactic representations in advance of verb information. This may reflect general architectural properties of the language processor, or it may only reflect a language-specific adaptation to the demands of verb-finality. The present study addresses this issue by examining whether speakers of a verb-medial language (English) wait to consult verb transitivity information before constructing filler-gap dependencies, where internal arguments are fronted and hence precede the verb. This configuration makes it possible to investigate whether the parser actively makes representational commitments on the gap position before verb transitivity information becomes available. A key prediction of the view that rich pre-verbal structure building is a general architectural property is that speakers of verb-medial languages should predictively construct dependencies in advance of verb transitivity information, and therefore that disruption should be observed when the verb has intransitive subcategorization frames that are incompatible with the predicted structure. In three reading experiments (self-paced and eye-tracking) that manipulated verb transitivity, we found evidence for reading disruption when the verb was intransitive, although no such reading difficulty was observed when the critical verb was embedded inside a syntactic island structure, which blocks filler-gap dependency completion. These results are consistent with the hypothesis that in English, as in verb-final languages, information from preverbal noun phrases is sufficient to trigger active dependency completion without having access to verb transitivity information.
Traces on orbifolds: anomalies and one-loop amplitudes
NASA Astrophysics Data System (ADS)
Groot Nibbelink, Stefan
2003-07-01
In the recent literature one can find calculations of various one-loop amplitudes, like anomalies, tadpoles and vacuum energies, on specific types of orbifolds, like S1/Bbb Z2. This work aims to give a general description of such one-loop computations for a large class of orbifold models. In order to achieve a high degree of generality, we formulate these calculations as evaluations of traces of operators over orbifold Hilbert spaces. We find that in general the result is expressed as a sum of traces over hyper surfaces with local projections, and the derivatives perpendicular to these hyper surfaces are rescaled. These local projectors naturally takes into account possible non-periodic boundary conditions. As the examples T6/Bbb Z4 and T4/D4 illustrate, the methods can be applied to non-prime as well as non-abelian orbifolds.
NASA Astrophysics Data System (ADS)
Sergeev, A.; Alharbi, F. H.; Jovanovic, R.; Kais, S.
2016-04-01
The gradient expansion of the kinetic energy density functional, when applied to atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the integral by replacing the asymptotic series including the sixth order term in the integrand by a rational function. Padé approximants show moderate improvements in accuracy in comparison with partial sums of the series. The results are discussed for atoms and Hooke’s law model for two-electron atoms.
NASA Astrophysics Data System (ADS)
Nerantzaki, Sofia; Papalexiou, Simon Michael
2017-04-01
Identifying precisely the distribution tail of a geophysical variable is tough, or, even impossible. First, the tail is the part of the distribution for which we have the less empirical information available; second, a universally accepted definition of tail does not and cannot exist; and third, a tail may change over time due to long-term changes. Unfortunately, the tail is the most important part of the distribution as it dictates the estimates of exceedance probabilities or return periods. Fortunately, based on their tail behavior, probability distributions can be generally categorized into two major families, i.e., sub-exponentials (heavy-tailed) and hyper-exponentials (light-tailed). This study aims to update the Mean Excess Function (MEF), providing a useful tool in order to asses which type of tail better describes empirical data. The MEF is based on the mean value of a variable over a threshold and results in a zero slope regression line when applied for the Exponential distribution. Here, we construct slope confidence intervals for the Exponential distribution as functions of sample size. The validation of the method using Monte Carlo techniques on four theoretical distributions covering major tail cases (Pareto type II, Log-normal, Weibull and Gamma) revealed that it performs well especially for large samples. Finally, the method is used to investigate the behavior of daily rainfall extremes; thousands of rainfall records were examined, from all over the world and with sample size over 100 years, revealing that heavy-tailed distributions can describe more accurately rainfall extremes.
Physical and biogeochemical controls on polymictic behavior in Sierra Nevada stream pools
NASA Astrophysics Data System (ADS)
Lucas, R. G.; Conklin, M. H.; Tyler, S. W.; Suarez, F. I.; Moran, J. E.; Esser, B. K.
2011-12-01
We observed polymictic behavior in stream pools in a low gradient montane meadow in the southern Sierra Nevada mountains, California. Thermal stratification in stream pools has been observed in various environments; stratification generally persists where the buoyancy forces created by a variation in water density, as a function of water temperature, are able to overcome turbulent forces resulting from stream flow. Because the density gradient creates a relatively weak buoyancy force, low flow conditions are generally required in order to overcome the turbulent forces. In some studies, a cold water source in to the pool bottoms can help to increase the density gradient and perpetuate thermal stratification. Our study took place in Long Meadow, Sequoia National Park, California. Long Meadow lies in the Wolverton Creek watershed and is part of the Southern Sierra Critical Zone Observatory. The 1-4 m diameter and 1-2 m deep pools in our study stratified thermally during the day and mixed completely at night. The low gradient of the meadow provided low stream flows. Piezometers in the meadow indicated groundwater discharge into the meadow in the months during which stratification was observed. Radon 222 activity measured in the pools also indicated groundwater influx to the pool bottoms. We used Fluent, a computational fluid dynamics equation solver, to construct a model of one of the observed pools. Initially we attempted to model the physical mechanisms controlling thermal stratification in the pool including stream flow, groundwater discharge, solar radiation, wind speed, and air, stream and ground water temperatures. Ultimately we found the model best agreed with our observed pool temperatures when we considered the light attenuation coefficients as a function of the dissolve organic carbon (DOC) concentration. Elevated DOC concentrations are expected in low stream flow regimes associated with highly organic soils such as a montane meadow. DOC concentrations measured in samples collected from the meadow stream, pools, and ground water wells ranged from 3.09 to 5.25 mg/L. We used a power equation taken from the literature to vary the visible light attenuation with DOC values measured in the meadow system. Light attenuation coefficients determined from measured DOC concentrations ranged from 0.507 m-1 to 0.899 m-1. The results from our modeling efforts indicate that in low flow streams and rivers elevated concentrations of DOC can increase the potential for thermal stratification in stream pools.
Unusual behavior by Bison, Bison bison, toward Elk, Cervus elaphus, and wolves, Canis lupus
Mech, L.D.; McIntyre, R.T.; Smith, D.W.
2004-01-01
Incidents are described of Bison (Bison bison) in Yellowstone National Park mauling and possibly killing a young Elk (Cervus elaphus) calf, chasing wolves (Canis lupus) off Elk they had just killed or were killing, and keeping the wolves away for extended periods. During one of the latter cases, the Bison knocked a wolf-wounded Elk down. Bison were also seen approaching wolves that were resting and sleeping, rousting them, following them to new resting places and repeating this behavior. These behaviors might represent some type of generalized hyper-defensiveness that functions as an anti-predator strategy.
Unusual behavior by bison, Bison bison, toward elk, Cervus elaphus, and wolves, Canis lupus
Mech, L.D.; McIntyre, R.T.; Smith, D.W.
2004-01-01
Incidents are described of bison (Bison bison) in Yellowstone National Park mauling and possibly killing a young elk (Cervus elaphus) calf, chasing wolves (Canis lupus) off elk they had just killed or were killing, and keeping the wolves away for extended periods. During one of the latter cases, the bison knocked a wolf-wounded elk down. Bison were also seen approaching wolves that were resting and sleeping, rousting them, following them to new resting places and repeating this behavior. These behaviors might represent some type of generalized hyper-defensiveness that functions as an anti-predator strategy.
Bagarinao, Epifanio; Tsuzuki, Erina; Yoshida, Yukina; Ozawa, Yohei; Kuzuya, Maki; Otani, Takashi; Koyama, Shuji; Isoda, Haruo; Watanabe, Hirohisa; Maesawa, Satoshi; Naganawa, Shinji; Sobue, Gen
2018-01-01
The stability of the MRI scanner throughout a given study is critical in minimizing hardware-induced variability in the acquired imaging data set. However, MRI scanners do malfunction at times, which could generate image artifacts and would require the replacement of a major component such as its gradient coil. In this article, we examined the effect of low intensity, randomly occurring hardware-related noise due to a faulty gradient coil on brain morphometric measures derived from T1-weighted images and resting state networks (RSNs) constructed from resting state functional MRI. We also introduced a method to detect and minimize the effect of the noise associated with a faulty gradient coil. Finally, we assessed the reproducibility of these morphometric measures and RSNs before and after gradient coil replacement. Our results showed that gradient coil noise, even at relatively low intensities, could introduce a large number of voxels exhibiting spurious significant connectivity changes in several RSNs. However, censoring the affected volumes during the analysis could minimize, if not completely eliminate, these spurious connectivity changes and could lead to reproducible RSNs even after gradient coil replacement.
Bagarinao, Epifanio; Tsuzuki, Erina; Yoshida, Yukina; Ozawa, Yohei; Kuzuya, Maki; Otani, Takashi; Koyama, Shuji; Isoda, Haruo; Watanabe, Hirohisa; Maesawa, Satoshi; Naganawa, Shinji; Sobue, Gen
2018-01-01
The stability of the MRI scanner throughout a given study is critical in minimizing hardware-induced variability in the acquired imaging data set. However, MRI scanners do malfunction at times, which could generate image artifacts and would require the replacement of a major component such as its gradient coil. In this article, we examined the effect of low intensity, randomly occurring hardware-related noise due to a faulty gradient coil on brain morphometric measures derived from T1-weighted images and resting state networks (RSNs) constructed from resting state functional MRI. We also introduced a method to detect and minimize the effect of the noise associated with a faulty gradient coil. Finally, we assessed the reproducibility of these morphometric measures and RSNs before and after gradient coil replacement. Our results showed that gradient coil noise, even at relatively low intensities, could introduce a large number of voxels exhibiting spurious significant connectivity changes in several RSNs. However, censoring the affected volumes during the analysis could minimize, if not completely eliminate, these spurious connectivity changes and could lead to reproducible RSNs even after gradient coil replacement. PMID:29725294
Modelling non-equilibrium thermodynamic systems from the speed-gradient principle.
Khantuleva, Tatiana A; Shalymov, Dmitry S
2017-03-06
The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed.This article is part of the themed issue 'Horizons of cybernetical physics'. © 2017 The Author(s).
Modelling non-equilibrium thermodynamic systems from the speed-gradient principle
NASA Astrophysics Data System (ADS)
Khantuleva, Tatiana A.; Shalymov, Dmitry S.
2017-03-01
The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed. This article is part of the themed issue 'Horizons of cybernetical physics'.
Modelling non-equilibrium thermodynamic systems from the speed-gradient principle
Khantuleva, Tatiana A.
2017-01-01
The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed. This article is part of the themed issue ‘Horizons of cybernetical physics’. PMID:28115617
A class of fractional differential hemivariational inequalities with application to contact problem
NASA Astrophysics Data System (ADS)
Zeng, Shengda; Liu, Zhenhai; Migorski, Stanislaw
2018-04-01
In this paper, we study a class of generalized differential hemivariational inequalities of parabolic type involving the time fractional order derivative operator in Banach spaces. We use the Rothe method combined with surjectivity of multivalued pseudomonotone operators and properties of the Clarke generalized gradient to establish existence of solution to the abstract inequality. As an illustrative application, a frictional quasistatic contact problem for viscoelastic materials with adhesion is investigated, in which the friction and contact conditions are described by the Clarke generalized gradient of nonconvex and nonsmooth functionals, and the constitutive relation is modeled by the fractional Kelvin-Voigt law.
Ackerly, D D; Cornwell, W K
2007-02-01
Plant functional traits vary both along environmental gradients and among species occupying similar conditions, creating a challenge for the synthesis of functional and community ecology. We present a trait-based approach that provides an additive decomposition of species' trait values into alpha and beta components: beta values refer to a species' position along a gradient defined by community-level mean trait values; alpha values are the difference between a species' trait values and the mean of co-occurring taxa. In woody plant communities of coastal California, beta trait values for specific leaf area, leaf size, wood density and maximum height all covary strongly, reflecting species distributions across a gradient of soil moisture availability. Alpha values, on the other hand, are generally not significantly correlated, suggesting several independent axes of differentiation within communities. This trait-based framework provides a novel approach to integrate functional ecology and gradient analysis with community ecology and coexistence theory.
Global Existence Results for Viscoplasticity at Finite Strain
NASA Astrophysics Data System (ADS)
Mielke, Alexander; Rossi, Riccarda; Savaré, Giuseppe
2018-01-01
We study a model for rate-dependent gradient plasticity at finite strain based on the multiplicative decomposition of the strain tensor, and investigate the existence of global-in-time solutions to the related PDE system. We reveal its underlying structure as a generalized gradient system, where the driving energy functional is highly nonconvex and features the geometric nonlinearities related to finite-strain elasticity as well as the multiplicative decomposition of finite-strain plasticity. Moreover, the dissipation potential depends on the left-invariant plastic rate, and thus depends on the plastic state variable. The existence theory is developed for a class of abstract, nonsmooth, and nonconvex gradient systems, for which we introduce suitable notions of solutions, namely energy-dissipation-balance and energy-dissipation-inequality solutions. Hence, we resort to the toolbox of the direct method of the calculus of variations to check that the specific energy and dissipation functionals for our viscoplastic models comply with the conditions of the general theory.
NASA Astrophysics Data System (ADS)
García-Aldea, David; Alvarellos, J. E.
2009-03-01
We present several nonlocal exchange energy density functionals that reproduce the linear response function of the free electron gas. These nonlocal functionals are constructed following a similar procedure used previously for nonlocal kinetic energy density functionals by Chac'on-Alvarellos-Tarazona, Garc'ia-Gonz'alez et al., Wang-Govind-Carter and Garc'ia-Aldea-Alvarellos. The exchange response function is not known but we have used the approximate response function developed by Utsumi and Ichimaru, even we must remark that the same ansatz can be used to reproduce any other response function with the same scaling properties. We have developed two families of new nonlocal functionals: one is constructed with a mathematical structure based on the LDA approximation -- the Dirac functional for the exchange - and for the second one the structure of the second order gradient expansion approximation is took as a model. The functionals are constructed is such a way that they can be used in localized systems (using real space calculations) and in extended systems (using the momentum space, and achieving a quasilinear scaling with the system size if a constant reference electron density is defined).
NASA Astrophysics Data System (ADS)
Freud, Sven; Plaga, Rainer; Breithaupt, Ralph
2016-06-01
The hyper-chaotic strange attractor of systems of four Chua’s circuits that are mutually coupled by three strong and three weak couplings is studied, both experimentally and via simulation. A new metric to compare strange attractors is presented. It is found that the strength of the couplings between circuits have a complex and determining influence on the probability for the presence of a trajectory within their attractors. This influence is strictly local, i.e. the probability of the presence of the trajectories is determined by the coupling strength to the directly adjacent circuits and independent of the coupling strengths among other circuits. Fluctuations in the properties of Chua’s circuits due to random fluctuations during the production of its components have a significant influence on the probability of presence of the attractor’s trajectories that could be qualitatively, but not quantitatively, modeled by our simulation. The consequences of these results for the possibility to construct “physical unclonable functions” as networks of Chua’s circuits with a hyper-chaotic dynamics are discussed.
Wind-Tunnel Results of the B-52B with the X-43A Stack
NASA Technical Reports Server (NTRS)
Davis, Mark C.; Sim, Alexander G.; Rhode, Matthew; Johnson, Kevin D., Sr.
2007-01-01
A low-speed wind-tunnel test was performed with a 3%-scale model of a booster rocket mated to an X-43A research vehicle, a combination referred to as the Hyper-X launch vehicle. The test was conducted both in freestream air and in the presence of a partial model of the B-52B airplane. The objectives of the test were to obtain force and moment data to generate structural loads affecting the pylon of the B-52B airplane and to determine the aerodynamic influence of the B-52B on the Hyper-X launch vehicle for evaluating launch separation characteristics. The windtunnel test was conducted at a low-speed wind tunnel in Hampton, Virginia. All moments and forces reported are based either on the aerodynamic influence of the B-52B airplane or are for the Hyper-X launch vehicle in freestream air. Overall, the test showed that the B-52B airplane imparts a strong downwash onto the Hyper-X launch vehicle, reducing the net lift of the Hyper-X launch vehicle. Pitching and rolling moments are also imparted onto the booster and are a strong function of the launch-drop angle of attack.
SO(4) algebraic approach to the three-body bound state problem in two dimensions
NASA Astrophysics Data System (ADS)
Dmitrašinović, V.; Salom, Igor
2014-08-01
We use the permutation symmetric hyperspherical three-body variables to cast the non-relativistic three-body Schrödinger equation in two dimensions into a set of (possibly decoupled) differential equations that define an eigenvalue problem for the hyper-radial wave function depending on an SO(4) hyper-angular matrix element. We express this hyper-angular matrix element in terms of SO(3) group Clebsch-Gordan coefficients and use the latter's properties to derive selection rules for potentials with different dynamical/permutation symmetries. Three-body potentials acting on three identical particles may have different dynamical symmetries, in order of increasing symmetry, as follows: (1) S3 ⊗ OL(2), the permutation times rotational symmetry, that holds in sums of pairwise potentials, (2) O(2) ⊗ OL(2), the so-called "kinematic rotations" or "democracy symmetry" times rotational symmetry, that holds in area-dependent potentials, and (3) O(4) dynamical hyper-angular symmetry, that holds in hyper-radial three-body potentials. We show how the different residual dynamical symmetries of the non-relativistic three-body Hamiltonian lead to different degeneracies of certain states within O(4) multiplets.
[Quantitative relationships between hyper-spectral vegetation indices and leaf area index of rice].
Tian, Yong-Chao; Yang, Jie; Yao, Xia; Zhu, Yan; Cao, Wei-Xing
2009-07-01
Based on field experiments with different rice varieties under different nitrogen application levels, the quantitative relationships of rice leaf area index (LAI) with canopy hyper-spectral parameters at different growth stages were analyzed. Rice LAI had good relationships with several hyper-spectral vegetation indices, the correlation coefficient being the highest with DI (difference index), followed by with RI (ratio index), and NI (normalized index), based on the spectral reflectance or the first derivative spectra. The two best spectral indices for estimating LAI were the difference index DI (854, 760) (based on two spectral bands of 850 nm and 760 nm) and the difference index DI (D676, D778) (based on two first derivative bands of 676 nm and 778 nm). In general, the hyper-spectral vegetation indices based on spectral reflectance performed better than the spectral indices based on the first derivative spectra. The tests with independent dataset suggested that the rice LAI monitoring models with difference index DI (854,760) as the variable could give an accurate LAI estimation, being available for estimation of rice LAI.
Structural optimization of framed structures using generalized optimality criteria
NASA Technical Reports Server (NTRS)
Kolonay, R. M.; Venkayya, Vipperla B.; Tischler, V. A.; Canfield, R. A.
1989-01-01
The application of a generalized optimality criteria to framed structures is presented. The optimality conditions, Lagrangian multipliers, resizing algorithm, and scaling procedures are all represented as a function of the objective and constraint functions along with their respective gradients. The optimization of two plane frames under multiple loading conditions subject to stress, displacement, generalized stiffness, and side constraints is presented. These results are compared to those found by optimizing the frames using a nonlinear mathematical programming technique.
Oliveira, João M.; Segurado, Pedro; Santos, José M.; Teixeira, Amílcar; Ferreira, Maria T.; Cortes, Rui V.
2012-01-01
Identifying the environmental gradients that control the functional structure of biological assemblages in reference conditions is fundamental to help river management and predict the consequences of anthropogenic stressors. Fish metrics (density of ecological guilds, and species richness) from 117 least disturbed stream reaches in several western Iberia river basins were modelled with generalized linear models in order to investigate the importance of regional- and local-scale abiotic gradients to variation in functional structure of fish assemblages. Functional patterns were primarily associated with regional features, such as catchment elevation and slope, rainfall, and drainage area. Spatial variations of fish guilds were thus associated with broad geographic gradients, showing (1) pronounced latitudinal patterns, affected mainly by climatic factors and topography, or (2) at the basin level, strong upstream-downstream patterns related to stream position in the longitudinal gradient. Maximum native species richness was observed in midsize streams in accordance with the river continuum concept. The findings of our study emphasized the need to use a multi-scale approach in order to fully assess the factors that govern the functional organization of biotic assemblages in ‘natural’ streams, as well as to improve biomonitoring and restoration of fluvial ecosystems. PMID:23029242
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hartemann, F V; Albert, F; Anderson, S G
Nuclear photonics is an emerging field of research requiring new tools, including high spectral brightness, tunable gamma-ray sources; high photon energy, ultrahigh-resolution crystal spectrometers; and novel detectors. This presentation focuses on the precision linac technology required for Compton scattering gamma-ray light sources, and on the optimization of the laser and electron beam pulse format to achieve unprecedented spectral brightness. Within this context, high-gradient X-band technology will be shown to offer optimal performance in a compact package, when used in conjunction with the appropriate pulse format, and photocathode illumination and interaction laser technologies. The nascent field of nuclear photonics is enabledmore » by the recent maturation of new technologies, including high-gradient X-band electron acceleration, robust fiber laser systems, and hyper-dispersion CPA. Recent work has been performed at LLNL to demonstrate isotope-specific detection of shielded materials via NRF using a tunable, quasi-monochromatic Compton scattering gamma-ray source operating between 0.2 MeV and 0.9 MeV photon energy. This technique is called Fluorescence Imaging in the Nuclear Domain with Energetic Radiation (or FINDER). This work has, among other things, demonstrated the detection of {sup 7}Li shielded by Pb, utilizing gamma rays generated by a linac-driven, laser-based Compton scattering gamma-ray source developed at LLNL. Within this context, a new facility is currently under construction at LLNL, with the goal of generating tunable {gamma}-rays in the 0.5-2.5 MeV photon energy range, at a repetition rate of 120 Hz, and with a peak brightness in the 10{sup 20} photons/(s x mm{sup 2} x mrad{sup 2} x 0.1% bw).« less
Stochastic estimates of gradient from laser measurements for an autonomous Martian roving vehicle
NASA Technical Reports Server (NTRS)
Burger, P. A.
1973-01-01
The general problem of estimating the state vector x from the state equation h = Ax where h, A, and x are all stochastic, is presented. Specifically, the problem is for an autonomous Martian roving vehicle to utilize laser measurements in estimating the gradient of the terrain. Error exists due to two factors - surface roughness and instrumental measurements. The errors in slope depend on the standard deviations of these noise factors. Numerically, the error in gradient is expressed as a function of instrumental inaccuracies. Certain guidelines for the accuracy of permissable gradient must be set. It is found that present technology can meet these guidelines.
Remote Acoustic Imaging of Geosynchronous Satellites
NASA Astrophysics Data System (ADS)
Watson, Z.; Hart, M.
Identification and characterization of orbiting objects that are not spatially resolved are challenging problems for traditional remote sensing methods. Hyper temporal imaging, enabled by fast, low-noise electro-optical detectors is a new sensing modality which may allow the direct detection of acoustic resonances on satellites enabling a new regime of signature and state detection. Detectable signatures may be caused by the oscillations of solar panels, high-gain antennae, or other on-board subsystems driven by thermal gradients, fluctuations in solar radiation pressure, worn reaction wheels, or orbit maneuvers. Herein we present the first hyper-temporal observations of geosynchronous satellites. Data were collected at the Kuiper 1.54-meter telescope in Arizona using an experimental dual-channel imaging instrument that simultaneously measures light in two orthogonally polarized beams at sampling rates extending up to 1 kHz. In these observations, we see evidence of acoustic resonances in the polarization state of satellites. The technique is expected to support object identification and characterization of on-board components and to act as a discriminant between active satellites, debris, and passive bodies.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Aguilo Valentin, Miguel Alejandro
2016-07-01
This study presents a new nonlinear programming formulation for the solution of inverse problems. First, a general inverse problem formulation based on the compliance error functional is presented. The proposed error functional enables the computation of the Lagrange multipliers, and thus the first order derivative information, at the expense of just one model evaluation. Therefore, the calculation of the Lagrange multipliers does not require the solution of the computationally intensive adjoint problem. This leads to significant speedups for large-scale, gradient-based inverse problems.
Rank-sparsity constrained atlas construction and phenotyping
NASA Astrophysics Data System (ADS)
Clark, D. P.; Badea, C. T.
2015-03-01
Atlas construction is of great interest in the medical imaging community as a tool to visually and quantitatively characterize anatomic variability within a population. Because such atlases generally exhibit superior data fidelity relative to the individual data sets from which they are constructed, they have also proven invaluable in numerous informatics applications such as automated segmentation and classification, regularization of individual-specific reconstructions from undersampled data, and for characterizing physiologically relevant functional metrics. Perhaps the most valuable role of an anatomic atlas is not to define what is "normal," but, in fact, to recognize what is "abnormal." Here, we propose and demonstrate a novel anatomic atlas construction strategy that simultaneously recovers the average anatomy and the deviation from average in a visually meaningful way. The proposed approach treats the problem of atlas construction within the context of robust principal component analysis (RPCA) in which the redundant portion of the data (i.e. the low rank atlas) is separated from the spatially and gradient sparse portion of the data unique to each individual (i.e. the sparse variation). In this paper, we demonstrate the application of RPCA to the Shepp-Logan phantom, including several forms of variability encountered with in vivo data: population variability, class variability, contrast variability, and individual variability. We then present preliminary results produced by applying the proposed approach to in vivo, murine cardiac micro-CT data acquired in a model of right ventricle hypertrophy induced by pulmonary arteriole hypertension.
Auditory frequency generalization in the goldfish (Carassius auratus)1
Fay, Richard R.
1970-01-01
Auditory frequency generalization in the goldfish was studied at five points within the best hearing range through the use of classical respiratory conditioning. Each experimental group received single-stimulus conditioning sessions at one of five stimulus frequencies (100, 200, 400, 800, and 1600 Hz), and were subsequently tested for generalization at eight neighboring frequencies. All stimuli were presented 30 db above absolute threshold. Significant generalization decrements were found for all subjects. For the subjects conditioned in the range between 100 and 800 Hz, a nearly complete failure to generalize was found at one octave above and below the training frequency. The subjects conditioned at 1600 Hz produced relatively more flat gradients between 900 and 2000 Hz. The widths of the generalization gradients, expressed in Hz, increased as a power function of frequency with a slope greater than one. PMID:16811481
Rheumatoid arthritis as a hyper-endoplasmic-reticulum-associated degradation disease.
Yamasaki, Satoshi; Yagishita, Naoko; Tsuchimochi, Kaneyuki; Nishioka, Kusuki; Nakajima, Toshihiro
2005-01-01
We introduce Synoviolin as a novel pathogenic factor in rheumatoid arthritis (RA). Experimental studies indicate that this endoplasmic reticulum (ER)-resident E3 ubiquitin ligase has important functions in the ER-associated degradation (ERAD) system, an essential system for ER homeostasis. Overexpression of Synoviolin in mice causes arthropathy with synovial hyperplasia, whereas heterozygous knockdown results in increased apoptosis of synovial cells and resistance to collagen-induced arthritis in mice. On the basis of these experimental data, we propose that excess elimination of unfolded proteins (that is, 'hyper-ERAD') by overexpression of Synoviolin triggers synovial cell overgrowth and hence a worsening of RA. Further analysis of the hyper-ERAD system may permit the complex pathomechanisms of RA to be uncovered.
NASA Technical Reports Server (NTRS)
Hill, Randall W., Jr.
1990-01-01
The issues of knowledge representation and control in hypermedia-based training environments are discussed. The main objective is to integrate the flexible presentation capability of hypermedia with a knowledge-based approach to lesson discourse management. The instructional goals and their associated concepts are represented in a knowledge representation structure called a 'concept network'. Its functional usages are many: it is used to control the navigation through a presentation space, generate tests for student evaluation, and model the student. This architecture was implemented in HyperCLIPS, a hybrid system that creates a bridge between HyperCard, a popular hypertext-like system used for building user interfaces to data bases and other applications, and CLIPS, a highly portable government-owned expert system shell.
Polychaete functional diversity in shallow habitats: Shelter from the storm
NASA Astrophysics Data System (ADS)
Wouters, Julia M.; Gusmao, Joao B.; Mattos, Gustavo; Lana, Paulo
2018-05-01
Innovative approaches are needed to help understanding how species diversity is related to the latitudinal gradient at large or small scales. We have applied a novel approach, by combining morphological and biological traits, to assess the relative importance of the large scale latitudinal gradient and regional morphodynamic drivers in shaping the functional diversity of polychaete assemblages in shallow water habitats, from exposed to estuarine sandy beaches. We used literature data on polychaetes from beaches along the southern and southeastern Brazilian coast together with data on beach types, slope, grain size, temperature, salinity, and chlorophyll a concentration. Generalized linear models on the FDis index for functional diversity calculated for each site and a combined RLQ and fourth-corner analysis were used to investigate relationships between functional traits and environmental variables. Functional diversity was not related to the latitudinal gradient but negatively correlated with grain size and beach slope. Functional diversity was highest in flat beaches with small grain size, little wave exposure and enhanced primary production, indicating that small scale morphodynamic conditions are the primary drivers of polychaete functional diversity.
An approach toward the numerical evaluation of multi-loop Feynman diagrams
NASA Astrophysics Data System (ADS)
Passarino, Giampiero
2001-12-01
A scheme for systematically achieving accurate numerical evaluation of multi-loop Feynman diagrams is developed. This shows the feasibility of a project aimed to produce a complete calculation for two-loop predictions in the Standard Model. As a first step an algorithm, proposed by F.V. Tkachov and based on the so-called generalized Bernstein functional relation, is applied to one-loop multi-leg diagrams with particular emphasis to the presence of infrared singularities, to the problem of tensorial reduction and to the classification of all singularities of a given diagram. Successively, the extension of the algorithm to two-loop diagrams is examined. The proposed solution consists in applying the functional relation to the one-loop sub-diagram which has the largest number of internal lines. In this way the integrand can be made smooth, a part from a factor which is a polynomial in xS, the vector of Feynman parameters needed for the complementary sub-diagram with the smallest number of internal lines. Since the procedure does not introduce new singularities one can distort the xS-integration hyper-contour into the complex hyper-plane, thus achieving numerical stability. The algorithm is then modified to deal with numerical evaluation around normal thresholds. Concise and practical formulas are assembled and presented, numerical results and comparisons with the available literature are shown and discussed for the so-called sunset topology.
NASA Astrophysics Data System (ADS)
Bürmen, Miran; Usenik, Peter; Fidler, Aleš; Pernuš, Franjo; Likar, Boštjan
2011-03-01
Dental caries is a disease characterized by demineralization of enamel crystals leading to the penetration of bacteria into the dentin and pulp. If left untreated, the disease can lead to pain, infection and tooth loss. Early detection of enamel demineralization resulting in increased enamel porosity, commonly known as white spots, is a difficult diagnostic task. Several papers reported on near infrared (NIR) spectroscopy to be a potentially useful noninvasive spectroscopic technique for early detection of caries lesions. However, the conducted studies were mostly qualitative and did not include the critical assessment of the spectral variability of the sound and carious dental tissues and influence of the water content. Such assessment is essential for development and validation of reliable qualitative and especially quantitative diagnostic tools based on NIR spectroscopy. In order to characterize the described spectral variability, a standardized diffuse reflectance hyper-spectral database was constructed by imaging 12 extracted human teeth with natural lesions of various degrees in the spectral range from 900 to 1700 nm with spectral resolution of 10 nm. Additionally, all the teeth were imaged by digital color camera. The influence of water content on the acquired spectra was characterized by monitoring the teeth during the drying process. The images were assessed by an expert, thereby obtaining the gold standard. By analyzing the acquired spectra we were able to accurately model the spectral variability of the sound dental tissues and identify the advantages and limitations of NIR hyper-spectral imaging.
Application of an adaptive neuro-fuzzy inference system to ground subsidence hazard mapping
NASA Astrophysics Data System (ADS)
Park, Inhye; Choi, Jaewon; Jin Lee, Moung; Lee, Saro
2012-11-01
We constructed hazard maps of ground subsidence around abandoned underground coal mines (AUCMs) in Samcheok City, Korea, using an adaptive neuro-fuzzy inference system (ANFIS) and a geographical information system (GIS). To evaluate the factors related to ground subsidence, a spatial database was constructed from topographic, geologic, mine tunnel, land use, and ground subsidence maps. An attribute database was also constructed from field investigations and reports on existing ground subsidence areas at the study site. Five major factors causing ground subsidence were extracted: (1) depth of drift; (2) distance from drift; (3) slope gradient; (4) geology; and (5) land use. The adaptive ANFIS model with different types of membership functions (MFs) was then applied for ground subsidence hazard mapping in the study area. Two ground subsidence hazard maps were prepared using the different MFs. Finally, the resulting ground subsidence hazard maps were validated using the ground subsidence test data which were not used for training the ANFIS. The validation results showed 95.12% accuracy using the generalized bell-shaped MF model and 94.94% accuracy using the Sigmoidal2 MF model. These accuracy results show that an ANFIS can be an effective tool in ground subsidence hazard mapping. Analysis of ground subsidence with the ANFIS model suggests that quantitative analysis of ground subsidence near AUCMs is possible.
Photonic Multitasking Interleaved Si Nanoantenna Phased Array.
Lin, Dianmin; Holsteen, Aaron L; Maguid, Elhanan; Wetzstein, Gordon; Kik, Pieter G; Hasman, Erez; Brongersma, Mark L
2016-12-14
Metasurfaces provide unprecedented control over light propagation by imparting local, space-variant phase changes on an incident electromagnetic wave. They can improve the performance of conventional optical elements and facilitate the creation of optical components with new functionalities and form factors. Here, we build on knowledge from shared aperture phased array antennas and Si-based gradient metasurfaces to realize various multifunctional metasurfaces capable of achieving multiple distinct functions within a single surface region. As a key point, we demonstrate that interleaving multiple optical elements can be accomplished without reducing the aperture of each subelement. Multifunctional optical elements constructed from Si-based gradient metasurface are realized, including axial and lateral multifocus geometric phase metasurface lenses. We further demonstrate multiwavelength color imaging with a high spatial resolution. Finally, optical imaging functionality with simultaneous color separation has been obtained by using multifunctional metasurfaces, which opens up new opportunities for the field of advanced imaging and display.
NASA Astrophysics Data System (ADS)
Wu, Peilin; Zhang, Qunying; Fei, Chunjiao; Fang, Guangyou
2017-04-01
Aeromagnetic gradients are typically measured by optically pumped magnetometers mounted on an aircraft. Any aircraft, particularly helicopters, produces significant levels of magnetic interference. Therefore, aeromagnetic compensation is essential, and least square (LS) is the conventional method used for reducing interference levels. However, the LSs approach to solving the aeromagnetic interference model has a few difficulties, one of which is in handling multicollinearity. Therefore, we propose an aeromagnetic gradient compensation method, specifically targeted for helicopter use but applicable on any airborne platform, which is based on the ɛ-support vector regression algorithm. The structural risk minimization criterion intrinsic to the method avoids multicollinearity altogether. Local aeromagnetic anomalies can be retained, and platform-generated fields are suppressed simultaneously by constructing an appropriate loss function and kernel function. The method was tested using an unmanned helicopter and obtained improvement ratios of 12.7 and 3.5 in the vertical and horizontal gradient data, respectively. Both of these values are probably better than those that would have been obtained from the conventional method applied to the same data, had it been possible to do so in a suitable comparative context. The validity of the proposed method is demonstrated by the experimental result.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Shah, Ashini; Coburn, Cary G.; Watson-Siriboe, Abena
2011-10-15
Polybrominated diphenyl ethers (PBDEs) and the structurally similar chemicals polychlorinated biphenyls (PCBs) disrupt the function of multiple endocrine systems. PCBs and PBDEs disrupt the secretion of vasopressin (VP) from the hypothalamus during osmotic activation. Since the peripheral and central vasopressinergic axes are critical for osmotic and cardiovascular regulation, we examined whether perinatal PBDE exposure could impact these functions during physiological activation. Rats were perinatally dosed with a commercial PBDE mixture, DE-71. Dams were given 0 (corn oil control), 1.7 (low dose) or 30.6 mg/kg/day (high dose) in corn oil from gestational day (GD) 6 through postnatal day (PND) 21 bymore » oral gavage. In the male offspring exposed to high dose PBDE plasma thyroxine and triiodothyronine levels were reduced at PND 21 and recovered to control levels by PND 60 when thyroid stimulating hormone levels were elevated. At 14-18 months of age, cardiovascular responses were measured in four groups of rats: Normal (Oil, normosmotic condition), Hyper (Oil, hyperosmotic stress), Hyper PBDE low (1.7 mg/kg/day DE-71 perinatally, hyperosmotic stress), and Hyper PBDE high (30.6 mg/kg/day DE-71 perinatally, hyperosmotic stress). Systolic blood pressure (BP), diastolic BP, and heart rate (HR) were determined using tail cuff sphygmomanometry and normalized to pretreatment values (baseline) measured under basal conditions. Hyperosmotic treatment yielded significant changes in systolic BP in PBDE exposed rats only. Hyper PBDE low and high dose rats showed 36.1 and 64.7% greater systolic BP responses at 3 h post hyperosmotic injection relative to pretreatment baseline, respectively. No treatment effects were measured for diastolic BP and HR. Hyper and Hyper PBDE rats showed increased mean plasma osmolality values by 45 min after injection relative to normosmotic controls. In contrast to Hyper rats, Hyper PBDE (high) rats showed a further increase in mean plasma osmolality at 3 h (358.3 {+-} 12.4 mOsm/L) relative to 45 min post hyperosmotic injection (325.1 {+-} 11.4 mOsm/L). Impaired osmoregulation in PBDE-treated animals could not be attributed to decreased levels of plasma vasopressin. Our findings suggest that developmental exposure to PBDEs may disrupt cardiovascular reactivity and osmoregulatory responses to physiological activation in late adulthood. - Highlights: > We examined whether PBDE exposure could impact osmotic and cardiovascular regulation. > Hyperosmotic treatment yielded significant changes in systolic BP in PBDE exposed rats only. > PBDEs may disrupt cardiovascular and osmoregulatory responses to physiological activation.« less
Ren, Xiang; Wang, Fuyou; Chen, Cheng; Gong, Xiaoyuan; Yin, Li; Yang, Liu
2016-07-20
Cartilage tissue engineering is a promising approach for repairing and regenerating cartilage tissue. To date, attempts have been made to construct zonal cartilage that mimics the cartilaginous matrix in different zones. However, little attention has been paid to the chondrocyte density gradient within the articular cartilage. We hypothesized that the chondrocyte density gradient plays an important role in forming the zonal distribution of extracellular matrix (ECM). In this study, collagen type II hydrogel/chondrocyte constructs were fabricated using a bioprinter. Three groups were created according to the total cell seeding density in collagen type II pre-gel: Group A, 2 × 10(7) cells/mL; Group B, 1 × 10(7) cells/mL; and Group C, 0.5 × 10(7) cells/mL. Each group included two types of construct: one with a biomimetic chondrocyte density gradient and the other with a single cell density. The constructs were cultured in vitro and harvested at 0, 1, 2, and 3 weeks for cell viability testing, reverse-transcription quantitative PCR (RT-qPCR), biochemical assays, and histological analysis. We found that total ECM production was positively correlated with the total cell density in the early culture stage, that the cell density gradient distribution resulted in a gradient distribution of ECM, and that the chondrocytes' biosynthetic ability was affected by both the total cell density and the cell distribution pattern. Our results suggested that zonal engineered cartilage could be fabricated by bioprinting collagen type II hydrogel constructs with a biomimetic cell density gradient. Both the total cell density and the cell distribution pattern should be optimized to achieve synergistic biological effects.
Wei, Zhao; Lewis, Daniel M; Xu, Yu; Gerecht, Sharon
2017-08-01
Gradient hydrogels have been developed to mimic the spatiotemporal differences of multiple gradient cues in tissues. Current approaches used to generate such hydrogels are restricted to a single gradient shape and distribution. Here, a hydrogel is designed that includes two chemical cross-linking networks, biofunctional, and self-healing networks, enabling the customizable formation of modular gradient hydrogel construct with various gradient distributions and flexible shapes. The biofunctional networks are formed via Michael addition between the acrylates of oxidized acrylated hyaluronic acid (OAHA) and the dithiol of matrix metalloproteinase (MMP)-sensitive cross-linker and RGD peptides. The self-healing networks are formed via dynamic Schiff base reaction between N-carboxyethyl chitosan (CEC) and OAHA, which drives the modular gradient units to self-heal into an integral modular gradient hydrogel. The CEC-OAHA-MMP hydrogel exhibits excellent flowability at 37 °C under shear stress, enabling its injection to generate gradient distributions and shapes. Furthermore, encapsulated sarcoma cells respond to the gradient cues of RGD peptides and MMP-sensitive cross-linkers in the hydrogel. With these superior properties, the dual cross-linked CEC-OAHA-MMP hydrogel holds significant potential for generating customizable gradient hydrogel constructs, to study and guide cellular responses to their microenvironment such as in tumor mimicking, tissue engineering, and stem cell differentiation and morphogenesis. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Lim, Joseph B; Barker, Kimberly A; Huang, Beijing K; Sikes, Hadley D
2014-11-01
Genetically encoded, fluorescent biosensors have been developed to probe the activities of various signaling molecules inside cells ranging from changes in intracellular ion concentrations to dynamics of lipid second messengers. HyPer is a member of this class of biosensors and is the first to dynamically respond to hydrogen peroxide (H2O2), a reactive oxygen species that functions as a signaling molecule. However, detailed characterization of HyPer's signal is not currently available within the context of bacteria exposed to external oxidative stress, which occurs in the immunological response of higher organisms against invasive pathogenic bacteria. Here, we performed this characterization, specifically in Escherichia coli exposed to external H2O2. We found that the temporal behavior of the signal does not correspond exactly to peroxide concentration in the system as a function of time and expression of the sensor decreases the peroxide scavenging activity of the cell. We also determined the effects of cell number, both before and after normalization of externally added H2O2 to the number of cells. Finally, we report quantitative characteristics of HyPer's signal in this context, including the dynamic range of the signal, the signal-to-noise ratio, and the half saturation constant. These parameters show statistically meaningful differences in signal between two commonly used strains of E. coli, demonstrating how signal can vary with strain. Taken together, our results establish a systematic, quantitative framework for researchers seeking to better understand the role of H2O2 in the immunological response against bacteria, and for understanding potential differences in the details of HyPer's quantitative performance across studies. Copyright © 2014 Elsevier B.V. All rights reserved.
Hyper-Theory-of-Mind in Children with Psychotic Experiences
Clemmensen, Lars; van Os, Jim; Skovgaard, Anne Mette; Væver, Mette; Blijd-Hoogewys, Els M. A.; Bartels-Velthuis, Agna A.; Jeppesen, Pia
2014-01-01
Background Alterations in Theory-of-Mind (ToM) are associated with psychotic disorder. In addition, studies in children have documented that alterations in ToM are associated with Psychotic Experiences (PE). Our aim was to examine associations between an exaggerated type of ToM (HyperToM) and PE in children. Children with this type of alteration in ToM infer mental states when none are obviously suggested, and predict behaviour on the basis of these erroneous beliefs. Individuals with HyperToM do not appear to have a conceptual deficit (i.e. lack of representational abilities), but rather they apply their theory of the minds of others in an incorrect or biased way. Method Hypotheses were tested in two studies with two independent samples: (i) a general population sample of 1630 Danish children aged 11–12 years, (ii) a population-based sample of 259 Dutch children aged 12–13 years, pertaining to a case-control sampling frame of children with auditory verbal hallucinations. Multinomial regression analyses were carried out to investigate the associations between PE and ToM and HyperToM respectively. Analyses were adjusted for gender and proxy measures of general intelligence. Results Low ToM score was significantly associated with PE in sample I (OR = 1.6 95%CI 1.1–2.3 χ2(4) = 12.42 p = 0.010), but not in sample II (OR = 0.9 95%CI 0.5–1.8 χ2(3) = 7.13 p = 0.816). HyperToM was significantly associated with PE both in sample I (OR = 1.8, 95%CI 1.2–2.7 χ2(3) = 10.11 p = 0.006) and II (OR = 4.6, 95%CI 1.3–16.2 χ2(2) = 7.56 p = 0.018). HyperToM was associated particularly with paranoid delusions in both sample I (OR = 2.0, 95%CI: 1.1–3.7% χ2(4) = 9.93 p = 0.021) and II (OR = 6.2 95%CI: 1.7–23.6% χ2(4) = 9.90 p = 0.044). Conclusion Specific alterations in ToM may be associated with specific types of psychotic experiences. HyperToM may index risk for developing psychosis and paranoid delusions in particular. PMID:25397582
Evans, I M; Pickard, M R; Sinha, A K; Leonard, A J; Sampson, D C; Ekins, R P
2002-12-01
Maternal hypothyroidism during pregnancy impairs brain function in human and rat offspring, but little is known regarding the influence of maternal hyperthyroidism on neurodevelopment. We have previously shown that the expression of neuronal and glial differentiation markers in fetal brain is compromised in hypothyroid rat dam pregnancies and have now therefore extended this investigation to hyperthyroid rat dams. Study groups comprised partially thyroidectomised dams, implanted with osmotic pumps infusing either vehicle (TX dams) or a supraphysiological dose of thyroxine (T4) (HYPER dams), and euthyroid dams infused with vehicle (N dams). Cytoskeletal protein abundance was determined in fetal brain at 21 days of gestation by immunoblot analysis. Relative to N dams, circulating total T4 levels were reduced to around one-third in TX dams but were doubled in HYPER dams. Fetal brain weight was increased in HYPER dams, whereas litter size and fetal body weight were reduced in TX dams. Glial fibrillary acidic protein expression was similar in HYPER and TX dams, being reduced in both cases relative to N dams. alpha-Internexin (INX) abundance was reduced in HYPER dams and increased in TX dams, whereas neurofilament 68 (NF68) exhibited increased abundance in HYPER dams. Furthermore, INX was inversely related to - and NF68 directly related to - maternal serum total T4 levels, independently of fetal brain weight. In conclusion, maternal hyperthyroidism compromises the expression of neuronal cytoskeletal proteins in late fetal brain, suggestive of a pattern of accelerated neuronal differentiation.
p53 suppresses hyper-recombination by modulating BRCA1 function
Dong, Chao; Zhang, Fengmei; Luo, Yue; Wang, Hui; Zhao, Xipeng; Guo, Gongshe; Powell, Simon N.; Feng, Zhihui
2015-01-01
Both p53 and BRCA1 are tumor suppressors and are involved in a number of cellular processes including cell cycle arrest, apoptosis, transcriptional regulation, and DNA damage repair. Some studies have suggested that the association of BRCA1 and p53 is required for transcriptional regulation of genes involved in cell replication and DNA repair pathways. However, the relationship between the two proteins in molecular mechanisms of DNA repair is still not clear. Therefore, we sought to determine whether there is a functional link between p53 and BRCA1 in DNA repair. Firstly, using a plasmid recombination substrate, pDR-GFP, integrated into the genome of breast cancer cell line MCF7, we have demonstrated that p53 suppressed Rad51-mediated hyper-recombinational repair by two independent cell models of HPV-E6 induced p53 inactivation and p53 knockdown assay. Our study further indicated that p53 mediated homologous recombination (HR) through inhibiting BRCA1 over-function via mechanism of transcription regulation in response to DNA repair. Since it was found p53 and BRCA1 existed in a protein complex, indicating both proteins may be associated at post-transcriptional level. Moreover, defective p53-induced hyper-recombination was associated with cell radioresistance and chromosomal stability, strongly supporting the involvement of p53 in the inhibition of hyper-recombination, which led to genetic stability and cellular function in response to DNA damage. In addition, it was found that p53 loss rescued BRCA1 deficiency via recovering HR and chromosomal stability, suggesting that p53 is also involved in the HR-inhibition independently of BRCA1. Thus, our data indicated that p53 was involved in inhibiting recombination by both BRCA1-dependent and -independent mechanisms, and there is a functional link between p53-suppression and BRCA1-promotion in regulation of HR activity at transcription level and possible post-transcription level. PMID:26162908
The hypermultiplet with Heisenberg isometry in N = 2 global and local supersymmetry
NASA Astrophysics Data System (ADS)
Ambrosetti, Nicola; Antoniadis, Ignatios; Derendinger, Jean-Pierre; Tziveloglou, Pantelis
2011-06-01
The string coupling of N = 2 supersymmetric compactifications of type II string theory on a Calabi-Yau manifold belongs to the so-called universal dilaton hyper-multiplet, that has four real scalars living on a quaternion-Kähler manifold. Requiring Heisenberg symmetry, which is a maximal subgroup of perturbative isometries, reduces the possible manifolds to a one-parameter family that describes the tree-level effective action deformed by the only possible perturbative correction arising at one-loop level. A similar argument can be made at the level of global supersymmetry where the scalar manifold is hyper-Kähler. In this work, the connection between global and local supersymmetry is explicitly constructed, providing a non-trivial gravity decoupled limit of type II strings already in perturbation theory.
A Just-in-Time Learning based Monitoring and Classification Method for Hyper/Hypocalcemia Diagnosis.
Peng, Xin; Tang, Yang; He, Wangli; Du, Wenli; Qian, Feng
2017-01-20
This study focuses on the classification and pathological status monitoring of hyper/hypo-calcemia in the calcium regulatory system. By utilizing the Independent Component Analysis (ICA) mixture model, samples from healthy patients are collected, diagnosed, and subsequently classified according to their underlying behaviors, characteristics, and mechanisms. Then, a Just-in-Time Learning (JITL) has been employed in order to estimate the diseased status dynamically. In terms of JITL, for the purpose of the construction of an appropriate similarity index to identify relevant datasets, a novel similarity index based on the ICA mixture model is proposed in this paper to improve online model quality. The validity and effectiveness of the proposed approach have been demonstrated by applying it to the calcium regulatory system under various hypocalcemic and hypercalcemic diseased conditions.
Structural Analysis and Design Software
NASA Technical Reports Server (NTRS)
1997-01-01
Collier Research and Development Corporation received a one-of-a-kind computer code for designing exotic hypersonic aircraft called ST-SIZE in the first ever Langley Research Center software copyright license agreement. Collier transformed the NASA computer code into a commercial software package called HyperSizer, which integrates with other Finite Element Modeling and Finite Analysis private-sector structural analysis program. ST-SIZE was chiefly conceived as a means to improve and speed the structural design of a future aerospace plane for Langley Hypersonic Vehicles Office. Including the NASA computer code into HyperSizer has enabled the company to also apply the software to applications other than aerospace, including improved design and construction for offices, marine structures, cargo containers, commercial and military aircraft, rail cars, and a host of everyday consumer products.
Forest tree species clssification based on airborne hyper-spectral imagery
NASA Astrophysics Data System (ADS)
Dian, Yuanyong; Li, Zengyuan; Pang, Yong
2013-10-01
Forest precision classification products were the basic data for surveying of forest resource, updating forest subplot information, logging and design of forest. However, due to the diversity of stand structure, complexity of the forest growth environment, it's difficult to discriminate forest tree species using multi-spectral image. The airborne hyperspectral images can achieve the high spatial and spectral resolution imagery of forest canopy, so it will good for tree species level classification. The aim of this paper was to test the effective of combining spatial and spectral features in airborne hyper-spectral image classification. The CASI hyper spectral image data were acquired from Liangshui natural reserves area. Firstly, we use the MNF (minimum noise fraction) transform method for to reduce the hyperspectral image dimensionality and highlighting variation. And secondly, we use the grey level co-occurrence matrix (GLCM) to extract the texture features of forest tree canopy from the hyper-spectral image, and thirdly we fused the texture and the spectral features of forest canopy to classify the trees species using support vector machine (SVM) with different kernel functions. The results showed that when using the SVM classifier, MNF and texture-based features combined with linear kernel function can achieve the best overall accuracy which was 85.92%. It was also confirm that combine the spatial and spectral information can improve the accuracy of tree species classification.
Hong, X; Harris, C J
2000-01-01
This paper introduces a new neurofuzzy model construction algorithm for nonlinear dynamic systems based upon basis functions that are Bézier-Bernstein polynomial functions. This paper is generalized in that it copes with n-dimensional inputs by utilising an additive decomposition construction to overcome the curse of dimensionality associated with high n. This new construction algorithm also introduces univariate Bézier-Bernstein polynomial functions for the completeness of the generalized procedure. Like the B-spline expansion based neurofuzzy systems, Bézier-Bernstein polynomial function based neurofuzzy networks hold desirable properties such as nonnegativity of the basis functions, unity of support, and interpretability of basis function as fuzzy membership functions, moreover with the additional advantages of structural parsimony and Delaunay input space partition, essentially overcoming the curse of dimensionality associated with conventional fuzzy and RBF networks. This new modeling network is based on additive decomposition approach together with two separate basis function formation approaches for both univariate and bivariate Bézier-Bernstein polynomial functions used in model construction. The overall network weights are then learnt using conventional least squares methods. Numerical examples are included to demonstrate the effectiveness of this new data based modeling approach.
NASA Astrophysics Data System (ADS)
Malykh, A. A.; Nutku, Y.; Sheftel, M. B.
2003-10-01
We extend the Mason-Newman Lax pair for the elliptic complex Monge-Ampère equation so that this equation itself emerges as an algebraic consequence. We regard the function in the extended Lax equations as a complex potential. Their differential compatibility condition coincides with the determining equation for the symmetries of the complex Monge-Ampère equation. We shall identify the real and imaginary parts of the potential, which we call partner symmetries, with the translational and dilatational symmetry characteristics, respectively. Then we choose the dilatational symmetry characteristic as the new unknown replacing the Kähler potential. This directly leads to a Legendre transformation. Studying the integrability conditions of the Legendre-transformed system we arrive at a set of linear equations satisfied by a single real potential. This enables us to construct non-invariant solutions of the Legendre transform of the complex Monge-Ampère equation. Using these solutions we obtained explicit Legendre-transformed hyper-Kähler metrics with a anti-self-dual Riemann curvature 2-form that admit no Killing vectors. They satisfy the Einstein field equations with Euclidean signature. We give the detailed derivation of the solution announced earlier and present a new solution with an added parameter. We compare our method of partner symmetries for finding non-invariant solutions to that of Dunajski and Mason who use 'hidden' symmetries for the same purpose.
Probing the molecular design of hyper-branched aryl polyesters towards lubricant applications
Robinson, Joshua W.; Zhou, Yan; Bhattacharya, Priyanka; ...
2016-01-05
We report novel polymeric materials that may be used as viscosity index improvers (VII) for lubricant applications. Our efforts included probing the comb-burst hyper-branched aryl polyester architecture for beneficial viscosity and friction behavior when utilized as an additive in a group I oil. The monomer was designed as to undergo polymerization via polycondensation within the architectural construct (AB2), typical of hyperbranched polymers. The monomer design was comprised of aliphatic arms (12 or 16 methylenes) to provide the necessary lipophilicity to achieve solubility in a non-polar medium. Once polymerized, via catalyst and heat, the surface alcohols were functionalized with fatty acidsmore » (lauric and palmitic). Controlling the aliphatic nature of the internal arms and peripheral end-groups provided four unique flexible polymer designs. Changing the reaction time and concentration provided opportunities to investigate the influence of molecular weight and branching density on oil-solubility, viscosity, and friction. Oil-solubility was found to decrease with fewer internal carbons, but the number of internal carbons appears to have little influence on the bulk solution viscosity. Increased branching and degree of polymerization, and thus molecular weight, were found to reduce the solubility of these systems in the base oil. At concentrations of 2 wt % in a group I base oil, these polymer additives demonstrated improved viscosity index and reduced friction coefficient, validating the basic approach.« less
Probing the molecular design of hyper-branched aryl polyesters towards lubricant applications
DOE Office of Scientific and Technical Information (OSTI.GOV)
Robinson, Joshua W.; Zhou, Yan; Bhattacharya, Priyanka
We report novel polymeric materials that may be used as viscosity index improvers (VII) for lubricant applications. Our efforts included probing the comb-burst hyper-branched aryl polyester architecture for beneficial viscosity and friction behavior when utilized as an additive in a group I oil. The monomer was designed as to undergo polymerization via polycondensation within the architectural construct (AB2), typical of hyperbranched polymers. The monomer design was comprised of aliphatic arms (12 or 16 methylenes) to provide the necessary lipophilicity to achieve solubility in a non-polar medium. Once polymerized, via catalyst and heat, the surface alcohols were functionalized with fatty acidsmore » (lauric and palmitic). Controlling the aliphatic nature of the internal arms and peripheral end-groups provided four unique flexible polymer designs. Changing the reaction time and concentration provided opportunities to investigate the influence of molecular weight and branching density on oil-solubility, viscosity, and friction. Oil-solubility was found to decrease with fewer internal carbons, but the number of internal carbons appears to have little influence on the bulk solution viscosity. Increased branching and degree of polymerization, and thus molecular weight, were found to reduce the solubility of these systems in the base oil. At concentrations of 2 wt % in a group I base oil, these polymer additives demonstrated improved viscosity index and reduced friction coefficient, validating the basic approach.« less
NASA Astrophysics Data System (ADS)
Gosselin, Jeremy M.; Dosso, Stan E.; Cassidy, John F.; Quijano, Jorge E.; Molnar, Sheri; Dettmer, Jan
2017-10-01
This paper develops and applies a Bernstein-polynomial parametrization to efficiently represent general, gradient-based profiles in nonlinear geophysical inversion, with application to ambient-noise Rayleigh-wave dispersion data. Bernstein polynomials provide a stable parametrization in that small perturbations to the model parameters (basis-function coefficients) result in only small perturbations to the geophysical parameter profile. A fully nonlinear Bayesian inversion methodology is applied to estimate shear wave velocity (VS) profiles and uncertainties from surface wave dispersion data extracted from ambient seismic noise. The Bayesian information criterion is used to determine the appropriate polynomial order consistent with the resolving power of the data. Data error correlations are accounted for in the inversion using a parametric autoregressive model. The inversion solution is defined in terms of marginal posterior probability profiles for VS as a function of depth, estimated using Metropolis-Hastings sampling with parallel tempering. This methodology is applied to synthetic dispersion data as well as data processed from passive array recordings collected on the Fraser River Delta in British Columbia, Canada. Results from this work are in good agreement with previous studies, as well as with co-located invasive measurements. The approach considered here is better suited than `layered' modelling approaches in applications where smooth gradients in geophysical parameters are expected, such as soil/sediment profiles. Further, the Bernstein polynomial representation is more general than smooth models based on a fixed choice of gradient type (e.g. power-law gradient) because the form of the gradient is determined objectively by the data, rather than by a subjective parametrization choice.
Sail Plan Configuration Optimization for a Modern Clipper Ship
NASA Astrophysics Data System (ADS)
Gerritsen, Margot; Doyle, Tyler; Iaccarino, Gianluca; Moin, Parviz
2002-11-01
We investigate the use of gradient-based and evolutionary algorithms for sail shape optimization. We present preliminary results for the optimization of sheeting angles for the rig of the future three-masted clipper yacht Maltese Falcon. This yacht will be equipped with square-rigged masts made up of yards of circular arc cross sections. This design is especially attractive for megayachts because it provides a large sail area while maintaining aerodynamic and structural efficiency. The rig remains almost rigid in a large range of wind conditions and therefore a simple geometrical model can be constructed without accounting for the true flying shape. The sheeting angle optimization studies are performed using both gradient-based cost function minimization and evolutionary algorithms. The fluid flow is modeled by the Reynolds-averaged Navier-Stokes equations with the Spallart-Allmaras turbulence model. Unstructured non-conforming grids are used to increase robustness and computational efficiency. The optimization process is automated by integrating the system components (geometry construction, grid generation, flow solver, force calculator, optimization). We compare the optimization results to those done previously by user-controlled parametric studies using simple cost functions and user intuition. We also investigate the effectiveness of various cost functions in the optimization (driving force maximization, ratio of driving force to heeling force maximization).
NASA Astrophysics Data System (ADS)
Dyckmanns, Malte; Vaughan, Owen
2017-06-01
We generalise the hyper-Kähler/quaternionic Kähler (HK/QK) correspondence to include para-geometries, and present a new concise proof that the target manifold of the HK/QK correspondence is quaternionic Kähler. As an application, we construct one-parameter deformations of the temporal and Euclidean supergravity c-map metrics and show that they are para-quaternionic Kähler.
Wind Tunnel Results of the B-52B with the X-43A Stack
NASA Technical Reports Server (NTRS)
Davis, Mark C.; Sim, Alexander G.; Rhode, Matthew; Johnson, Kevin D.
2006-01-01
A low-speed wind-tunnel test was performed with a three-percent-scale model of a booster rocket mated to an X-43A research vehicle, a combination referred to as the Hyper-X launch vehicle. The test was conducted both in free-stream air and in the presence of a partial model of the B-52B airplane. The objectives of the test were to obtain force and moment data to generate structural loads affecting the pylon of the B-52B airplane and to determine the aerodynamic influence of the B-52B airplane on the Hyper-X launch vehicle to evaluate launch separation characteristics. The wind-tunnel test was conducted at a low-speed wind tunnel in Hampton, Virginia. All moments and forces reported are based either on the aerodynamic influence of the B-52B airplane or are for the Hyper-X launch vehicle in free-stream air. Overall, the test showed that the B-52B airplane imparts a strong downwash onto the Hyper-X launch vehicle, reducing the net lift of the Hyper-X launch vehicle. Also, pitching and rolling moments are imparted onto the booster and are a strong function of the launch-drop angle of attack.
Covariation in Plant Functional Traits and Soil Fertility within Two Species-Rich Forests
Liu, Xiaojuan; Swenson, Nathan G.; Wright, S. Joseph; Zhang, Liwen; Song, Kai; Du, Yanjun; Zhang, Jinlong; Mi, Xiangcheng; Ren, Haibao; Ma, Keping
2012-01-01
The distribution of plant species along environmental gradients is expected to be predictable based on organismal function. Plant functional trait research has shown that trait values generally vary predictably along broad-scale climatic and soil gradients. This work has also demonstrated that at any one point along these gradients there is a large amount of interspecific trait variation. The present research proposes that this variation may be explained by the local-scale sorting of traits along soil fertility and acidity axes. Specifically, we predicted that trait values associated with high resource acquisition and growth rates would be found on soils that are more fertile and less acidic. We tested the expected relationships at the species-level and quadrat-level (20×20 m) using two large forest plots in Panama and China that contain over 450 species combined. Predicted relationships between leaf area and wood density and soil fertility were supported in some instances, but the majority of the predicted relationships were rejected. Alternative resource axes, such as light gradients, therefore likely play a larger role in determining the interspecific variability in plant functional traits in the two forests studied. PMID:22509355
Shpagina, L A; Ermakova, M A; Volkova, E A; Iakovleva, S A
2008-01-01
Peculiarities of military occupational activities are repeated stress and high degree of psychoemotional strain. The article deals with results of momentary study covering a select from military men cohort, with thyroid tests, renal functional tests, diurnal monitoring of blood pressure and psychologic state assessment. Course of arterial hypertension in military men subjected to chronic stress presents prevailing systolic-diastolic and diastolic variants with excessive decrease of blood pressure at night, with high values of albuminuria. Psychologic state of the military men examined, whe were subjects to chronic stress, was mostly mixed reactivity type with general overstrain and somatization of inner conflict (psychosomatic variant of dysadaptation). The authors demonstrated close correlation between intrinsic emotional strain degree with arterial hypertension type according to "hyper-dipper" variant and free T3 level.
NASA Astrophysics Data System (ADS)
Cho, Yumi
2018-05-01
We study nonlinear elliptic problems with nonstandard growth and ellipticity related to an N-function. We establish global Calderón-Zygmund estimates of the weak solutions in the framework of Orlicz spaces over bounded non-smooth domains. Moreover, we prove a global regularity result for asymptotically regular problems which are getting close to the regular problems considered, when the gradient variable goes to infinity.
Stochastic estimates of gradient from laser measurements for an autonomous Martian Roving Vehicle
NASA Technical Reports Server (NTRS)
Shen, C. N.; Burger, P.
1973-01-01
The general problem presented in this paper is one of estimating the state vector x from the state equation h = Ax, where h, A, and x are all stochastic. Specifically, the problem is for an autonomous Martian Roving Vehicle to utilize laser measurements in estimating the gradient of the terrain. Error exists due to two factors - surface roughness and instrumental measurements. The errors in slope depend on the standard deviations of these noise factors. Numerically, the error in gradient is expressed as a function of instrumental inaccuracies. Certain guidelines for the accuracy of permissable gradient must be set. It is found that present technology can meet these guidelines.-
Melanoma segmentation based on deep learning.
Zhang, Xiaoqing
2017-12-01
Malignant melanoma is one of the most deadly forms of skin cancer, which is one of the world's fastest-growing cancers. Early diagnosis and treatment is critical. In this study, a neural network structure is utilized to construct a broad and accurate basis for the diagnosis of skin cancer, thereby reducing screening errors. The technique is able to improve the efficacy for identification of normally indistinguishable lesions (such as pigment spots) versus clinically unknown lesions, and to ultimately improve the diagnostic accuracy. In the field of medical imaging, in general, using neural networks for image segmentation is relatively rare. The existing traditional machine-learning neural network algorithms still cannot completely solve the problem of information loss, nor detect the precise division of the boundary area. We use an improved neural network framework, described herein, to achieve efficacious feature learning, and satisfactory segmentation of melanoma images. The architecture of the network includes multiple convolution layers, dropout layers, softmax layers, multiple filters, and activation functions. The number of data sets can be increased via rotation of the training set. A non-linear activation function (such as ReLU and ELU) is employed to alleviate the problem of gradient disappearance, and RMSprop/Adam are incorporated to optimize the loss algorithm. A batch normalization layer is added between the convolution layer and the activation layer to solve the problem of gradient disappearance and explosion. Experiments, described herein, show that our improved neural network architecture achieves higher accuracy for segmentation of melanoma images as compared with existing processes.
Messerli, Mark A.; Collis, Leon P.; Smith, Peter J.S.
2009-01-01
Previously, functional mapping of channels has been achieved by measuring the passage of net charge and of specific ions with electrophysiological and intracellular fluorescence imaging techniques. However, functional mapping of ion channels using extracellular ion-selective microelectrodes has distinct advantages over the former methods. We have developed this method through measurement of extracellular K+ gradients caused by efflux through Ca2+-activated K+ channels expressed in Chinese hamster ovary cells. We report that electrodes constructed with short columns of a mechanically stable K+-selective liquid membrane respond quickly and measure changes in local [K+] consistent with a diffusion model. When used in close proximity to the plasma membrane (<4 μm), the ISMs pose a barrier to simple diffusion, creating an ion trap. The ion trap amplifies the local change in [K+] without dramatically changing the rise or fall time of the [K+] profile. Measurement of extracellular K+ gradients from activated rSlo channels shows that rapid events, 10–55 ms, can be characterized. This method provides a noninvasive means for functional mapping of channel location and density as well as for characterizing the properties of ion channels in the plasma membrane. PMID:19217875
Spectral characterization and calibration of AOTF spectrometers and hyper-spectral imaging system
NASA Astrophysics Data System (ADS)
Katrašnik, Jaka; Pernuš, Franjo; Likar, Boštjan
2010-02-01
The goal of this article is to present a novel method for spectral characterization and calibration of spectrometers and hyper-spectral imaging systems based on non-collinear acousto-optical tunable filters. The method characterizes the spectral tuning curve (frequency-wavelength characteristic) of the AOTF (Acousto-Optic Tunable Filter) filter by matching the acquired and modeled spectra of the HgAr calibration lamp, which emits line spectrum that can be well modeled via AOTF transfer function. In this way, not only tuning curve characterization and corresponding spectral calibration but also spectral resolution assessment is performed. The obtained results indicated that the proposed method is efficient, accurate and feasible for routine calibration of AOTF spectrometers and hyper-spectral imaging systems and thereby a highly competitive alternative to the existing calibration methods.
Cerebral processing of auditory stimuli in patients with irritable bowel syndrome
Andresen, Viola; Poellinger, Alexander; Tsrouya, Chedwa; Bach, Dominik; Stroh, Albrecht; Foerschler, Annette; Georgiewa, Petra; Schmidtmann, Marco; van der Voort, Ivo R; Kobelt, Peter; Zimmer, Claus; Wiedenmann, Bertram; Klapp, Burghard F; Monnikes, Hubert
2006-01-01
AIM: To determine by brain functional magnetic resonance imaging (fMRI) whether cerebral processing of non-visceral stimuli is altered in irritable bowel syndrome (IBS) patients compared with healthy subjects. To circumvent spinal viscerosomatic convergence mechanisms, we used auditory stimulation, and to identify a possible influence of psychological factors the stimuli differed in their emotional quality. METHODS: In 8 IBS patients and 8 controls, fMRI measurements were performed using a block design of 4 auditory stimuli of different emotional quality (pleasant sounds of chimes, unpleasant peep (2000 Hz), neutral words, and emotional words). A gradient echo T2*-weighted sequence was used for the functional scans. Statistical maps were constructed using the general linear model. RESULTS: To emotional auditory stimuli, IBS patients relative to controls responded with stronger deactivations in a greater variety of emotional processing regions, while the response patterns, unlike in controls, did not differentiate between distressing or pleasant sounds. To neutral auditory stimuli, by contrast, only IBS patients responded with large significant activations. CONCLUSION: Altered cerebral response patterns to auditory stimuli in emotional stimulus-processing regions suggest that altered sensory processing in IBS may not be specific for visceral sensation, but might reflect generalized changes in emotional sensitivity and affective reactivity, possibly associated with the psychological comorbidity often found in IBS patients. PMID:16586541
Adsorbate Diffusion on Transition Metal Nanoparticles
2015-01-01
different sizes and shapes using density functional theory calculations. We show that nanoparticles bind adsorbates more strongly than the...structure theoretical methods, a quantitative study with accurate density functional theory (DFT) calculations is still missing. Here, we perform a...functional theory . The projector augmented wave (PAW) potentials29,30 were used for electron- ion interactions and the generalized gradient approximation
Experiments on the Motion of Drops on a Horizontal Solid Surface due to a Wettability Gradient
NASA Technical Reports Server (NTRS)
Moumen, Nadjoua; Subramanian, R, Shankar; MLaughlin, john B.
2006-01-01
Results from experiments performed on the motion of drops of tetraethylene glycol in a wettability gradient present on a silicon surface are reported and compared with predictions from a recently developed theoretical model. The gradient in wettability was formed by exposing strips cut from a silicon wafer to decyltrichlorosiland vapors. Video images of the drops captured during the experiments were subsequently analyzed for drop size and velocity as functions of position along the gradient. In separate experiments on the same strips, the static contact angle formed by small drops was measured and used to obtain the local wettability gradient to which a drop is subjected. The velocity of the drops was found to be a strong function of position along the gradient. A quasi-steady theoretical model that balances the local hydrodynamic resistance with the local driving force generally describes the observations; possible reasons for the remaining discrepancies are discussed. It is shown that a model in which the driving force is reduced to accomodate the hysteresis effect inferred from the data is able to remove most of the discrepancy between the observed and predicted velocities.
Electron temperature critical gradient and transport stiffness in DIII-D
Smith, Sterling P.; Petty, Clinton C.; White, Anne E.; ...
2015-07-06
The electron energy flux has been probed as a function of electron temperature gradient on the DIII-D tokamak, in a continuing effort to validate turbulent transport models. In the scan of gradient, a critical electron temperature gradient has been found in the electron heat fluxes and stiffness at various radii in L-mode plasmas. The TGLF reduced turbulent transport model [G.M. Staebler et al, Phys. Plasmas 14, 055909 (2007)] and full gyrokinetic GYRO model [J. Candy and R.E. Waltz, J. Comput. Phys. 186, 545 (2003)] recover the general trend of increasing electron energy flux with increasing electron temperature gradient scale length,more » but they do not predict the absolute level of transport at all radii and gradients. Comparing the experimental observations of incremental (heat pulse) diffusivity and stiffness to the models’ reveals that TGLF reproduces the trends in increasing diffusivity and stiffness with increasing electron temperature gradient scale length with a critical gradient behavior. Furthermore, the critical gradient of TGLF is found to have a dependence on q 95, contrary to the independence of the experimental critical gradient from q 95.« less
Instabilities in mimetic matter perturbations
NASA Astrophysics Data System (ADS)
Firouzjahi, Hassan; Gorji, Mohammad Ali; Mansoori, Seyed Ali Hosseini
2017-07-01
We study cosmological perturbations in mimetic matter scenario with a general higher derivative function. We calculate the quadratic action and show that both the kinetic term and the gradient term have the wrong sings. We perform the analysis in both comoving and Newtonian gauges and confirm that the Hamiltonians and the associated instabilities are consistent with each other in both gauges. The existence of instabilities is independent of the specific form of higher derivative function which generates gradients for mimetic field perturbations. It is verified that the ghost instability in mimetic perturbations is not associated with the higher derivative instabilities such as the Ostrogradsky ghost.
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.
Optimizing Motion Planning for Hyper Dynamic Manipulator
NASA Astrophysics Data System (ADS)
Aboura, Souhila; Omari, Abdelhafid; Meguenni, Kadda Zemalache
2012-01-01
This paper investigates the optimal motion planning for an hyper dynamic manipulator. As case study, we consider a golf swing robot which is consisting with two actuated joint and a mechanical stoppers. Genetic Algorithm (GA) technique is proposed to solve the optimal golf swing motion which is generated by Fourier series approximation. The objective function for GA approach is to minimizing the intermediate and final state, minimizing the robot's energy consummation and maximizing the robot's speed. Obtained simulation results show the effectiveness of the proposed scheme.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bozkaya, Uğur, E-mail: ugur.bozkaya@atauni.edu.tr
General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller–Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele,more » Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.« less
The q-G method : A q-version of the Steepest Descent method for global optimization.
Soterroni, Aline C; Galski, Roberto L; Scarabello, Marluce C; Ramos, Fernando M
2015-01-01
In this work, the q-Gradient (q-G) method, a q-version of the Steepest Descent method, is presented. The main idea behind the q-G method is the use of the negative of the q-gradient vector of the objective function as the search direction. The q-gradient vector, or simply the q-gradient, is a generalization of the classical gradient vector based on the concept of Jackson's derivative from the q-calculus. Its use provides the algorithm an effective mechanism for escaping from local minima. The q-G method reduces to the Steepest Descent method when the parameter q tends to 1. The algorithm has three free parameters and it is implemented so that the search process gradually shifts from global exploration in the beginning to local exploitation in the end. We evaluated the q-G method on 34 test functions, and compared its performance with 34 optimization algorithms, including derivative-free algorithms and the Steepest Descent method. Our results show that the q-G method is competitive and has a great potential for solving multimodal optimization problems.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yu, Haoyu S.; Zhang, Wenjing; Verma, Pragya
2015-01-01
The goal of this work is to develop a gradient approximation to the exchange–correlation functional of Kohn–Sham density functional theory for treating molecular problems with a special emphasis on the prediction of quantities important for homogeneous catalysis and other molecular energetics. Our training and validation of exchange–correlation functionals is organized in terms of databases and subdatabases. The key properties required for homogeneous catalysis are main group bond energies (database MGBE137), transition metal bond energies (database TMBE32), reaction barrier heights (database BH76), and molecular structures (database MS10). We also consider 26 other databases, most of which are subdatabases of a newlymore » extended broad database called Database 2015, which is presented in the present article and in its ESI. Based on the mathematical form of a nonseparable gradient approximation (NGA), as first employed in the N12 functional, we design a new functional by using Database 2015 and by adding smoothness constraints to the optimization of the functional. The resulting functional is called the gradient approximation for molecules, or GAM. The GAM functional gives better results for MGBE137, TMBE32, and BH76 than any available generalized gradient approximation (GGA) or than N12. The GAM functional also gives reasonable results for MS10 with an MUE of 0.018 Å. The GAM functional provides good results both within the training sets and outside the training sets. The convergence tests and the smooth curves of exchange–correlation enhancement factor as a function of the reduced density gradient show that the GAM functional is a smooth functional that should not lead to extra expense or instability in optimizations. NGAs, like GGAs, have the advantage over meta-GGAs and hybrid GGAs of respectively smaller grid-size requirements for integrations and lower costs for extended systems. These computational advantages combined with the relatively high accuracy for all the key properties needed for molecular catalysis make the GAM functional very promising for future applications.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Golub, R.; Rohm, Ryan M.; Swank, C. M.
2011-02-15
There is an extensive literature on magnetic-gradient-induced spin relaxation. Cates, Schaefer, and Happer, in a seminal publication, have solved the problem in the regime where diffusion theory (the Torrey equation) is applicable using an expansion of the density matrix in diffusion equation eigenfunctions and angular momentum tensors. McGregor has solved the problem in the same regime using a slightly more general formulation using the Redfield theory formulated in terms of the autocorrelation function of the fluctuating field seen by the spins and calculating the correlation functions using the diffusion-theory Green's function. The results of both calculations were shown to agreemore » for a special case. In the present work, we show that the eigenfunction expansion of the Torrey equation yields the expansion of the Green's function for the diffusion equation, thus showing the identity of this approach with that of the Redfield theory. The general solution can also be obtained directly from the Torrey equation for the density matrix. Thus, the physical content of the Redfield and Torrey approaches are identical. We then introduce a more general expression for the position autocorrelation function of particles moving in a closed cell, extending the range of applicability of the theory.« less
Man-induced channel adjustment in Tennessee streams
Robbins, C.H.; Simon, Andrew
1983-01-01
Channel modifications in Tennessee, particularly in the western part, have led to large-scale instabilities in the channelized rivers and may have contributed to several bridge failures. These modifications, together with land-use practices, led to downcutting, headward erosion, downstream aggradation, accelerated scour, and bank instabilities. Changes in gradient by channel straightening caused more severe channel response than did dredging or clearing. Large-scale changes continue to occur in all the channelized rivers: the Obion River, its forks, and the South Fork Forked Deer River. However, the non-channelized Hatchie River in west Tennessee not only withstood the natural stresses imposed by the wet years of 1973 to 1975 but continues to exhibit characteristics of stability. Water-surface slope, the primary dependent variable, proved to be a sensitive and descriptive parameter useful in determining channel adjustment. Adjustments to man-induced increases in channel-slope are described by inverse exponential functions of the basic form S=ae(-b(t)); where ' S ' is some function describing channel-slope, ' t ' is the number of years since completion of channel work, and ' a ' and ' b ' are coefficients. Response times for the attainment of ' equilibrium ' channel slopes are a function of the magnitude and extent of the imposed modifications. The adjusted profile gradients attained by the streams following channelization are similar to the predisturbed profile gradients, where no alteration to channel length was made. Where the channels were straightened by constructing cut-offs, thus shortening channel length, then slope adjustments (reduction) proceed past the predisturbed profile gradients, to new profiles with lower gradients. (USGS)
Moaddab, Mahsa; Mangone, Elizabeth; McDannald, Michael A.
2017-01-01
Adolescent alcohol drinking increases the risk for alcohol-use disorder in adulthood. Yet, the changes in adult neural function resulting from adolescent alcohol drinking remain poorly understood. We hypothesized that adolescent alcohol drinking alters basolateral amygdala (BLA) function, making alcohol drinking BLA-dependent in adulthood. Male, Long Evans rats were given voluntary, intermittent access to alcohol (20% ethanol) or a bitter, isocaloric control solution, across adolescence. Half of the rats in each group received neurotoxic BLA lesions. In adulthood, all rats were given voluntary, intermittent access to alcohol. BLA lesions reduced adult alcohol drinking in rats receiving adolescent access to alcohol, but not in rats receiving adolescent access to the control solution. The effect of the BLA lesion was most apparent in high alcohol drinking adolescent rats. The BLA is essential for fear learning and is hyper-active in anxiety disorders. The results are consistent with adolescent heavy alcohol drinking inducing BLA hyper-activity, providing a neural mechanism for comorbid alcohol use disorder and anxiety disorders. PMID:29135933
Parallel, Gradient-Based Anisotropic Mesh Adaptation for Re-entry Vehicle Configurations
NASA Technical Reports Server (NTRS)
Bibb, Karen L.; Gnoffo, Peter A.; Park, Michael A.; Jones, William T.
2006-01-01
Two gradient-based adaptation methodologies have been implemented into the Fun3d refine GridEx infrastructure. A spring-analogy adaptation which provides for nodal movement to cluster mesh nodes in the vicinity of strong shocks has been extended for general use within Fun3d, and is demonstrated for a 70 sphere cone at Mach 2. A more general feature-based adaptation metric has been developed for use with the adaptation mechanics available in Fun3d, and is applicable to any unstructured, tetrahedral, flow solver. The basic functionality of general adaptation is explored through a case of flow over the forebody of a 70 sphere cone at Mach 6. A practical application of Mach 10 flow over an Apollo capsule, computed with the Felisa flow solver, is given to compare the adaptive mesh refinement with uniform mesh refinement. The examples of the paper demonstrate that the gradient-based adaptation capability as implemented can give an improvement in solution quality.
Stacking dependence of carrier transport properties in multilayered black phosphorous
NASA Astrophysics Data System (ADS)
Sengupta, A.; Audiffred, M.; Heine, T.; Niehaus, T. A.
2016-02-01
We present the effect of different stacking orders on carrier transport properties of multi-layer black phosphorous. We consider three different stacking orders AAA, ABA and ACA, with increasing number of layers (from 2 to 6 layers). We employ a hierarchical approach in density functional theory (DFT), with structural simulations performed with generalized gradient approximation (GGA) and the bandstructure, carrier effective masses and optical properties evaluated with the meta-generalized gradient approximation (MGGA). The carrier transmission in the various black phosphorous sheets was carried out with the non-equilibrium green’s function (NEGF) approach. The results show that ACA stacking has the highest electron and hole transmission probabilities. The results show tunability for a wide range of band-gaps, carrier effective masses and transmission with a great promise for lattice engineering (stacking order and layers) in black phosphorous.
NASA Astrophysics Data System (ADS)
Synovec, Robert E.; Renn, Curtiss N.
1991-07-01
The refractive index gradient (RIG) of hydrodynamically controlled profiles can be universally, yet sensitively, measured by carefully probing the radial RIG passing through a z-configuration flow cell. Fiber optic technology is applied in order to provide a narrow, collimated probe beam (100 micrometers diameter) that is deflected by a RIG and measured by a position sensitive detector. The fiber optic construction allows one to probe very small volumes (1 (mu) L to 3 (mu) L) amenable to microbore liquid chromatography ((mu) LC). The combination of (mu) LC and RIG detection is very useful for the analysis of trace quantities (ng injected amounts) of chemical species that are generally difficult to measure, i.e., species that are not amenable to absorbance detection or related techniques. Furthermore, the RIG detector is compatible with conventional mobile phase gradient and thermal gradient (mu) LC, unlike traditional RI detectors. A description of the RIG detector coupled with (mu) LC for the analysis of complex polymer samples is reported. Also, exploration into using the RIG detector for supercritical fluid chromatography is addressed.
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
Chung, Jongsuk; Son, Dae-Soon; Jeon, Hyo-Jeong; Kim, Kyoung-Mee; Park, Gahee; Ryu, Gyu Ha; Park, Woong-Yang; Park, Donghyun
2016-01-01
Targeted capture massively parallel sequencing is increasingly being used in clinical settings, and as costs continue to decline, use of this technology may become routine in health care. However, a limited amount of tissue has often been a challenge in meeting quality requirements. To offer a practical guideline for the minimum amount of input DNA for targeted sequencing, we optimized and evaluated the performance of targeted sequencing depending on the input DNA amount. First, using various amounts of input DNA, we compared commercially available library construction kits and selected Agilent’s SureSelect-XT and KAPA Biosystems’ Hyper Prep kits as the kits most compatible with targeted deep sequencing using Agilent’s SureSelect custom capture. Then, we optimized the adapter ligation conditions of the Hyper Prep kit to improve library construction efficiency and adapted multiplexed hybrid selection to reduce the cost of sequencing. In this study, we systematically evaluated the performance of the optimized protocol depending on the amount of input DNA, ranging from 6.25 to 200 ng, suggesting the minimal input DNA amounts based on coverage depths required for specific applications. PMID:27220682
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hirano, Shin'ichi; Nishi, Sakine; Kobayashi, Tsutomu, E-mail: s.hirano@rikkyo.ac.jp, E-mail: sakine@rikkyo.ac.jp, E-mail: tsutomu@rikkyo.ac.jp
We study the stability of a recently proposed model of scalar-field matter called mimetic dark matter or imperfect dark matter. It has been known that mimetic matter with higher derivative terms suffers from gradient instabilities in scalar perturbations. To seek for an instability-free extension of imperfect dark matter, we develop an effective theory of cosmological perturbations subject to the constraint on the scalar field's kinetic term. This is done by using the unifying framework of general scalar-tensor theories based on the ADM formalism. We demonstrate that it is indeed possible to construct a model of imperfect dark matter which ismore » free from ghost and gradient instabilities. As a side remark, we also show that mimetic F (R) theory is plagued with the Ostrogradsky instability.« less
NASA Technical Reports Server (NTRS)
Parrott, Tony L.; Zorumski, William E.; Rawls, John W., Jr.
1990-01-01
The feasibility is discussed for an experimental program for studying the behavior of acoustic wave propagation in the presence of strong gradients of pressure, temperature, and flow. Theory suggests that gradients effects can be experimentally observed as resonant frequency shifts and mode shape changes in a waveguide. A convenient experimental geometry for such experiments is the annular region between two co-rotating cylinders. Radial temperature gradients in a spinning annulus can be generated by differentially heating the two cylinders via electromagnetic induction. Radial pressure gradients can be controlled by varying the cylinder spin rates. Present technology appears adequate to construct an apparatus to allow independent control of temperature and pressure gradients. A complicating feature of a more advanced experiment, involving flow gradients, is the requirement for independently controlled cylinder spin rates. Also, the boundary condition at annulus terminations must be such that flow gradients are minimally disturbed. The design and construction of an advanced apparatus to include flow gradients will require additional technology development.
Ciezak, Jennifer A; Trevino, S F
2006-04-20
Solid-state geometry optimizations and corresponding normal-mode analysis of the widely used energetic material cyclotrimethylenetrinitramine (RDX) were performed using density functional theory with both the generalized gradient approximation (BLYP and BP functionals) and the local density approximation (PWC and VWN functionals). The structural results were found to be in good agreement with experimental neutron diffraction data and previously reported calculations based on the isolated-molecule approximation. The vibrational inelastic neutron scattering (INS) spectrum of polycrystalline RDX was measured and compared with simulated INS constructed from the solid-state calculations. The vibrational frequencies calculated from the solid-state methods had average deviations of 10 cm(-1) or less, whereas previously published frequencies based on an isolated-molecule approximation had deviations of 65 cm(-1) or less, illustrating the importance of including crystalline forces. On the basis of the calculations and analysis, it was possible to assign the normal modes and symmetries, which agree well with previous assignments. Four possible "doorway modes" were found in the energy range defined by the lattice modes, which were all found to contain fundamental contributions from rotation of the nitro groups.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pederson, Mark R.; Baruah, Tunna; Basurto, Luis
We have applied a recently developed method to incorporate the self-interaction correction through Fermi orbitals to Mg-porphyrin, C{sub 60}, and pentacene molecules. The Fermi-Löwdin orbitals are localized and unitarily invariant to the Kohn-Sham orbitals from which they are constructed. The self-interaction-corrected energy is obtained variationally leading to an optimum set of Fermi-Löwdin orbitals (orthonormalized Fermi orbitals) that gives the minimum energy. A Fermi orbital, by definition, is dependent on a certain point which is referred to as the descriptor position. The degree to which the initial choice of descriptor positions influences the variational approach to the minimum and the complexitymore » of the energy landscape as a function of Fermi-orbital descriptors is examined in detail for Mg-porphyrin. The applications presented here also demonstrate that the method can be applied to larger molecular systems containing a few hundred electrons. The atomization energy of the C{sub 60} molecule within the Fermi-Löwdin-orbital self-interaction-correction approach is significantly improved compared to local density approximation in the Perdew-Wang 92 functional and generalized gradient approximation of Perdew-Burke-Ernzerhof functionals. The eigenvalues of the highest occupied molecular orbitals show qualitative improvement.« less
Self-interaction corrections applied to Mg-porphyrin, C60, and pentacene molecules
NASA Astrophysics Data System (ADS)
Pederson, Mark R.; Baruah, Tunna; Kao, Der-you; Basurto, Luis
2016-04-01
We have applied a recently developed method to incorporate the self-interaction correction through Fermi orbitals to Mg-porphyrin, C60, and pentacene molecules. The Fermi-Löwdin orbitals are localized and unitarily invariant to the Kohn-Sham orbitals from which they are constructed. The self-interaction-corrected energy is obtained variationally leading to an optimum set of Fermi-Löwdin orbitals (orthonormalized Fermi orbitals) that gives the minimum energy. A Fermi orbital, by definition, is dependent on a certain point which is referred to as the descriptor position. The degree to which the initial choice of descriptor positions influences the variational approach to the minimum and the complexity of the energy landscape as a function of Fermi-orbital descriptors is examined in detail for Mg-porphyrin. The applications presented here also demonstrate that the method can be applied to larger molecular systems containing a few hundred electrons. The atomization energy of the C60 molecule within the Fermi-Löwdin-orbital self-interaction-correction approach is significantly improved compared to local density approximation in the Perdew-Wang 92 functional and generalized gradient approximation of Perdew-Burke-Ernzerhof functionals. The eigenvalues of the highest occupied molecular orbitals show qualitative improvement.
NASA Astrophysics Data System (ADS)
Dima, R. S.; Maluta, N. E.; Maphanga, R. R.; Sankaran, V.
2017-10-01
Titanium dioxide (TiO2) polymorphs are widely used in many energy-related applications due to their peculiar electronic and physicochemical properties. The electronic structures of brookite TiO2 surfaces doped with transition metal ruthenium have been investigated by ab initio band calculations based on the density functional theory with the planewave ultrasoft pseudopotential method. The generalized gradient approximation (GGA) was used in the scheme of Perdew-Burke-Ernzerhof (PBE) to describe the exchange-correlation functional. All calculations were carried out with CASTEP (Cambridge Sequential Total EnergyPackage) code in Materials Studio of Accelrys Inc. The surface structures of Ru doped TiO2 were constructed by cleaving the 1 × 1 × 1 optimized bulk structure of brookite TiO2. The results indicate that Ru doping can narrow the band gap of TiO2, leading to the improvement in the photoreactivity of TiO2, and simultaneously maintain strong redox potential. The theoretical calculations could provide meaningful guide to develop more active photocatalysts with visible light response.
Discrete conservation properties for shallow water flows using mixed mimetic spectral elements
NASA Astrophysics Data System (ADS)
Lee, D.; Palha, A.; Gerritsma, M.
2018-03-01
A mixed mimetic spectral element method is applied to solve the rotating shallow water equations. The mixed method uses the recently developed spectral element histopolation functions, which exactly satisfy the fundamental theorem of calculus with respect to the standard Lagrange basis functions in one dimension. These are used to construct tensor product solution spaces which satisfy the generalized Stokes theorem, as well as the annihilation of the gradient operator by the curl and the curl by the divergence. This allows for the exact conservation of first order moments (mass, vorticity), as well as higher moments (energy, potential enstrophy), subject to the truncation error of the time stepping scheme. The continuity equation is solved in the strong form, such that mass conservation holds point wise, while the momentum equation is solved in the weak form such that vorticity is globally conserved. While mass, vorticity and energy conservation hold for any quadrature rule, potential enstrophy conservation is dependent on exact spatial integration. The method possesses a weak form statement of geostrophic balance due to the compatible nature of the solution spaces and arbitrarily high order spatial error convergence.
Gibbsian Stationary Non-equilibrium States
NASA Astrophysics Data System (ADS)
De Carlo, Leonardo; Gabrielli, Davide
2017-09-01
We study the structure of stationary non-equilibrium states for interacting particle systems from a microscopic viewpoint. In particular we discuss two different discrete geometric constructions. We apply both of them to determine non reversible transition rates corresponding to a fixed invariant measure. The first one uses the equivalence of this problem with the construction of divergence free flows on the transition graph. Since divergence free flows are characterized by cyclic decompositions we can generate families of models from elementary cycles on the configuration space. The second construction is a functional discrete Hodge decomposition for translational covariant discrete vector fields. According to this, for example, the instantaneous current of any interacting particle system on a finite torus can be canonically decomposed in a gradient part, a circulation term and an harmonic component. All the three components are associated with functions on the configuration space. This decomposition is unique and constructive. The stationary condition can be interpreted as an orthogonality condition with respect to an harmonic discrete vector field and we use this decomposition to construct models having a fixed invariant measure.
The Wavelet Element Method. Part 2; Realization and Additional Features in 2D and 3D
NASA Technical Reports Server (NTRS)
Canuto, Claudio; Tabacco, Anita; Urban, Karsten
1998-01-01
The Wavelet Element Method (WEM) provides a construction of multiresolution systems and biorthogonal wavelets on fairly general domains. These are split into subdomains that are mapped to a single reference hypercube. Tensor products of scaling functions and wavelets defined on the unit interval are used on the reference domain. By introducing appropriate matching conditions across the interelement boundaries, a globally continuous biorthogonal wavelet basis on the general domain is obtained. This construction does not uniquely define the basis functions but rather leaves some freedom for fulfilling additional features. In this paper we detail the general construction principle of the WEM to the 1D, 2D and 3D cases. We address additional features such as symmetry, vanishing moments and minimal support of the wavelet functions in each particular dimension. The construction is illustrated by using biorthogonal spline wavelets on the interval.
Bircher, Martin P; Rothlisberger, Ursula
2018-06-12
Linear-response time-dependent density functional theory (LR-TD-DFT) has become a valuable tool in the calculation of excited states of molecules of various sizes. However, standard generalized-gradient approximation and hybrid exchange-correlation (xc) functionals often fail to correctly predict charge-transfer (CT) excitations with low orbital overlap, thus limiting the scope of the method. The Coulomb-attenuation method (CAM) in the form of the CAM-B3LYP functional has been shown to reliably remedy this problem in many CT systems, making accurate predictions possible. However, in spite of a rather consistent performance across different orbital overlap regimes, some pitfalls remain. Here, we present a fully flexible and adaptable implementation of the CAM for Γ-point calculations within the plane-wave pseudopotential molecular dynamics package CPMD and explore how customized xc functionals can improve the optical spectra of some notorious cases. We find that results obtained using plane waves agree well with those from all-electron calculations employing atom-centered bases, and that it is possible to construct a new Coulomb-attenuated xc functional based on simple considerations. We show that such a functional is able to outperform CAM-B3LYP in some cases, while retaining similar accuracy in systems where CAM-B3LYP performs well.
Stability of gradient semigroups under perturbations
NASA Astrophysics Data System (ADS)
Aragão-Costa, E. R.; Caraballo, T.; Carvalho, A. N.; Langa, J. A.
2011-07-01
In this paper we prove that gradient-like semigroups (in the sense of Carvalho and Langa (2009 J. Diff. Eqns 246 2646-68)) are gradient semigroups (possess a Lyapunov function). This is primarily done to provide conditions under which gradient semigroups, in a general metric space, are stable under perturbation exploiting the known fact (see Carvalho and Langa (2009 J. Diff. Eqns 246 2646-68)) that gradient-like semigroups are stable under perturbation. The results presented here were motivated by the work carried out in Conley (1978 Isolated Invariant Sets and the Morse Index (CBMS Regional Conference Series in Mathematics vol 38) (RI: American Mathematical Society Providence)) for groups in compact metric spaces (see also Rybakowski (1987 The Homotopy Index and Partial Differential Equations (Universitext) (Berlin: Springer)) for the Morse decomposition of an invariant set for a semigroup on a compact metric space).
Speed and convergence properties of gradient algorithms for optimization of IMRT.
Zhang, Xiaodong; Liu, Helen; Wang, Xiaochun; Dong, Lei; Wu, Qiuwen; Mohan, Radhe
2004-05-01
Gradient algorithms are the most commonly employed search methods in the routine optimization of IMRT plans. It is well known that local minima can exist for dose-volume-based and biology-based objective functions. The purpose of this paper is to compare the relative speed of different gradient algorithms, to investigate the strategies for accelerating the optimization process, to assess the validity of these strategies, and to study the convergence properties of these algorithms for dose-volume and biological objective functions. With these aims in mind, we implemented Newton's, conjugate gradient (CG), and the steepest decent (SD) algorithms for dose-volume- and EUD-based objective functions. Our implementation of Newton's algorithm approximates the second derivative matrix (Hessian) by its diagonal. The standard SD algorithm and the CG algorithm with "line minimization" were also implemented. In addition, we investigated the use of a variation of the CG algorithm, called the "scaled conjugate gradient" (SCG) algorithm. To accelerate the optimization process, we investigated the validity of the use of a "hybrid optimization" strategy, in which approximations to calculated dose distributions are used during most of the iterations. Published studies have indicated that getting trapped in local minima is not a significant problem. To investigate this issue further, we first obtained, by trial and error, and starting with uniform intensity distributions, the parameters of the dose-volume- or EUD-based objective functions which produced IMRT plans that satisfied the clinical requirements. Using the resulting optimized intensity distributions as the initial guess, we investigated the possibility of getting trapped in a local minimum. For most of the results presented, we used a lung cancer case. To illustrate the generality of our methods, the results for a prostate case are also presented. For both dose-volume and EUD based objective functions, Newton's method far outperforms other algorithms in terms of speed. The SCG algorithm, which avoids expensive "line minimization," can speed up the standard CG algorithm by at least a factor of 2. For the same initial conditions, all algorithms converge essentially to the same plan. However, we demonstrate that for any of the algorithms studied, starting with previously optimized intensity distributions as the initial guess but for different objective function parameters, the solution frequently gets trapped in local minima. We found that the initial intensity distribution obtained from IMRT optimization utilizing objective function parameters, which favor a specific anatomic structure, would lead to a local minimum corresponding to that structure. Our results indicate that from among the gradient algorithms tested, Newton's method appears to be the fastest by far. Different gradient algorithms have the same convergence properties for dose-volume- and EUD-based objective functions. The hybrid dose calculation strategy is valid and can significantly accelerate the optimization process. The degree of acceleration achieved depends on the type of optimization problem being addressed (e.g., IMRT optimization, intensity modulated beam configuration optimization, or objective function parameter optimization). Under special conditions, gradient algorithms will get trapped in local minima, and reoptimization, starting with the results of previous optimization, will lead to solutions that are generally not significantly different from the local minimum.
Lino, Caroline A; Shibata, Caroline E R; Barreto-Chaves, Maria Luiza M
2014-03-01
Changes in perinatal environment can lead to physiological, morphological, or metabolic alterations in adult life. It is well known that thyroid hormones (TH) are critical for the development, growth, and maturation of organs and systems. In addition, TH interact with the renin-angiotensin system (RAS), and both play a critical role in adult cardiovascular function. The objective of this study was to evaluate the effect of maternal hyperthyroidism on cardiac RAS components in pups during development. From gestational day nine (GD9), pregnant Wistar rats received thyroxine (T4, 12 mg/l in tap water; Hyper group) or vehicle (control group). Dams and pups were killed on GD18 and GD20. Serum concentrations of triiodothyronine (T3) and T4 were higher in the Hyper group than in the control group dams. Cardiac hypertrophy was observed in Hyper pups on GD20. Cardiac angiotensin-converting enzyme (ACE) activity was significantly lower in Hyper pups on both GD18 and GD20, but there was no difference in Ang I/Ang II levels. Ang II receptors expression was higher in the Hyper pup heart on GD18. Maternal hyperthyroidism is associated with alterations in fetal development and altered pattern of expression in RAS components, which in addition to cardiac hypertrophy observed on GD20 may represent an important predisposing factor to cardiovascular diseases in adult life.
On the physical origins of interaction-induced vibrational (hyper)polarizabilities.
Zaleśny, Robert; Garcia-Borràs, Marc; Góra, Robert W; Medved', Miroslav; Luis, Josep M
2016-08-10
This paper presents the results of a pioneering exploration of the physical origins of vibrational contributions to the interaction-induced electric properties of molecular complexes. In order to analyze the excess nuclear relaxation (hyper)polarizabilities, a new scheme was proposed which relies on the computationally efficient Bishop-Hasan-Kirtman method for determining the nuclear relaxation contributions to electric properties. The extension presented herein is general and can be used with any interaction-energy partitioning method. As an example, in this study we employed the variational-perturbational interaction-energy decomposition scheme (at the MP2/aug-cc-pVQZ level) and the extended transition state method by employing three exchange-correlation functionals (BLYP, LC-BLYP, and LC-BLYP-dDsC) to study the excess properties of the HCN dimer. It was observed that the first-order electrostatic contribution to the excess nuclear relaxation polarizability cancels with the negative exchange repulsion term out to a large extent, resulting in a positive value of Δα(nr) due to the contributions from the delocalization and the dispersion terms. In the case of the excess nuclear relaxation first hyperpolarizability, the pattern of interaction contributions is very similar to that for Δα(nr), both in terms of their sign as well as relative magnitude. Finally, our results show that the LC-BLYP and LC-BLYP-dDsC functionals, which yield smaller values of the orbital relaxation term than BLYP, are more successful in predicting excess properties.
Hatada, Yuji; Mizuno, Masahiro; Li, Zhijun; Ohta, Yukari
2011-06-01
A gene of unknown function from the genome of the agar-degrading deep-sea bacterium Microbulbifer thermotolerans JAMB-A94(T) was functionally identified as a ι-carrageenase gene. This gene, designated as cgiA, is located together with two β-agarase genes, agaA and agaO in a cluster. The cgiA gene product is 569 amino acids and shares 29% identity over 185 amino acids with the ι-carrageenase from Zobellia galactanivorans Dsij DSM 12802. Recombinant, cgiA-encoded ι-carrageenase (55 kDa) was hyper-produced in Bacillus subtilis. The recombinant enzyme shows maximal activity at 50°C, the highest reported optimal temperature for a carrageenase. It cleaved β-1,4 linkages in ι-carrageenan to produce a high ratio of ι-carrageenan tetramer, more than 75% of the total product, and did not cleave the β-1,4 linkages in κ- or λ-carrageenan. Therefore, this enzyme may be useful for industrial production of ι-carrageenan oligosaccharides, which have demonstrated antiviral potential against diverse viruses. Furthermore, we performed site-directed mutagenesis on the gene to identify the catalytic amino acid residues. We demonstrated that a conserved Glu351 was essential for catalysis; however, this enzyme lacked a catalytic Asp residue, which is generally critical for the catalytic activity of most glycoside hydrolases.
Embedded WENO: A design strategy to improve existing WENO schemes
NASA Astrophysics Data System (ADS)
van Lith, Bart S.; ten Thije Boonkkamp, Jan H. M.; IJzerman, Wilbert L.
2017-02-01
Embedded WENO methods utilise all adjacent smooth substencils to construct a desirable interpolation. Conventional WENO schemes under-use this possibility close to large gradients or discontinuities. We develop a general approach for constructing embedded versions of existing WENO schemes. Embedded methods based on the WENO schemes of Jiang and Shu [1] and on the WENO-Z scheme of Borges et al. [2] are explicitly constructed. Several possible choices are presented that result in either better spectral properties or a higher order of convergence for sufficiently smooth solutions. However, these improvements carry over to discontinuous solutions. The embedded methods are demonstrated to be indeed improvements over their standard counterparts by several numerical examples. All the embedded methods presented have no added computational effort compared to their standard counterparts.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dahms, Rainer N.
2014-12-31
The fidelity of Gradient Theory simulations depends on the accuracy of saturation properties and influence parameters, and require equations of state (EoS) which exhibit a fundamentally consistent behavior in the two-phase regime. Widely applied multi-parameter EoS, however, are generally invalid inside this region. Hence, they may not be fully suitable for application in concert with Gradient Theory despite their ability to accurately predict saturation properties. The commonly assumed temperature-dependence of pure component influence parameters usually restricts their validity to subcritical temperature regimes. This may distort predictions for general multi-component interfaces where temperatures often exceed the critical temperature of vapor phasemore » components. Then, the calculation of influence parameters is not well defined. In this paper, one of the first studies is presented in which Gradient Theory is combined with a next-generation Helmholtz energy EoS which facilitates fundamentally consistent calculations over the entire two-phase regime. Illustrated on pentafluoroethane as an example, reference simulations using this method are performed. They demonstrate the significance of such high-accuracy and fundamentally consistent calculations for the computation of interfacial properties. These reference simulations are compared to corresponding results from cubic PR EoS, widely-applied in combination with Gradient Theory, and mBWR EoS. The analysis reveals that neither of those two methods succeeds to consistently capture the qualitative distribution of obtained key thermodynamic properties in Gradient Theory. Furthermore, a generalized expression of the pure component influence parameter is presented. This development is informed by its fundamental definition based on the direct correlation function of the homogeneous fluid and by presented high-fidelity simulations of interfacial density profiles. As a result, the new model preserves the accuracy of previous temperature-dependent expressions, remains well-defined at supercritical temperatures, and is fully suitable for calculations of general multi-component two-phase interfaces.« less
Image Motion Detection And Estimation: The Modified Spatio-Temporal Gradient Scheme
NASA Astrophysics Data System (ADS)
Hsin, Cheng-Ho; Inigo, Rafael M.
1990-03-01
The detection and estimation of motion are generally involved in computing a velocity field of time-varying images. A completely new modified spatio-temporal gradient scheme to determine motion is proposed. This is derived by using gradient methods and properties of biological vision. A set of general constraints is proposed to derive motion constraint equations. The constraints are that the second directional derivatives of image intensity at an edge point in the smoothed image will be constant at times t and t+L . This scheme basically has two stages: spatio-temporal filtering, and velocity estimation. Initially, image sequences are processed by a set of oriented spatio-temporal filters which are designed using a Gaussian derivative model. The velocity is then estimated for these filtered image sequences based on the gradient approach. From a computational stand point, this scheme offers at least three advantages over current methods. The greatest advantage of the modified spatio-temporal gradient scheme over the traditional ones is that an infinite number of motion constraint equations are derived instead of only one. Therefore, it solves the aperture problem without requiring any additional assumptions and is simply a local process. The second advantage is that because of the spatio-temporal filtering, the direct computation of image gradients (discrete derivatives) is avoided. Therefore the error in gradients measurement is reduced significantly. The third advantage is that during the processing of motion detection and estimation algorithm, image features (edges) are produced concurrently with motion information. The reliable range of detected velocity is determined by parameters of the oriented spatio-temporal filters. Knowing the velocity sensitivity of a single motion detection channel, a multiple-channel mechanism for estimating image velocity, seldom addressed by other motion schemes in machine vision, can be constructed by appropriately choosing and combining different sets of parameters. By applying this mechanism, a great range of velocity can be detected. The scheme has been tested for both synthetic and real images. The results of simulations are very satisfactory.
Pan, Ling-Yun; Pan, Gen-Cai; Zhang, Yong-Lai; Gao, Bing-Rong; Dai, Zhen-Wen
2013-02-01
As the priority of interconnects and active components in nanoscale optical and electronic devices, three-dimensional hyper-branched nanostructures came into focus of research. Recently, a novel crystallization route, named as "nonclassical crystallization," has been reported for three-dimensional nanostructuring. In this process, Quantum dots are used as building blocks for the construction of the whole hyper-branched structures instead of ions or single-molecules in conventional crystallization. The specialty of these nanostructures is the inheritability of pristine quantum dots' physical integrity because of their polycrystalline structures, such as quantum confinement effect and thus the luminescence. Moreover, since a longer diffusion length could exist in polycrystalline nanostructures due to the dramatically decreased distance between pristine quantum dots, the exciton-exciton interaction would be different with well dispersed quantum dots and single crystal nanostructures. This may be a benefit for electron transport in solar cell application. Therefore, it is very necessary to investigate the exciton-exciton interaction in such kind of polycrystalline nanostructures and their optical properites for solar cell application. In this research, we report a novel CdTe hyper-branched nanostructures based on self-assembly of CdTe quantum dots. Each branch shows polycrystalline with pristine quantum dots as the building units. Both steady state and time-resolved spectroscopy were performed to investigate the properties of carrier transport. Steady state optical properties of pristine quantum dots are well inherited by formed structures. While a suppressed multi-exciton recombination rate was observed. This result supports the percolation of carriers through the branches' network.
NASA Astrophysics Data System (ADS)
Hou, Yong; Fu, Yongsheng; Bredow, Richard; Kang, Dongdong; Redmer, Ronald; Yuan, Jianmin
2017-03-01
The average-atom model combined with the hyper-netted chain approximation is an efficient tool for electronic and ionic structure calculations for warm dense matter. Here we generalize this method in order to describe non-equilibrium states with different electron and ion temperature as produced in laser-matter interactions on ultra-short time scales. In particular, the electron-ion and ion-ion correlation effects are considered when calculating the electron structure. We derive an effective ion-ion pair-potential using the electron densities in the framework of temperature-depended density functional theory. Using this ion-ion potential we perform molecular dynamics simulations in order to determine the ionic transport properties such as the ionic diffusion coefficient and the shear viscosity through the ionic velocity autocorrelation functions.
NASA Astrophysics Data System (ADS)
Strack, O. D. L.
2009-01-01
We present in this paper a new method for deriving discharge potentials for groundwater flow. Discharge potentials are two-dimensional functions; the discharge potential to be presented represents steady groundwater flow with an elliptical pond of constant rate of extraction or infiltration. The method relies on Wirtinger calculus. We demonstrate that it is possible, in principle, to construct a holomorphic function Ω(z), defined so as to produce the same gradient vector in two dimensions as that obtained from an arbitrary function F(x, y) along any Jordan curve ?. We will call Ω(z) the holomorphic match of F(x, y) along ?. Let the line ? be a closed contour bounding a domain ?, and let F(x, y) be defined in ? and represent the discharge potential for some case of divergent groundwater flow. Holomorphic matching makes it possible to create a function Ω(z), valid outside ?, such that ?Ω equals F(x, y) and the gradient of ?Ω equals that of F(x, y) along ?. (Note that the technique applies also if ? is the domain outside ?.) We can use this technique to construct solutions for cases of flow where there is nonzero divergence (due to infiltration or leakage, for example) in ? but zero divergence outside ?. The special case that the divergence within ? is constant and is zero outside ? is chosen to illustrate the approach and to obtain a solution that, to the knowledge of the author, does not exist in the field of groundwater flow.
NASA Technical Reports Server (NTRS)
1969-01-01
The Hyper III was a low-cost test vehicle for an advanced lifting-body shape. Like the earlier M2-F1, it was a 'homebuilt' research aircraft, i.e., built at the Flight Research Center (FRC), later redesignated the Dryden Flight Research Center. It had a steel-tube frame covered with Dacron, a fiberglass nose, sheet aluminum fins, and a wing from an HP-11 sailplane. Construction was by volunteers at the FRC. Although the Hyper III was to be flown remotely in its initial tests, it was fitted with a cockpit for a pilot. On the Hyper III's only flight, it was towed aloft attached to a Navy SH-3 helicopter by a 400-foot cable. NASA research pilot Bruce Peterson flew the SH-3. After he released the Hyper III from the cable, NASA research pilot Milt Thompson flew the vehicle by radio control until the final approach when Dick Fischer took over control using a model-airplane radio-control box. The Hyper III flared, then landed and slid to a stop on Rogers Dry Lakebed. The Flight Research Center (FRC--as Dryden was named from 1959 until 1976) already had experience with testing small-scale aircraft using model-airplane techniques, but the first true remotely piloted research vehicle was the Hyper III, which flew only once in December 1969. At that time, the Center was engaged in flight research with a variety of reentry shapes called lifting bodies, and there was a desire both to expand the flight research experience with maneuverable reentry vehicles, including a high-performance, variable-geometry craft, and to investigate a remotely piloted flight research technique that made maximum use of a research pilot's skill and experience by placing him 'in the loop' as if he were in the cockpit. (There have been, as yet, no female research pilots assigned to Dryden.) The Hyper III as originally conceived was a stiletto-shaped lifting body that had resulted from a study at NASA's Langley Research Center in Hampton, Virginia. It was one of a number of hypersonic, cross-range reentry vehicles studied at Langley. (Hypersonic means Mach 5--five times the speed of sound--or faster; cross-range means able to fly a considerable distance to the left or right of the initial reentry path.) The FRC added a small, deployable, skewed wing to compensate for the shape's extremely low glide ratio. Shop personnel built the 32-foot-long Hyper III and covered its tubular frame with dacron, aluminum, and fiberglass, for about $6,500. Hyper III employed the same '8-ball' attitude indicator developed for control-room use when flying the X-15, two model-airplane receivers to command the vehicle's hydraulic controls, and a telemetry system (surplus from the X-15 program) to transmit 12 channels of data to the ground not only for display and control but for data analysis. Dropped from a helicopter at 10,000 feet, Hyper III flew under the control of research pilot Milt Thompson to a near landing using instruments for control. When the vehicle was close to the ground, he handed the vehicle off to experienced model pilot Dick Fischer for a visual landing using standard controls. The flight demonstrated the feasibility of remotely piloting research vehicles and, among other things, that control of the vehicle in roll was much better than predicted and that the vehicle had a much lower lift-to-drag ratio than predicted (a maximum of 4.0 rather than 5.0). Pilot Milt Thompson exhibited some suprising reactions during the Hyper III flight; he behaved as if he were in the cockpit of an actual research aircraft. 'I was really stimulated emotionally and physically in exactly the same manner that I have been during actual first flights.' 'Flying the Hyper III from a ground cockpit was just as dramatic as an actual flight in any of the other vehicles....responsibility rather than fear of personal safety is the real emotional driver. I have never come out of a simulator emtionally and physically tired as is often the case after a test flight in a research aircraft. I was emotionally and physically tired after a 3-minute flight of the Hyper III.'
Instabilities in mimetic matter perturbations
DOE Office of Scientific and Technical Information (OSTI.GOV)
Firouzjahi, Hassan; Gorji, Mohammad Ali; Mansoori, Seyed Ali Hosseini, E-mail: firouz@ipm.ir, E-mail: gorji@ipm.ir, E-mail: shosseini@shahroodut.ac.ir, E-mail: shossein@ipm.ir
2017-07-01
We study cosmological perturbations in mimetic matter scenario with a general higher derivative function. We calculate the quadratic action and show that both the kinetic term and the gradient term have the wrong sings. We perform the analysis in both comoving and Newtonian gauges and confirm that the Hamiltonians and the associated instabilities are consistent with each other in both gauges. The existence of instabilities is independent of the specific form of higher derivative function which generates gradients for mimetic field perturbations. It is verified that the ghost instability in mimetic perturbations is not associated with the higher derivative instabilitiesmore » such as the Ostrogradsky ghost.« less
Spheroidal Integral Equations for Geodetic Inversion of Geopotential Gradients
NASA Astrophysics Data System (ADS)
Novák, Pavel; Šprlák, Michal
2018-03-01
The static Earth's gravitational field has traditionally been described in geodesy and geophysics by the gravitational potential (geopotential for short), a scalar function of 3-D position. Although not directly observable, geopotential functionals such as its first- and second-order gradients are routinely measured by ground, airborne and/or satellite sensors. In geodesy, these observables are often used for recovery of the static geopotential at some simple reference surface approximating the actual Earth's surface. A generalized mathematical model is represented by a surface integral equation which originates in solving Dirichlet's boundary-value problem of the potential theory defined for the harmonic geopotential, spheroidal boundary and globally distributed gradient data. The mathematical model can be used for combining various geopotential gradients without necessity of their re-sampling or prior continuation in space. The model extends the apparatus of integral equations which results from solving boundary-value problems of the potential theory to all geopotential gradients observed by current ground, airborne and satellite sensors. Differences between spherical and spheroidal formulations of integral kernel functions of Green's kind are investigated. Estimated differences reach relative values at the level of 3% which demonstrates the significance of spheroidal approximation for flattened bodies such as the Earth. The observation model can be used for combined inversion of currently available geopotential gradients while exploring their spectral and stochastic characteristics. The model would be even more relevant to gravitational field modelling of other bodies in space with more pronounced spheroidal geometry than that of the Earth.
Muthu, S; Ramachandran, G
2014-01-01
The Fourier transform infrared (FT-IR) and FT-Raman of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine (1RNPDA) were recorded in the regions 4000-400 cm(-1) and 4000-100 cm(-1) respectively. A complete assignment and analysis of the fundamental vibrational modes of the molecule were carried out. The observed fundamental modes have been compared with the harmonic vibrational frequencies computed using HF method by employing 6-31G(d,p) basis set and DFT(B3LYP) method by employing 6-31G(d,p) basis set. The vibrational studies were interpreted in terms of Potential Energy Distribution (PED). The complete vibrational frequency assignments were made by Normal Co-ordinate Analysis (NCA) following the scaled quantum mechanical force field methodology (SQMFF). The first order hyper polarizability (β0) of this molecular system and related properties (α, μ, and Δα) are calculated using B3LYP/6-31G(d,p) method based on the finite-field approach. The thermodynamic functions of the title compound were also performed at the above methods and basis set. A detailed interpretation of the infrared and Raman spectra of 1RNPDA is reported. The (1)H and (13)C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated using the GIAO method confirms with the experimental values. Stability of the molecule arising from hyper-conjugative interactions and charge delocalization has been analyzed using Natural Bond Orbital (NBO) analysis. UV-vis spectrum of the compound was recorded and electronic properties such as excitation energies, oscillator strength and wavelength were performed by TD-DFT/B3LYP using 6-31G(d,p) basis set. The HOMO and LUMO energy gap reveals that the energy gap reflects the chemical activity of the molecule. The observed and calculated wave numbers are formed to be in good agreement. The experimental spectra also coincide satisfactorily with those of theoretically constructed spectra. Copyright © 2013 Elsevier B.V. All rights reserved.
Hyper-Spectral Image Analysis With Partially Latent Regression and Spatial Markov Dependencies
NASA Astrophysics Data System (ADS)
Deleforge, Antoine; Forbes, Florence; Ba, Sileye; Horaud, Radu
2015-09-01
Hyper-spectral data can be analyzed to recover physical properties at large planetary scales. This involves resolving inverse problems which can be addressed within machine learning, with the advantage that, once a relationship between physical parameters and spectra has been established in a data-driven fashion, the learned relationship can be used to estimate physical parameters for new hyper-spectral observations. Within this framework, we propose a spatially-constrained and partially-latent regression method which maps high-dimensional inputs (hyper-spectral images) onto low-dimensional responses (physical parameters such as the local chemical composition of the soil). The proposed regression model comprises two key features. Firstly, it combines a Gaussian mixture of locally-linear mappings (GLLiM) with a partially-latent response model. While the former makes high-dimensional regression tractable, the latter enables to deal with physical parameters that cannot be observed or, more generally, with data contaminated by experimental artifacts that cannot be explained with noise models. Secondly, spatial constraints are introduced in the model through a Markov random field (MRF) prior which provides a spatial structure to the Gaussian-mixture hidden variables. Experiments conducted on a database composed of remotely sensed observations collected from the Mars planet by the Mars Express orbiter demonstrate the effectiveness of the proposed model.
NASA Astrophysics Data System (ADS)
Li, L.
2015-12-01
Both the South China Sea and Canada Basin preserve oceanic spreading centres and adjacent passive continental margins characterized by broad COT zones with hyper-extended continental crust. We have investigated the nature of strain accommodation in the regions immediately adjacent to the oceanic spreading centres in these two basins using 2-D backstripping subsidence reconstructions, coupled with forward modelling constrained by estimates of upper crustal extensional faulting. Modelling is better constrained in the South China Sea but our results for the Beaufort Sea are analogous. Depth-dependent extension is required to explain the great depth of both basins because only modest upper crustal faulting is observed. A weak lower crust in the presence of high heat flow is suggested for both basins. Extension in the COT may continue even after sea-floor spreading has ceased. The analogous results for the two basins considered are discussed in terms of (1) constraining the timing and distribution of crustal thinning along the respective continental margins, (2) defining the processes leading to hyper-extension of continental crust in the respective tectonic settings and (3) illuminating the processes that control hyper-extension in these basins and more generally.
A hybrid linear/nonlinear training algorithm for feedforward neural networks.
McLoone, S; Brown, M D; Irwin, G; Lightbody, A
1998-01-01
This paper presents a new hybrid optimization strategy for training feedforward neural networks. The algorithm combines gradient-based optimization of nonlinear weights with singular value decomposition (SVD) computation of linear weights in one integrated routine. It is described for the multilayer perceptron (MLP) and radial basis function (RBF) networks and then extended to the local model network (LMN), a new feedforward structure in which a global nonlinear model is constructed from a set of locally valid submodels. Simulation results are presented demonstrating the superiority of the new hybrid training scheme compared to second-order gradient methods. It is particularly effective for the LMN architecture where the linear to nonlinear parameter ratio is large.
Visualization for Hyper-Heuristics. Front-End Graphical User Interface
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kroenung, Lauren
Modern society is faced with ever more complex problems, many of which can be formulated as generate-and-test optimization problems. General-purpose optimization algorithms are not well suited for real-world scenarios where many instances of the same problem class need to be repeatedly and efficiently solved because they are not targeted to a particular scenario. Hyper-heuristics automate the design of algorithms to create a custom algorithm for a particular scenario. While such automated design has great advantages, it can often be difficult to understand exactly how a design was derived and why it should be trusted. This project aims to address thesemore » issues of usability by creating an easy-to-use graphical user interface (GUI) for hyper-heuristics to support practitioners, as well as scientific visualization of the produced automated designs. My contributions to this project are exhibited in the user-facing portion of the developed system and the detailed scientific visualizations created from back-end data.« less
The Hyper Suprime-Cam software pipeline
NASA Astrophysics Data System (ADS)
Bosch, James; Armstrong, Robert; Bickerton, Steven; Furusawa, Hisanori; Ikeda, Hiroyuki; Koike, Michitaro; Lupton, Robert; Mineo, Sogo; Price, Paul; Takata, Tadafumi; Tanaka, Masayuki; Yasuda, Naoki; AlSayyad, Yusra; Becker, Andrew C.; Coulton, William; Coupon, Jean; Garmilla, Jose; Huang, Song; Krughoff, K. Simon; Lang, Dustin; Leauthaud, Alexie; Lim, Kian-Tat; Lust, Nate B.; MacArthur, Lauren A.; Mandelbaum, Rachel; Miyatake, Hironao; Miyazaki, Satoshi; Murata, Ryoma; More, Surhud; Okura, Yuki; Owen, Russell; Swinbank, John D.; Strauss, Michael A.; Yamada, Yoshihiko; Yamanoi, Hitomi
2018-01-01
In this paper, we describe the optical imaging data processing pipeline developed for the Subaru Telescope's Hyper Suprime-Cam (HSC) instrument. The HSC Pipeline builds on the prototype pipeline being developed by the Large Synoptic Survey Telescope's Data Management system, adding customizations for HSC, large-scale processing capabilities, and novel algorithms that have since been reincorporated into the LSST codebase. While designed primarily to reduce HSC Subaru Strategic Program (SSP) data, it is also the recommended pipeline for reducing general-observer HSC data. The HSC pipeline includes high-level processing steps that generate coadded images and science-ready catalogs as well as low-level detrending and image characterizations.
ERIC Educational Resources Information Center
Dervin, Fred
2015-01-01
In this article I use the current (r)evolution of interculturality to examine the logics, discourses and situated practices of internationalization in Finnish Higher Education. Based on a case study in Finland, different policies are analysed to see if and how the construction of internationalization takes place in these documents and what…
Diagrammatic expansion for positive density-response spectra: Application to the electron gas
NASA Astrophysics Data System (ADS)
Uimonen, A.-M.; Stefanucci, G.; Pavlyukh, Y.; van Leeuwen, R.
2015-03-01
In a recent paper [Phys. Rev. B 90, 115134 (2014), 10.1103/PhysRevB.90.115134] we put forward a diagrammatic expansion for the self-energy which guarantees the positivity of the spectral function. In this work we extend the theory to the density-response function. We write the generic diagram for the density-response spectrum as the sum of "partitions." In a partition the original diagram is evaluated using time-ordered Green's functions on the left half of the diagram, antitime-ordered Green's functions on the right half of the diagram, and lesser or greater Green's function gluing the two halves. As there exists more than one way to cut a diagram in two halves, to every diagram corresponds more than one partition. We recognize that the most convenient diagrammatic objects for constructing a theory of positive spectra are the half-diagrams. Diagrammatic approximations obtained by summing the squares of half-diagrams do indeed correspond to a combination of partitions which, by construction, yield a positive spectrum. We develop the theory using bare Green's functions and subsequently extend it to dressed Green's functions. We further prove a connection between the positivity of the spectral function and the analytic properties of the polarizability. The general theory is illustrated with several examples and then applied to solve the long-standing problem of including vertex corrections without altering the positivity of the spectrum. In fact already the first-order vertex diagram, relevant to the study of gradient expansion, Friedel oscillations, etc., leads to spectra which are negative in certain frequency domain. We find that the simplest approximation to cure this deficiency is given by the sum of the zeroth-order bubble diagram, the first-order vertex diagram, and a partition of the second-order ladder diagram. We evaluate this approximation in the three-dimensional homogeneous electron gas and show the positivity of the spectrum for all frequencies and densities.
Entropic anomaly and maximal efficiency of microscopic heat engines.
Bo, Stefano; Celani, Antonio
2013-05-01
The efficiency of microscopic heat engines in a thermally heterogenous environment is considered. We show that-as a consequence of the recently discovered entropic anomaly-quasistatic engines, whose efficiency is maximal in a fluid at uniform temperature, have in fact vanishing efficiency in the presence of temperature gradients. For slow cycles the efficiency falls off as the inverse of the period. The maximum efficiency is reached at a finite value of the cycle period that is inversely proportional to the square root of the gradient intensity. The relative loss in maximal efficiency with respect to the thermally homogeneous case grows as the square root of the gradient. As an illustration of these general results, we construct an explicit, analytically solvable example of a Carnot stochastic engine. In this thought experiment, a Brownian particle is confined by a harmonic trap and immersed in a fluid with a linear temperature profile. This example may serve as a template for the design of real experiments in which the effect of the entropic anomaly can be measured.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bozkaya, Uğur, E-mail: ugur.bozkaya@hacettepe.edu.tr; Department of Chemistry, Atatürk University, Erzurum 25240; Sherrill, C. David
2016-05-07
An efficient implementation is presented for analytic gradients of the coupled-cluster singles and doubles (CCSD) method with the density-fitting approximation, denoted DF-CCSD. Frozen core terms are also included. When applied to a set of alkanes, the DF-CCSD analytic gradients are significantly accelerated compared to conventional CCSD for larger molecules. The efficiency of our DF-CCSD algorithm arises from the acceleration of several different terms, which are designated as the “gradient terms”: computation of particle density matrices (PDMs), generalized Fock-matrix (GFM), solution of the Z-vector equation, formation of the relaxed PDMs and GFM, back-transformation of PDMs and GFM to the atomic orbitalmore » (AO) basis, and evaluation of gradients in the AO basis. For the largest member of the alkane set (C{sub 10}H{sub 22}), the computational times for the gradient terms (with the cc-pVTZ basis set) are 2582.6 (CCSD) and 310.7 (DF-CCSD) min, respectively, a speed up of more than 8-folds. For gradient related terms, the DF approach avoids the usage of four-index electron repulsion integrals. Based on our previous study [U. Bozkaya, J. Chem. Phys. 141, 124108 (2014)], our formalism completely avoids construction or storage of the 4-index two-particle density matrix (TPDM), using instead 2- and 3-index TPDMs. The DF approach introduces negligible errors for equilibrium bond lengths and harmonic vibrational frequencies.« less
Aircraft symmetric flight optimization. [gradient techniques for supersonic aircraft control
NASA Technical Reports Server (NTRS)
Falco, M.; Kelley, H. J.
1973-01-01
Review of the development of gradient techniques and their application to aircraft optimal performance computations in the vertical plane of flight. Results obtained using the method of gradients are presented for attitude- and throttle-control programs which extremize the fuel, range, and time performance indices subject to various trajectory and control constraints, including boundedness of engine throttle control. A penalty function treatment of state inequality constraints which generally appear in aircraft performance problems is outlined. Numerical results for maximum-range, minimum-fuel, and minimum-time climb paths for a hypothetical supersonic turbojet interceptor are presented and discussed. In addition, minimum-fuel climb paths subject to various levels of ground overpressure intensity constraint are indicated for a representative supersonic transport. A variant of the Gel'fand-Tsetlin 'method of ravines' is reviewed, and two possibilities for further development of continuous gradient processes are cited - namely, a projection version of conjugate gradients and a curvilinear search.
Hyper-hippocampal glycogen induced by glycogen loading with exhaustive exercise.
Soya, Mariko; Matsui, Takashi; Shima, Takeru; Jesmin, Subrina; Omi, Naomi; Soya, Hideaki
2018-01-19
Glycogen loading (GL), a well-known type of sports conditioning, in combination with exercise and a high carbohydrate diet (HCD) for 1 week enhances individual endurance capacity through muscle glycogen supercompensation. This exercise-diet combination is necessary for successful GL. Glycogen in the brain contributes to hippocampus-related memory functions and endurance capacity. Although the effect of HCD on the brain remains unknown, brain supercompensation occurs following exhaustive exercise (EE), a component of GL. We thus employed a rat model of GL and examined whether GL increases glycogen levels in the brain as well as in muscle, and found that GL increased glycogen levels in the hippocampus and hypothalamus, as well as in muscle. We further explored the essential components of GL (exercise and/or diet conditions) to establish a minimal model of GL focusing on the brain. Exercise, rather than a HCD, was found to be crucial for GL-induced hyper-glycogen in muscle, the hippocampus and the hypothalamus. Moreover, EE was essential for hyper-glycogen only in the hippocampus even without HCD. Here we propose the EE component of GL without HCD as a condition that enhances brain glycogen stores especially in the hippocampus, implicating a physiological strategy to enhance hippocampal functions.
NASA Astrophysics Data System (ADS)
Liu, Huawei; Zheng, Shu; Zhou, Huaichun; Qi, Chaobo
2016-02-01
A generalized method to estimate a two-dimensional (2D) distribution of temperature and wavelength-dependent emissivity in a sooty flame with spectroscopic radiation intensities is proposed in this paper. The method adopts a Newton-type iterative method to solve the unknown coefficients in the polynomial relationship between the emissivity and the wavelength, as well as the unknown temperature. Polynomial functions with increasing order are examined, and final results are determined as the result converges. Numerical simulation on a fictitious flame with wavelength-dependent absorption coefficients shows a good performance with relative errors less than 0.5% in the average temperature. What’s more, a hyper-spectral imaging device is introduced to measure an ethylene/air laminar diffusion flame with the proposed method. The proper order for the polynomial function is selected to be 2, because every one order increase in the polynomial function will only bring in a temperature variation smaller than 20 K. For the ethylene laminar diffusion flame with 194 ml min-1 C2H4 and 284 L min-1 air studied in this paper, the 2D distribution of average temperature estimated along the line of sight is similar to, but smoother than that of the local temperature given in references, and the 2D distribution of emissivity shows a cumulative effect of the absorption coefficient along the line of sight. It also shows that emissivity of the flame decreases as the wavelength increases. The emissivity under wavelength 400 nm is about 2.5 times as much as that under wavelength 1000 nm for a typical line-of-sight in the flame, with the same trend for the absorption coefficient of soot varied with the wavelength.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mardirossian, Narbe; Head-Gordon, Martin
2013-12-18
A 10-parameter, range-separated hybrid (RSH), generalized gradient approximation (GGA) density functional with nonlocal correlation (VV10) is presented in this paper. Instead of truncating the B97-type power series inhomogeneity correction factors (ICF) for the exchange, same-spin correlation, and opposite-spin correlation functionals uniformly, all 16 383 combinations of the linear parameters up to fourth order (m = 4) are considered. These functionals are individually fit to a training set and the resulting parameters are validated on a primary test set in order to identify the 3 optimal ICF expansions. Through this procedure, it is discovered that the functional that performs best onmore » the training and primary test sets has 7 linear parameters, with 3 additional nonlinear parameters from range-separation and nonlocal correlation. The resulting density functional, ωB97X-V, is further assessed on a secondary test set, the parallel-displaced coronene dimer, as well as several geometry datasets. Finally and furthermore, the basis set dependence and integration grid sensitivity of ωB97X-V are analyzed and documented in order to facilitate the use of the functional.« less
Comparative Analysis of Haar and Daubechies Wavelet for Hyper Spectral Image Classification
NASA Astrophysics Data System (ADS)
Sharif, I.; Khare, S.
2014-11-01
With the number of channels in the hundreds instead of in the tens Hyper spectral imagery possesses much richer spectral information than multispectral imagery. The increased dimensionality of such Hyper spectral data provides a challenge to the current technique for analyzing data. Conventional classification methods may not be useful without dimension reduction pre-processing. So dimension reduction has become a significant part of Hyper spectral image processing. This paper presents a comparative analysis of the efficacy of Haar and Daubechies wavelets for dimensionality reduction in achieving image classification. Spectral data reduction using Wavelet Decomposition could be useful because it preserves the distinction among spectral signatures. Daubechies wavelets optimally capture the polynomial trends while Haar wavelet is discontinuous and resembles a step function. The performance of these wavelets are compared in terms of classification accuracy and time complexity. This paper shows that wavelet reduction has more separate classes and yields better or comparable classification accuracy. In the context of the dimensionality reduction algorithm, it is found that the performance of classification of Daubechies wavelets is better as compared to Haar wavelet while Daubechies takes more time compare to Haar wavelet. The experimental results demonstrate the classification system consistently provides over 84% classification accuracy.
NASA Astrophysics Data System (ADS)
Zaady, E.; Segoli, M.; Eldridge, D. J.; Groffman, P. M.; Boeken, B.; Shachak, M.
2009-04-01
Primary production and nutrient cycling in dryland systems are limited by water supply. There are two groups of primary producers, high biomass production plants and low biomass producing organisms found in biological soil crusts (BSC's), which control energy flow, nutrient cycling and hydrology. Biological or biogenic soil crusts are common in the world's drylands, from dry sub-humid to hyper-arid systems. The crusts are formed by communities of microphytes, mainly cyanobacteria, green algae, mosses, and lichens. The extracellular polysaccharide materials produced by the crust organisms attach soil particles, creating a solid horizontal layer of crust. Biological soil crusts modify soil quality by (1) aggregating soil particles, thereby reducing wind and water erosion; (2) reducing water infiltration, causing overland water run-off; and (3) N fixation and C sequestration. Dryland landscapes are two phase mosaic composed of BSC and high production patches. Development or loss of BSC may trigger changes in the spatial distribution of the patch types and therefore transitions between functional and degraded ecosystem states. We present a conceptual model depicting the function of each patch type and the link between them. Taking into account the contrast between low and high vegetation cover of dryland systems and their role in controlling soil nitrogen and water flows. The model describes the functioning of dryland systems with low biomass producing crust organisms cover, low rainfall, low top soil water and production, which cause low infiltration rate, low N uptake, nitrate accumulation, high evaporation and runoff. This leads to leaching of nitrates, oxygen depletion with high anaerobic conditions, high denitrification rates and N loss, resulting in low plant cover and soil organic matter i.e., degraded soil. It also depicts the functioning of the high production plants under low rainfall regimes resulting in low rates of N and energy flows. The model shows that when the two patches are combined into a source-sink system there is a synergetic effect increasing productivity and diversity, and N cycling and hydrology. The strength of the synergism depends on the climatological gradient. Correspondence to: Eli Zaady (Email: zaadye@volcani.agri.gov.il).
Responses of leaf traits to climatic gradients: adaptive variation versus compositional shifts
NASA Astrophysics Data System (ADS)
Meng, T.-T.; Wang, H.; Harrison, S. P.; Prentice, I. C.; Ni, J.; Wang, G.
2015-09-01
Dynamic global vegetation models (DGVMs) typically rely on plant functional types (PFTs), which are assigned distinct environmental tolerances and replace one another progressively along environmental gradients. Fixed values of traits are assigned to each PFT; modelled trait variation along gradients is thus driven by PFT replacement. But empirical studies have revealed "universal" scaling relationships (quantitative trait variations with climate that are similar within and between species, PFTs and communities); and continuous, adaptive trait variation has been proposed to replace PFTs as the basis for next-generation DGVMs. Here we analyse quantitative leaf-trait variation on long temperature and moisture gradients in China with a view to understanding the relative importance of PFT replacement vs. continuous adaptive variation within PFTs. Leaf area (LA), specific leaf area (SLA), leaf dry matter content (LDMC) and nitrogen content of dry matter were measured on all species at 80 sites ranging from temperate to tropical climates and from dense forests to deserts. Chlorophyll fluorescence traits and carbon, phosphorus and potassium contents were measured at 47 sites. Generalized linear models were used to relate log-transformed trait values to growing-season temperature and moisture indices, with or without PFT identity as a predictor, and to test for differences in trait responses among PFTs. Continuous trait variation was found to be ubiquitous. Responses to moisture availability were generally similar within and between PFTs, but biophysical traits (LA, SLA and LDMC) of forbs and grasses responded differently from woody plants. SLA and LDMC responses to temperature were dominated by the prevalence of evergreen PFTs with thick, dense leaves at the warm end of the gradient. Nutrient (N, P and K) responses to climate gradients were generally similar within all PFTs. Area-based nutrients generally declined with moisture; Narea and Karea declined with temperature, but Parea increased with temperature. Although the adaptive nature of many of these trait-climate relationships is understood qualitatively, a key challenge for modelling is to predict them quantitatively. Models must take into account that community-level responses to climatic gradients can be influenced by shifts in PFT composition, such as the replacement of deciduous by evergreen trees, which may run either parallel or counter to trait variation within PFTs. The importance of PFT shifts varies among traits, being important for biophysical traits but less so for physiological and chemical traits. Finally, models should take account of the diversity of trait values that is found in all sites and PFTs, representing the "pool" of variation that is locally available for the natural adaptation of ecosystem function to environmental change.
Yang, Qi; Zhang, Yanzhu; Zhao, Tiebiao; Chen, YangQuan
2017-04-04
Image super-resolution using self-optimizing mask via fractional-order gradient interpolation and reconstruction aims to recover detailed information from low-resolution images and reconstruct them into high-resolution images. Due to the limited amount of data and information retrieved from low-resolution images, it is difficult to restore clear, artifact-free images, while still preserving enough structure of the image such as the texture. This paper presents a new single image super-resolution method which is based on adaptive fractional-order gradient interpolation and reconstruction. The interpolated image gradient via optimal fractional-order gradient is first constructed according to the image similarity and afterwards the minimum energy function is employed to reconstruct the final high-resolution image. Fractional-order gradient based interpolation methods provide an additional degree of freedom which helps optimize the implementation quality due to the fact that an extra free parameter α-order is being used. The proposed method is able to produce a rich texture detail while still being able to maintain structural similarity even under large zoom conditions. Experimental results show that the proposed method performs better than current single image super-resolution techniques. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.
Bi, Sai; Chen, Min; Jia, Xiaoqiang; Dong, Ying; Wang, Zonghua
2015-07-06
A hyper-branched hybridization chain reaction (HB-HCR) is presented herein, which consists of only six species that can metastably coexist until the introduction of an initiator DNA to trigger a cascade of hybridization events, leading to the self-sustained assembly of hyper-branched and nicked double-stranded DNA structures. The system can readily achieve ultrasensitive detection of target DNA. Moreover, the HB-HCR principle is successfully applied to construct three-input concatenated logic circuits with excellent specificity and extended to design a security-mimicking keypad lock system. Significantly, the HB-HCR-based keypad lock can alarm immediately if the "password" is incorrect. Overall, the proposed HB-HCR with high amplification efficiency is simple, homogeneous, fast, robust, and low-cost, and holds great promise in the development of biosensing, in the programmable assembly of DNA architectures, and in molecular logic operations. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
NASA Astrophysics Data System (ADS)
Weijs, Joost H.; Jeanneret, Raphaël; Dreyfus, Rémi; Bartolo, Denis
2015-03-01
We present experiments and numerical simulations of a microfluidic echo process, in which a large number of droplets interact in a periodically driven viscous fluid [Jeanneret & Bartolo, Nature Comm. 5, 3474 (2013)]. Upon increasing the driving amplitude we demonstrate the collective reversibility loss of the droplet dynamics. In addition we show that this genuine dynamical phase transition is associated with a structural one: at the onset of irreversibility the droplet ensemble self-organises into a random hyperuniform state. Numerical simulations evidence that the purely reversible hydrodynamic interactions together with hard-core repulsion account for most of our experimental findings. Hyperuniformity is relevant for the production of large-band-gap materials, but are difficult to construct both numerically and experimentally. The hydrodynamic echo-process may provide a robust, fast, and simple way to produce hyper uniform structures over a wide range of packing fractions.
Characterization of Orbital Debris Via Hyper-Velocity Ground-Based Tests
NASA Technical Reports Server (NTRS)
Cowardin, Heather
2015-01-01
To replicate a hyper-velocity fragmentation event using modern-day spacecraft materials and construction techniques to better improve the existing DoD and NASA breakup models. DebriSat is intended to be representative of modern LEO satellites.Major design decisions were reviewed and approved by Aerospace subject matter experts from different disciplines. DebriSat includes 7 major subsystems. Attitude determination and control system (ADCS), command and data handling (C&DH), electrical power system (EPS), payload, propulsion, telemetry tracking and command (TT&C), and thermal management. To reduce cost, most components are emulated based on existing design of flight hardware and fabricated with the same materials. A key laboratory-based test, Satellite Orbital debris Characterization Impact Test (SOCIT), supporting the development of the DoD and NASA satellite breakup models was conducted at AEDC in 1992 .Breakup models based on SOCIT have supported many applications and matched on-orbit events reasonably well over the years.
Apoptotic transition of senescent cells accompanied with mitochondrial hyper-function
Wang, Danli; Liu, Yang; Zhang, Rui; Zhang, Fen; Sui, Weihao; Chen, Li; Zheng, Ran; Chen, Xiaowen; Wen, Feiqiu; Ouyang, Hong-Wei; Ji, Junfeng
2016-01-01
Defined as stable cell-cycle arrest, cellular senescence plays an important role in diverse biological processes including tumorigenesis, organismal aging, and embryonic development. Although increasing evidence has documented the metabolic changes in senescent cells, mitochondrial function and its potential contribution to the fate of senescent cells remain largely unknown. Here, using two in vitro models of cellular senescence induced by doxorubicin treatment and prolonged passaging of neonatal human foreskin fibroblasts, we report that senescent cells exhibited high ROS level and augmented glucose metabolic rate concomitant with both morphological and quantitative changes of mitochondria. Furthermore, mitochondrial membrane potential depolarized at late stage of senescent cells which eventually led to apoptosis. Our study reveals that mitochondrial hyper-function contributes to the implementation of cellular senescence and we propose a model in which the mitochondrion acts as the key player in promoting fate-determination in senescent cells. PMID:27056883
Brunetti, F; Garay, Á; Moreno, J C; Pons, J L
2011-01-01
This paper presents the development of a novel functional electrical stimulation (FES) system. New approaches in emerging rehabilitation robotics propose the use of residual muscular activity or limbs movements during the rehabilitation process of neuromotor. More ambitious projects propose the use of FES systems to restore or compensate motor capabilities by controlling existing muscles or subject limbs. These emerging approaches require more sophisticated FES devices in terms of channels, signals controls and portability. In the framework of HYPER project, such devices are being developed to support the main objective of the project: the development of neurorobots and neuroprosthetics to restore functional motor capabilities in patients who suffered cerebrovascular accidents or spinal cord injury. The presented portable FES system includes novel elec-trostimulator circuits and improved channel switching capacities to enable emerging approaches in rehabilitation robotics. © 2011 IEEE
Niinemets, Ulo
2015-01-01
The leaf economics spectrum is a general concept describing coordinated variation in foliage structural, chemical and physiological traits across resource gradients. Yet, within this concept,the role of within-species variation, including ecotypic and plastic variation components, has been largely neglected. This study hypothesized that there is a within-species economics spectrum within the general spectrum in the evergreen sclerophyll Quercus ilex which dominates low resource ecosystems over an exceptionally wide range. An extensive database of foliage traits covering the full species range was constructed, and improved filtering algorithms were developed. Standardized data filtering was deemed absolutely essential as additional variation sources can result in trait variation of 10–300%,blurring the broad relationships. Strong trait variation, c. two-fold for most traits to up to almost an order of magnitude, was uncovered.Although the Q. ilex spectrum is part of the general spectrum, within-species trait and climatic relationships in this species partly differed from the overall spectrum. Contrary to world-wide trends, Q. ilex does not necessarily have a low nitrogen content per mass and can increase photosynthetic capacity with increasing foliage robustness. This study argues that the within-species economics spectrum needs to be considered in regional- to biome-level analyses.
Healthy imperfect dark matter from effective theory of mimetic cosmological perturbations
NASA Astrophysics Data System (ADS)
Hirano, Shin'ichi; Nishi, Sakine; Kobayashi, Tsutomu
2017-07-01
We study the stability of a recently proposed model of scalar-field matter called mimetic dark matter or imperfect dark matter. It has been known that mimetic matter with higher derivative terms suffers from gradient instabilities in scalar perturbations. To seek for an instability-free extension of imperfect dark matter, we develop an effective theory of cosmological perturbations subject to the constraint on the scalar field's kinetic term. This is done by using the unifying framework of general scalar-tensor theories based on the ADM formalism. We demonstrate that it is indeed possible to construct a model of imperfect dark matter which is free from ghost and gradient instabilities. As a side remark, we also show that mimetic F(Script R) theory is plagued with the Ostrogradsky instability.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lipnikov, Konstantin; Shashkov, Mikhail
2011-01-11
We construct a new mimetic tensor artificial viscosity on general polygonal and polyhedral meshes. The tensor artificial viscosity is based on a mimetic discretization of coordinate invariant operators, divergence of a tensor and gradient of a vector. The focus of this paper is on the symmetric form, div ({mu},{var_epsilon}(u)), of the tensor artificial viscosity where {var_epsilon}(u) is the symmetrized gradient of u and {mu}, is a tensor. The mimetic discretizations of this operator is derived for the case of a full tensor coefficient {mu}, that may reflect a shock direction. We demonstrate performance of the new viscosity for the Nohmore » implosion, Sedov explosion and Saltzman piston problems in both Cartesian and axisymmetric coordinate systems.« less
Stream Phosphorus Dynamics Along a Suburbanizing Gradient in Southern Ontario, Canada
NASA Astrophysics Data System (ADS)
Duval, T. P.
2017-12-01
While it is well known that urban streams are subject to impaired water quality relative to natural analogues, far less research has been directed at stream water quality during the process of (sub-) urbanization. This study determines the role of housing construction activities in Brampton, Canada on the concentration and flux of phosphorus (P) of a headwater stream. Prior to development the stream was engineered with a riffle-pool sequence, riparian plantings, and a floodplain corridor that was lined with sediment fencing. Stream sites were sampled daily over a period of six months at locations representing varying stages of subdivision completion (upper site -active construction; middle site -finished construction and natural vegetation; lower site -finished construction and active construction). A nearby urban stream site developed ten years prior to this study was selected as a reference site. There were no differences in total phosphorus (TP) levels or flux between the suburbanizing and urban streams; however, the forms of P differed between sites. The urban stream TP load was dominated by particulate phosphorus (PP) while suburbanizing stream P was mainly in the dissolved organic phosphorus (DOP) form. The importance of DOP to TP flux increased with the onset of the growing season. TP levels in all stream segments frequently exceeded provincial water quality guidelines during storm events but were generally low during baseflow conditions. During storm events PP and total suspended solid levels in the suburbanizing stream reached levels of the urban stream due to sediment fence failure at several locations along the construction-hillslope interface. Along the suburbanizing gradient, the hydrological connection to a mid-reach zone of no-construction activity / fallow field and native forest resulted in significantly lower P levels than the upper suburbanizing stream site. This suggests that stream channel design features as well as timing of construction activities and the hydrological connection between the stream and construction projects all contribute to downstream export of nutrients and ultimately stream water quality.
Stiff upper lip: Labrum deformity and functionality in bees (Hymenoptera: Apoidea)
USDA-ARS?s Scientific Manuscript database
In hyper-diverse groups such as Hymenoptera, a variety of structures with different, complementary functions are used for feeding. Although the function of the parts such as the mandibles is obvious, the use of others, like the labrum, is more difficult to discern. Here, we discuss the labrum’s func...
Reinforcing loose foundation stones in trait-based plant ecology.
Shipley, Bill; De Bello, Francesco; Cornelissen, J Hans C; Laliberté, Etienne; Laughlin, Daniel C; Reich, Peter B
2016-04-01
The promise of "trait-based" plant ecology is one of generalized prediction across organizational and spatial scales, independent of taxonomy. This promise is a major reason for the increased popularity of this approach. Here, we argue that some important foundational assumptions of trait-based ecology have not received sufficient empirical evaluation. We identify three such assumptions and, where possible, suggest methods of improvement: (i) traits are functional to the degree that they determine individual fitness, (ii) intraspecific variation in functional traits can be largely ignored, and (iii) functional traits show general predictive relationships to measurable environmental gradients.
Davies, Oliver
2016-01-01
New data is emerging from evolutionary anthropology and the neuroscience of social cognition on our species-specific hyper-cooperation (HC). This paper attempts an integration of third-person archaeological and second-person, neuroscientific perspectives on the structure of HC, through a post-Ricoeurian development in hermeneutical phenomenology. We argue for the relatively late evolution of advanced linguistic consciousness (ALC) (Hiscock in Biological Theory 9:27-41, 2014), as a reflexive system based on the 'in-between' or 'cognitive system' as reported by Vogeley et al. (in: Interdisziplinäre anthropologie, Heidelberg, Springer, 2014) of face-to-face social cognition, as well as tool use. The possibility of a positive or negative tension between the more recent ALC and the more ancient, pre-thematic, self-organizing 'in-between' frames an 'internal' niche construction. This indexes the internal structure of HC as 'convergence', where complex, engaged, social reasoning in ALC mirrors the cognitive structure of the pre-thematic 'in-between', extending the bio-energy of our social cognition, through reflexive amplification, in the production of 'social place' as 'humanized space'. If individual word/phrase acquisition, in contextual actuality, is the distinctive feature of human language (Hurford in European Reviews 12:551-565, 2004), then human language is a hyperbolic, species-wide training in particularized co-location, developing consciousness of a shared world. The humanization of space and production of HC, through co-location, requires the 'disarming' of language as a medium of control, and a foregrounding of the materiality of the sign. The production of 'hyper-place' as solidarity beyond the face-to-face, typical of world religions, becomes possible where internal niche construction as convergence with the 'in-between' (world in us) combines with religious cosmologies reflecting an external 'cosmic' niche construction (world outside us).
NASA Astrophysics Data System (ADS)
Niinemets, Ülo; Keenan, Trevor
2017-04-01
Major light gradients, characteristically 10- to 50-fold, constitute the most prominent feature of plant canopies. These gradients drive within-canopy variation in foliage structural, chemical and physiological traits. As a key acclimation response to variation in light availability, foliage photosynthetic capacity per area (Aarea) increases with increasing light availability within the canopy, maximizing whole canopy photosynthesis. Recently, a worldwide database including 831 within-canopy gradients with standardized light estimates for 304 species belonging to major vascular plant functional types was constructed and within-canopy variation in photosynthetic acclimation was characterized (Niinemets Ü, Keenan TF, Hallik L (2015) Tansley review. A worldwide analysis of within-canopy variations in leaf structural, chemical and physiological traits across plant functional types. The New Phytologist 205: 973-993). However, the understanding of how within-canopy photosynthetic gradients vary during the growing season and in response to site and stand characteristics is still limited. Here we analyzed temporal, environmental and site (nutrient availability, stand density, ambient CO2 concentration, water availability) sources of variation in within-canopy photosynthetic acclimation in different plant functional types. Variation in key structural (leaf dry mass per unit area, MA), chemical (nitrogen content per dry mass, NM, and area, NA) and physiological (photosynthetic nitrogen use efficiency, EN) photosynthetic capacity per dry mass, Amass and area, Aarea) was examined. The analysis demonstrates major, typically 1.5-2-fold, time-, environment and site-dependent modifications in within-canopy variation in foliage photosynthetic capacity. However, the magnitude and direction of temporal and environmental variations in plasticity significantly varied among functional types. Species with longer leaf life span and low rates of canopy expansion or flush-type canopy formation had lower within canopy plasticity during the growing season and in response to environmental and site modifications than species with high rates of canopy expansion and leaf turnover. The fast canopy-expanding species that grow in highly dynamic light environments, actively modified Aarea by nitrogen reallocation among and partitioning within leaves. In contrast, species with low rate of leaf turnover generally exhibited a passive acclimation response with variation in Aarea primarily determined by light-dependent modifications in leaf structure during leaf growth. Due to limited reacclimation capacity in species with low leaf turnover, within-canopy variation in Aarea decreased with increasing leaf age in these species. Furthermore, the plasticity responded less to modifications in environmental and site characteristics than in species with faster leaf turnover. This analysis concludes that the rate of leaf turnover is the key trait determining the temporal variation and environmental responses of canopy photosynthetic acclimation.
NASA Astrophysics Data System (ADS)
Tripathy, Rohit; Bilionis, Ilias; Gonzalez, Marcial
2016-09-01
Uncertainty quantification (UQ) tasks, such as model calibration, uncertainty propagation, and optimization under uncertainty, typically require several thousand evaluations of the underlying computer codes. To cope with the cost of simulations, one replaces the real response surface with a cheap surrogate based, e.g., on polynomial chaos expansions, neural networks, support vector machines, or Gaussian processes (GP). However, the number of simulations required to learn a generic multivariate response grows exponentially as the input dimension increases. This curse of dimensionality can only be addressed, if the response exhibits some special structure that can be discovered and exploited. A wide range of physical responses exhibit a special structure known as an active subspace (AS). An AS is a linear manifold of the stochastic space characterized by maximal response variation. The idea is that one should first identify this low dimensional manifold, project the high-dimensional input onto it, and then link the projection to the output. If the dimensionality of the AS is low enough, then learning the link function is a much easier problem than the original problem of learning a high-dimensional function. The classic approach to discovering the AS requires gradient information, a fact that severely limits its applicability. Furthermore, and partly because of its reliance to gradients, it is not able to handle noisy observations. The latter is an essential trait if one wants to be able to propagate uncertainty through stochastic simulators, e.g., through molecular dynamics codes. In this work, we develop a probabilistic version of AS which is gradient-free and robust to observational noise. Our approach relies on a novel Gaussian process regression with built-in dimensionality reduction. In particular, the AS is represented as an orthogonal projection matrix that serves as yet another covariance function hyper-parameter to be estimated from the data. To train the model, we design a two-step maximum likelihood optimization procedure that ensures the orthogonality of the projection matrix by exploiting recent results on the Stiefel manifold, i.e., the manifold of matrices with orthogonal columns. The additional benefit of our probabilistic formulation, is that it allows us to select the dimensionality of the AS via the Bayesian information criterion. We validate our approach by showing that it can discover the right AS in synthetic examples without gradient information using both noiseless and noisy observations. We demonstrate that our method is able to discover the same AS as the classical approach in a challenging one-hundred-dimensional problem involving an elliptic stochastic partial differential equation with random conductivity. Finally, we use our approach to study the effect of geometric and material uncertainties in the propagation of solitary waves in a one dimensional granular system.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Tripathy, Rohit, E-mail: rtripath@purdue.edu; Bilionis, Ilias, E-mail: ibilion@purdue.edu; Gonzalez, Marcial, E-mail: marcial-gonzalez@purdue.edu
2016-09-15
Uncertainty quantification (UQ) tasks, such as model calibration, uncertainty propagation, and optimization under uncertainty, typically require several thousand evaluations of the underlying computer codes. To cope with the cost of simulations, one replaces the real response surface with a cheap surrogate based, e.g., on polynomial chaos expansions, neural networks, support vector machines, or Gaussian processes (GP). However, the number of simulations required to learn a generic multivariate response grows exponentially as the input dimension increases. This curse of dimensionality can only be addressed, if the response exhibits some special structure that can be discovered and exploited. A wide range ofmore » physical responses exhibit a special structure known as an active subspace (AS). An AS is a linear manifold of the stochastic space characterized by maximal response variation. The idea is that one should first identify this low dimensional manifold, project the high-dimensional input onto it, and then link the projection to the output. If the dimensionality of the AS is low enough, then learning the link function is a much easier problem than the original problem of learning a high-dimensional function. The classic approach to discovering the AS requires gradient information, a fact that severely limits its applicability. Furthermore, and partly because of its reliance to gradients, it is not able to handle noisy observations. The latter is an essential trait if one wants to be able to propagate uncertainty through stochastic simulators, e.g., through molecular dynamics codes. In this work, we develop a probabilistic version of AS which is gradient-free and robust to observational noise. Our approach relies on a novel Gaussian process regression with built-in dimensionality reduction. In particular, the AS is represented as an orthogonal projection matrix that serves as yet another covariance function hyper-parameter to be estimated from the data. To train the model, we design a two-step maximum likelihood optimization procedure that ensures the orthogonality of the projection matrix by exploiting recent results on the Stiefel manifold, i.e., the manifold of matrices with orthogonal columns. The additional benefit of our probabilistic formulation, is that it allows us to select the dimensionality of the AS via the Bayesian information criterion. We validate our approach by showing that it can discover the right AS in synthetic examples without gradient information using both noiseless and noisy observations. We demonstrate that our method is able to discover the same AS as the classical approach in a challenging one-hundred-dimensional problem involving an elliptic stochastic partial differential equation with random conductivity. Finally, we use our approach to study the effect of geometric and material uncertainties in the propagation of solitary waves in a one dimensional granular system.« less
Point-spread function reconstruction in ground-based astronomy by l(1)-l(p) model.
Chan, Raymond H; Yuan, Xiaoming; Zhang, Wenxing
2012-11-01
In ground-based astronomy, images of objects in outer space are acquired via ground-based telescopes. However, the imaging system is generally interfered by atmospheric turbulence, and hence images so acquired are blurred with unknown point-spread function (PSF). To restore the observed images, the wavefront of light at the telescope's aperture is utilized to derive the PSF. A model with the Tikhonov regularization has been proposed to find the high-resolution phase gradients by solving a least-squares system. Here we propose the l(1)-l(p) (p=1, 2) model for reconstructing the phase gradients. This model can provide sharper edges in the gradients while removing noise. The minimization models can easily be solved by the Douglas-Rachford alternating direction method of a multiplier, and the convergence rate is readily established. Numerical results are given to illustrate that the model can give better phase gradients and hence a more accurate PSF. As a result, the restored images are much more accurate when compared to the traditional Tikhonov regularization model.
Lamiel-Garcia, Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Bromley, Stefan T; Illas, Francesc
2017-04-11
All electron relativistic density functional theory (DFT) based calculations using numerical atom-centered orbitals have been carried out to explore the relative stability, atomic, and electronic structure of a series of stoichiometric TiO 2 anatase nanoparticles explicitly containing up to 1365 atoms as a function of size and morphology. The nanoparticles under scrutiny exhibit octahedral or truncated octahedral structures and span the 1-6 nm diameter size range. Initial structures were obtained using the Wulff construction, thus exhibiting the most stable (101) and (001) anatase surfaces. Final structures were obtained from geometry optimization with full relaxation of all structural parameters using both generalized gradient approximation (GGA) and hybrid density functionals. Results show that, for nanoparticles of a similar size, octahedral and truncated octahedral morphologies have comparable energetic stabilities. The electronic structure properties exhibit a clear trend converging to the bulk values as the size of the nanoparticles increases but with a marked influence of the density functional employed. Our results suggest that electronic structure properties, and hence reactivity, for the largest anatase nanoparticles considered in this study will be similar to those exhibited by even larger mesoscale particles or by bulk systems. Finally, we present compelling evidence that anatase nanoparticles become effectively bulklike when reaching a size of ∼20 nm diameter.
Highly oriented photosynthetic reaction centers generate a proton gradient in synthetic protocells
Altamura, Emiliano; Milano, Francesco; Tangorra, Roberto R.; Trotta, Massimo; Omar, Omar Hassan; Stano, Pasquale
2017-01-01
Photosynthesis is responsible for the photochemical conversion of light into the chemical energy that fuels the planet Earth. The photochemical core of this process in all photosynthetic organisms is a transmembrane protein called the reaction center. In purple photosynthetic bacteria a simple version of this photoenzyme catalyzes the reduction of a quinone molecule, accompanied by the uptake of two protons from the cytoplasm. This results in the establishment of a proton concentration gradient across the lipid membrane, which can be ultimately harnessed to synthesize ATP. Herein we show that synthetic protocells, based on giant lipid vesicles embedding an oriented population of reaction centers, are capable of generating a photoinduced proton gradient across the membrane. Under continuous illumination, the protocells generate a gradient of 0.061 pH units per min, equivalent to a proton motive force of 3.6 mV⋅min−1. Remarkably, the facile reconstitution of the photosynthetic reaction center in the artificial lipid membrane, obtained by the droplet transfer method, paves the way for the construction of novel and more functional protocells for synthetic biology. PMID:28320948
NASA Astrophysics Data System (ADS)
Li, Guannan; Huang, Xiaokun; Hu, Jingsan; Zhang, Weiyi
2017-04-01
Based on the first-principles total-energy calculation, we have studied the shear-strain gradient effect on the polarization reversal of ferroelectric BaTiO3 thin films. By calculating the energies of double-domain supercells for different electric polarization, shear-strain gradients, and domain-wall displacement, we extracted, in addition to the domain-wall energy, the polarization energy, elastic energy, and flexoelectric coefficient of a single domain. The constructed Landau-Devonshire phenomenological theory yields a critical shear-strain gradient of 9.091 ×107/m (or a curvature radius (R ) of 110 Å) for reversing the 180∘ domain at room temperature, which is on the same order of the experimentally estimated value of 3.333 ×107/m (R =300 Å ). In contrast to the commonly used linear response theory, the flexoelectric coefficient derived from fitting the total energy to a Landau-Devonshire energy functional does not depend on the specific pseudopotential. Thus, our method offers an alternative numerical approach to study the flexoelectric effect.
Smooth function approximation using neural networks.
Ferrari, Silvia; Stengel, Robert F
2005-01-01
An algebraic approach for representing multidimensional nonlinear functions by feedforward neural networks is presented. In this paper, the approach is implemented for the approximation of smooth batch data containing the function's input, output, and possibly, gradient information. The training set is associated to the network adjustable parameters by nonlinear weight equations. The cascade structure of these equations reveals that they can be treated as sets of linear systems. Hence, the training process and the network approximation properties can be investigated via linear algebra. Four algorithms are developed to achieve exact or approximate matching of input-output and/or gradient-based training sets. Their application to the design of forward and feedback neurocontrollers shows that algebraic training is characterized by faster execution speeds and better generalization properties than contemporary optimization techniques.
Analysis of hyper-baric biofilms on engineering surfaces formed in the Deep Sea
NASA Astrophysics Data System (ADS)
Meier, A.; Tsaloglou, N. M.; Connelly, D.; Keevil, B.; Mowlem, M.
2012-04-01
Long-term monitoring of the environment is essential to our understanding of global processes, such as global warming, and their impact. As biofilm formation occurs after only short deployment periods in the marine environment, it is a major problem in long-term operation of environmental sensors. This makes the development of anti-fouling strategies for in situ sensors critical to their function. The effects on sensors can range from measurement drift, which can be compensated, to blockage of channels and material degradation, rendering them inoperative. In general, the longer the deployment period the more severe the effects of the biofouling become. Until now, biofilm research has focused mainly on the eutrophic and euphotic zones of the oceans. Hyper-baric biofilms are poorly understood due to difficulties in experimental setup and the assumption that biofouling in these oligotrophic regions could be regarded as insignificant. Our study shows significant biofilm formation occurs in the deep sea. We deployed a variety of materials, typically used in engineering structures, on a 4500 metre deep mooring during a cruise to the Cayman Trough, for 10 days. The materials were clear plain glass, poly-methyl methacrylate (PMMA), Delrin™, and copper, a known antifouling agent. The biofilms were studied by fluorescence microscopy and molecular analysis. For microscopy the nucleic acid stain, SYTO©9, was used and surface coverage was quantified by using a custom MATLAB™ program. Further molecular analyses, including UV Vis spectrometric quantification of DNA, nucleic acid amplification using Polymerase Chain Reaction (PCR), and Denaturing Gradient Gel Electrophoresis (DGGE), were utilised for the analysis of the microbial community composition of these biofilms. Six 16S/18S universal primer sets representative for the three kingdoms, Archea, Bacteria, and Eukarya were used for the PCR and DGGE. Preliminary results from fluorescence microscopy showed that the biofilm coverage on copper and PMMA was a third of that on Delrin™ and less than half the amount seen on glass surfaces. PCR showed that the microorganisms in these biofilms were predominantly Archea . DGGE conditions were optimised for the separation of PCR products from the three kingdoms. Sequencing data is still being processed. These results show that mitigation strategies are essential for any kind of long-term deployments of remote sensors even in the deep sea. Such strategies could consist for example of chlorine production through the electrolysis of seawater, back-flushing sensor channels with various chemicals, thin films of nickel/copper/zinc alloys in various ratios as surface treatments, quorum-sensing, furanone-treatment and micro-structuring of surfaces.
2014-03-27
14 Mar 2014 David J. Bunker, Ph.D. (Chairman) Date ____________//signed//_________________ 14 Mar 2014 Tay W. Johannes, Ph.D...Lt Col, USAF (Member) Date ____________//signed//_________________ 12 Mar 2014 Benjamin R. Kowash, Ph.D., Maj, USAF (Member) Date AFIT-ENP...by Test Date ........................ 28 Figure 3: Comparison of background spectra from 6 October (blue) and 16 September (green
Parameterized reduced order models from a single mesh using hyper-dual numbers
NASA Astrophysics Data System (ADS)
Brake, M. R. W.; Fike, J. A.; Topping, S. D.
2016-06-01
In order to assess the predicted performance of a manufactured system, analysts must consider random variations (both geometric and material) in the development of a model, instead of a single deterministic model of an idealized geometry with idealized material properties. The incorporation of random geometric variations, however, potentially could necessitate the development of thousands of nearly identical solid geometries that must be meshed and separately analyzed, which would require an impractical number of man-hours to complete. This research advances a recent approach to uncertainty quantification by developing parameterized reduced order models. These parameterizations are based upon Taylor series expansions of the system's matrices about the ideal geometry, and a component mode synthesis representation for each linear substructure is used to form an efficient basis with which to study the system. The numerical derivatives required for the Taylor series expansions are obtained via hyper-dual numbers, and are compared to parameterized models constructed with finite difference formulations. The advantage of using hyper-dual numbers is two-fold: accuracy of the derivatives to machine precision, and the need to only generate a single mesh of the system of interest. The theory is applied to a stepped beam system in order to demonstrate proof of concept. The results demonstrate that the hyper-dual number multivariate parameterization of geometric variations, which largely are neglected in the literature, are accurate for both sensitivity and optimization studies. As model and mesh generation can constitute the greatest expense of time in analyzing a system, the foundation to create a parameterized reduced order model based off of a single mesh is expected to reduce dramatically the necessary time to analyze multiple realizations of a component's possible geometry.
Limiting similarity and functional diversity along environmental gradients
Schwilk, D.W.; Ackerly, D.D.
2005-01-01
Recent developments in community models emphasize the importance of incorporating stochastic processes (e.g. ecological drift) in models of niche-structured community assembly. We constructed a finite, spatially explicit, lottery model to simulate the distribution of species in a one-dimensional landscape with an underlying gradient in environmental conditions. Our framework combines the potential for ecological drift with environmentally-mediated competition for space in a heterogeneous environment. We examined the influence of niche breadth, dispersal distances, community size (total number of individuals) and the breadth of the environmental gradient on levels of species and functional trait diversity (i.e. differences in niche optima). Three novel results emerge from this model: (1) niche differences between adjacent species (e.g. limiting similarity) increase in smaller communities, because of the interaction of competitive effects and finite population sizes; (2) immigration from a regional species pool, stochasticity and niche-assembly generate a bimodal distribution of species residence times ('transient' and 'resident') under a heterogeneous environment; and (3) the magnitude of environmental heterogeneity has a U-shaped effect on diversity, because of shifts in species richness of resident vs. transient species. These predictions illustrate the potential importance of stochastic (although not necessarily neutral) processes in community assembly. ??2005 Blackwell Publishing Ltd/CNRS.
Computer-Based Techniques for Collection of Pulmonary Function Variables during Rest and Exercise.
1991-03-01
routinely Included in experimental protocols involving hyper- and hypobaric excursions. Unfortunately, the full potential of those tests Is often not...for a Pulmonary Function data acquisition system that has proven useful in the hyperbaric research laboratory. It illustrates how computers can
NASA Astrophysics Data System (ADS)
Gauthey, F. I.; Keitel, C. H.; Knight, P. L.; Maquet, A.
1995-07-01
We investigate the coherent and incoherent contributions of the scattering spectrum of strongly driven two-level atoms as a function of the initial preparation of the atomic system. The initial ``phasing'' of the coherent superposition of the excited and ground states is shown to influence strongly the generation of both harmonics and hyper-Raman lines. In particular, we point out conditions under which harmonic generation can be inhibited at the expense of the hyper-Raman lines. Our numerical findings are supported by approximate analytical evaluation in the dressed state picture.
Improving Photometric Redshifts for Hyper Suprime-Cam
NASA Astrophysics Data System (ADS)
Speagle, Josh S.; Leauthaud, Alexie; Eisenstein, Daniel; Bundy, Kevin; Capak, Peter L.; Leistedt, Boris; Masters, Daniel C.; Mortlock, Daniel; Peiris, Hiranya; HSC Photo-z Team; HSC Weak Lensing Team
2017-01-01
Deriving accurate photometric redshift (photo-z) probability distribution functions (PDFs) are crucial science components for current and upcoming large-scale surveys. We outline how rigorous Bayesian inference and machine learning can be combined to quickly derive joint photo-z PDFs to individual galaxies and their parent populations. Using the first 170 deg^2 of data from the ongoing Hyper Suprime-Cam survey, we demonstrate our method is able to generate accurate predictions and reliable credible intervals over ~370k high-quality redshifts. We then use galaxy-galaxy lensing to empirically validate our predicted photo-z's over ~14M objects, finding a robust signal.
A motor-driven syringe-type gradient maker for forming immobilized pH gradient gels.
Fawcett, J S; Sullivan, J V; Chidakel, B E; Chrambach, A
1988-05-01
A motor driven gradient maker based on the commercial model (Jule Inc., Trumbull, CT) was designed for immobilized pH gradient gels to provide small volumes, rapid stirring and delivery, strict volume and temperature control and air exclusion. The device was constructed and by a convenient procedure yields highly reproducible gradients either in solution or on polyacrylamide gels.
The Hyper Suprime-Cam software pipeline
Bosch, James; Armstrong, Robert; Bickerton, Steven; ...
2017-10-12
Here in this article, we describe the optical imaging data processing pipeline developed for the Subaru Telescope’s Hyper Suprime-Cam (HSC) instrument. The HSC Pipeline builds on the prototype pipeline being developed by the Large Synoptic Survey Telescope’s Data Management system, adding customizations for HSC, large-scale processing capabilities, and novel algorithms that have since been reincorporated into the LSST codebase. While designed primarily to reduce HSC Subaru Strategic Program (SSP) data, it is also the recommended pipeline for reducing general-observer HSC data. The HSC pipeline includes high-level processing steps that generate coadded images and science-ready catalogs as well as low-level detrendingmore » and image characterizations.« less
The Hyper Suprime-Cam software pipeline
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bosch, James; Armstrong, Robert; Bickerton, Steven
Here in this article, we describe the optical imaging data processing pipeline developed for the Subaru Telescope’s Hyper Suprime-Cam (HSC) instrument. The HSC Pipeline builds on the prototype pipeline being developed by the Large Synoptic Survey Telescope’s Data Management system, adding customizations for HSC, large-scale processing capabilities, and novel algorithms that have since been reincorporated into the LSST codebase. While designed primarily to reduce HSC Subaru Strategic Program (SSP) data, it is also the recommended pipeline for reducing general-observer HSC data. The HSC pipeline includes high-level processing steps that generate coadded images and science-ready catalogs as well as low-level detrendingmore » and image characterizations.« less
NASA Technical Reports Server (NTRS)
Daunton, N. G.; Tang, F.; Corcoran, M. L.; Fox, R. A.; Man, S. Y.
1998-01-01
In studies to determine the neurochemical mechanisms underlying adaptation to altered gravity we have investigated changes in neuropeptide levels in brainstem, cerebellum, hypothalamus, striatum, hippocampus, and cerebral cortex by radioimmunoassay. Fourteen days of hypergravity (hyperG) exposure resulted in significant increases in thyrotropin-releasing hormone (TRH) content of brainstem and cerebellum, but no changes in levels of other neuropeptides (beta-endorphin, cholecystokinin, met-enkephalin, somatostatin, and substance P) examined in these areas were found, nor were TRH levels significantly changed in any other brain regions investigated. The increase in TRH in brainstem and cerebellum was not seen in animals exposed only to the rotational component of centrifugation, suggesting that this increase was elicited by the alteration in the gravitational environment. The only other neuropeptide affected by chronic hyperG exposure was met-enkephalin, which was significantly decreased in the cerebral cortex. However, this alteration in met-enkephalin was found in both hyperG and rotation control animals and thus may be due to the rotational rather than the hyperG component of centrifugation. Thus it does not appear as if there is a generalized neuropeptide response to chronic hyperG following 2 weeks of exposure. Rather, there is an increase only of TRH and that occurs only in areas of the brain known to be heavily involved with vestibular inputs and motor control (both voluntary and autonomic). These results suggest that TRH may play a role in adaptation to altered gravity as it does in adaptation to altered vestibular input following labyrinthectomy, and in cerebellar and vestibular control of locomotion, as seen in studies of ataxia.
Biological Soil Crusts are Ecohydrological Hotspots in Dryland and Subhumid Regions
NASA Astrophysics Data System (ADS)
Belnap, J.; Chamizo de la Piedra, S.
2015-12-01
Dry and subhumid lands cover ~41% of Earth's terrestrial surface and biocrusts are often a dominant lifeform in these regions. These soil surface communities are known to be critical component in determining dryland hydrologic cycles by altering infiltration, runoff and evaporation processes; thus, they create a hotspot for ecohydrologic processes. Biocrust properties, such as micro-topography and the spatial distribution of overall cover and individual species, are believed to be the most influential; these properties vary with climate. Across the gradient from higher potential evapo-transpiration (PET; lower rainfall/higher temperatures such as hyper-arid deserts) to lower PET (higher rainfall/lower temperature such as semi-arid steppe), the external morphology of biocrusts generally goes from very smooth to highly roughened, with water residence time thus increasing as well. This change in PET is also accompanied by increasing species number and biomass; while these changes increase water absorption, they also clogs soil pores. It has long been believed that as biocrust roughness, species, and biomass increases, so does water infiltration and retention. However, the majority of these studies have occurred at a very small (< 2m2) spatial scale. Interesting, when done at the small scale, the current dogma holds: smooth biocrusts with low biomass decrease infiltration and increase runoff, whereas roughened ones with higher biomass increase infiltration. However, studies done at larger spatial scales across a gradient of roughness, species composition, and biomass, show biocrusts almost always increase infiltration and decrease runoff, regardless of biocrust characteristics. This finding runs counter to long-held views regarding the role of biocrusts in hydrologic cycles. These findings have large implications for modelling of soil moisture cycles in drylands under current and future conditions and the concept of ecohydrologic hotspots and hot moments in drylands.
NASA Astrophysics Data System (ADS)
Li, Lu; Stephenson, Randell; Clift, Peter D.
2016-11-01
Both the Canada Basin (a sub-basin within the Amerasia Basin) and southwest (SW) South China Sea preserve oceanic spreading centres and adjacent passive continental margins characterized by broad COT zones with hyper-extended continental crust. We have investigated strain accommodation in the regions immediately adjacent to the oceanic spreading centres in these two basins using 2-D backstripping subsidence reconstructions, coupled with forward modelling constrained by estimates of upper crustal extensional faulting. Modelling is better constrained in the SW South China Sea but our results for the Canada Basin are analogous. Depth-dependent extension is required to explain the great depth of both basins because only modest upper crustal faulting is observed. A weak lower crust in the presence of high heat flow and, accordingly, a lower crust that extends far more the upper crust are suggested for both basins. Extension in the COT may have continued even after seafloor spreading has ceased. The analogous results for the two basins considered are discussed in terms of (1) constraining the timing and distribution of crustal thinning along the respective continental margins, (2) defining the processes leading to hyper-extension of continental crust in the respective tectonic settings and (3) illuminating the processes that control hyper-extension in these basins and more generally.
Flow cytometric HyPer-based assay for hydrogen peroxide.
Lyublinskaya, O G; Antonov, S A; Gorokhovtsev, S G; Pugovkina, N A; Kornienko, Ju S; Ivanova, Ju S; Shatrova, A N; Aksenov, N D; Zenin, V V; Nikolsky, N N
2018-05-30
HyPer is a genetically encoded fluorogenic sensor for hydrogen peroxide which is generally used for the ratiometric imaging of H 2 O 2 fluxes in living cells. Here, we demonstrate the advantages of HyPer-based ratiometric flow cytometry assay for H 2 O 2 , by using K562 and human mesenchymal stem cell lines expressing HyPer. We show that flow cytometry analysis is suitable to detect HyPer response to submicromolar concentrations of extracellularly added H 2 O 2 that is much lower than concentrations addressed previously in the other HyPer-based assays (such as cell imaging or fluorimetry). Suggested technique is also much more sensitive to hydrogen peroxide than the widespread flow cytometry assay exploiting H 2 O 2 -reactive dye H 2 DCFDA and, contrary to the H 2 DCFDA-based assay, can be employed for the kinetic studies of H 2 O 2 utilization by cells, including measurements of the rate constants of H 2 O 2 removal. In addition, flow cytometry multi-parameter ratiometric measurements enable rapid and high-throughput detection of endogenously generated H 2 O 2 in different subpopulations of HyPer-expressing cells. To sum up, HyPer can be used in multi-parameter flow cytometry studies as a highly sensitive indicator of intracellular H 2 O 2 . Copyright © 2018. Published by Elsevier Inc.
Mardirossian, Narbe; Head-Gordon, Martin
2014-03-25
The limit of accuracy for semi-empirical generalized gradient approximation (GGA) density functionals is explored in this paper by parameterizing a variety of local, global hybrid, and range-separated hybrid functionals. The training methodology employed differs from conventional approaches in 2 main ways: (1) Instead of uniformly truncating the exchange, same-spin correlation, and opposite-spin correlation functional inhomogeneity correction factors, all possible fits up to fourth order are considered, and (2) Instead of selecting the optimal functionals based solely on their training set performance, the fits are validated on an independent test set and ranked based on their overall performance on the trainingmore » and test sets. The 3 different methods of accounting for exchange are trained both with and without dispersion corrections (DFT-D2 and VV10), resulting in a total of 491 508 candidate functionals. For each of the 9 functional classes considered, the results illustrate the trade-off between improved training set performance and diminished transferability. Since all 491 508 functionals are uniformly trained and tested, this methodology allows the relative strengths of each type of functional to be consistently compared and contrasted. Finally, the range-separated hybrid GGA functional paired with the VV10 nonlocal correlation functional emerges as the most accurate form for the present training and test sets, which span thermochemical energy differences, reaction barriers, and intermolecular interactions involving lighter main group elements.« less
Social functioning in major depressive disorder.
Kupferberg, Aleksandra; Bicks, Lucy; Hasler, Gregor
2016-10-01
Depression is associated with social risk factors, social impairments and poor social functioning. This paper gives an overview of these social aspects using the NIMH Research and Domain Criteria 'Systems for Social Processes' as a framework. In particular, it describes the bio-psycho-social interplay regarding impaired affiliation and attachment (social anhedonia, hyper-sensitivity to social rejection, competition avoidance, increased altruistic punishment), impaired social communication (impaired emotion recognition, diminished cooperativeness), impaired social perception (reduced empathy, theory-of-mind deficits) and their impact on social networks and the use of social media. It describes these dysfunctional social processes at the behavioural, neuroanatomical, neurochemical and genetic levels, and with respect to animal models of social stress. We discuss the diagnostic specificity of these social deficit constructs for depression and in relation to depression severity. Since social factors are importantly involved in the pathogenesis and the consequences of depression, such research will likely contribute to better diagnostic assessments and concepts, treatments and preventative strategies both at the diagnostic and transdiagnostic level. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.
CONSTRUCTION OF SCALAR AND VECTOR FINITE ELEMENT FAMILIES ON POLYGONAL AND POLYHEDRAL MESHES
GILLETTE, ANDREW; RAND, ALEXANDER; BAJAJ, CHANDRAJIT
2016-01-01
We combine theoretical results from polytope domain meshing, generalized barycentric coordinates, and finite element exterior calculus to construct scalar- and vector-valued basis functions for conforming finite element methods on generic convex polytope meshes in dimensions 2 and 3. Our construction recovers well-known bases for the lowest order Nédélec, Raviart-Thomas, and Brezzi-Douglas-Marini elements on simplicial meshes and generalizes the notion of Whitney forms to non-simplicial convex polygons and polyhedra. We show that our basis functions lie in the correct function space with regards to global continuity and that they reproduce the requisite polynomial differential forms described by finite element exterior calculus. We present a method to count the number of basis functions required to ensure these two key properties. PMID:28077939
CONSTRUCTION OF SCALAR AND VECTOR FINITE ELEMENT FAMILIES ON POLYGONAL AND POLYHEDRAL MESHES.
Gillette, Andrew; Rand, Alexander; Bajaj, Chandrajit
2016-10-01
We combine theoretical results from polytope domain meshing, generalized barycentric coordinates, and finite element exterior calculus to construct scalar- and vector-valued basis functions for conforming finite element methods on generic convex polytope meshes in dimensions 2 and 3. Our construction recovers well-known bases for the lowest order Nédélec, Raviart-Thomas, and Brezzi-Douglas-Marini elements on simplicial meshes and generalizes the notion of Whitney forms to non-simplicial convex polygons and polyhedra. We show that our basis functions lie in the correct function space with regards to global continuity and that they reproduce the requisite polynomial differential forms described by finite element exterior calculus. We present a method to count the number of basis functions required to ensure these two key properties.
38 CFR 14.500 - Functions and responsibilities of General Counsel.
Code of Federal Regulations, 2012 CFR
2012-07-01
... VETERANS AFFAIRS LEGAL SERVICES, GENERAL COUNSEL, AND MISCELLANEOUS CLAIMS § 14.500 Functions and... construction or application of laws, including statutes, regulations, and decisional as well as common law. (c...
2017-01-01
In this paper, we propose a new automatic hyperparameter selection approach for determining the optimal network configuration (network structure and hyperparameters) for deep neural networks using particle swarm optimization (PSO) in combination with a steepest gradient descent algorithm. In the proposed approach, network configurations were coded as a set of real-number m-dimensional vectors as the individuals of the PSO algorithm in the search procedure. During the search procedure, the PSO algorithm is employed to search for optimal network configurations via the particles moving in a finite search space, and the steepest gradient descent algorithm is used to train the DNN classifier with a few training epochs (to find a local optimal solution) during the population evaluation of PSO. After the optimization scheme, the steepest gradient descent algorithm is performed with more epochs and the final solutions (pbest and gbest) of the PSO algorithm to train a final ensemble model and individual DNN classifiers, respectively. The local search ability of the steepest gradient descent algorithm and the global search capabilities of the PSO algorithm are exploited to determine an optimal solution that is close to the global optimum. We constructed several experiments on hand-written characters and biological activity prediction datasets to show that the DNN classifiers trained by the network configurations expressed by the final solutions of the PSO algorithm, employed to construct an ensemble model and individual classifier, outperform the random approach in terms of the generalization performance. Therefore, the proposed approach can be regarded an alternative tool for automatic network structure and parameter selection for deep neural networks. PMID:29236718
Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects
Yuk, Simuck F.; Pitike, Krishna Chaitanya; Nakhmanson, Serge M.; ...
2017-03-03
Using the van der Waals density functional with C09 exchange (vdW-DF-C09), which has been applied to describing a wide range of dispersion-bound systems, we explore the physical properties of prototypical ABO 3 bulk ferroelectric oxides. Surprisingly, vdW-DF-C09 provides a superior description of experimental values for lattice constants, polarization and bulk moduli, exhibiting similar accuracy to the modified Perdew-Burke-Erzenhoff functional which was designed specifically for bulk solids (PBEsol). The relative performance of vdW-DF-C09 is strongly linked to the form of the exchange enhancement factor which, like PBEsol, tends to behave like the gradient expansion approximation for small reduced gradients. These resultsmore » suggest the general-purpose nature of the class of vdW-DF functionals, with particular consequences for predicting material functionality across dense and sparse matter regimes.« less
Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects
Yuk, Simuck F.; Pitike, Krishna Chaitanya; Nakhmanson, Serge M.; Eisenbach, Markus; Li, Ying Wai; Cooper, Valentino R.
2017-01-01
Using the van der Waals density functional with C09 exchange (vdW-DF-C09), which has been applied to describing a wide range of dispersion-bound systems, we explore the physical properties of prototypical ABO3 bulk ferroelectric oxides. Surprisingly, vdW-DF-C09 provides a superior description of experimental values for lattice constants, polarization and bulk moduli, exhibiting similar accuracy to the modified Perdew-Burke-Erzenhoff functional which was designed specifically for bulk solids (PBEsol). The relative performance of vdW-DF-C09 is strongly linked to the form of the exchange enhancement factor which, like PBEsol, tends to behave like the gradient expansion approximation for small reduced gradients. These results suggest the general-purpose nature of the class of vdW-DF functionals, with particular consequences for predicting material functionality across dense and sparse matter regimes. PMID:28256544
NASA Astrophysics Data System (ADS)
Mardirossian, Narbe; Head-Gordon, Martin
2015-02-01
A meta-generalized gradient approximation density functional paired with the VV10 nonlocal correlation functional is presented. The functional form is selected from more than 1010 choices carved out of a functional space of almost 1040 possibilities. Raw data come from training a vast number of candidate functional forms on a comprehensive training set of 1095 data points and testing the resulting fits on a comprehensive primary test set of 1153 data points. Functional forms are ranked based on their ability to reproduce the data in both the training and primary test sets with minimum empiricism, and filtered based on a set of physical constraints and an often-overlooked condition of satisfactory numerical precision with medium-sized integration grids. The resulting optimal functional form has 4 linear exchange parameters, 4 linear same-spin correlation parameters, and 4 linear opposite-spin correlation parameters, for a total of 12 fitted parameters. The final density functional, B97M-V, is further assessed on a secondary test set of 212 data points, applied to several large systems including the coronene dimer and water clusters, tested for the accurate prediction of intramolecular and intermolecular geometries, verified to have a readily attainable basis set limit, and checked for grid sensitivity. Compared to existing density functionals, B97M-V is remarkably accurate for non-bonded interactions and very satisfactory for thermochemical quantities such as atomization energies, but inherits the demonstrable limitations of existing local density functionals for barrier heights.
Wigner functions from the two-dimensional wavelet group.
Ali, S T; Krasowska, A E; Murenzi, R
2000-12-01
Following a general procedure developed previously [Ann. Henri Poincaré 1, 685 (2000)], here we construct Wigner functions on a phase space related to the similitude group in two dimensions. Since the group space in this case is topologically homeomorphic to the phase space in question, the Wigner functions so constructed may also be considered as being functions on the group space itself. Previously the similitude group was used to construct wavelets for two-dimensional image analysis; we discuss here the connection between the wavelet transform and the Wigner function.
Russell, Joshua; Pierce-Shimomura, Jonathan T.
2015-01-01
Background While many studies have assayed behavioral responses of animals to chemical, temperature and light gradients, fewer studies have assayed how animals respond to humidity gradients. Our novel humidity chamber has allowed us to study the neuromolecular basis of humidity sensation in the nematode Caenorhabditis elegans (Russell et al. 2014). New Method We describe an easy-to-construct, low-cost humidity chamber to assay the behavior of small animals, including soft-bodied invertebrates, in controlled humidity gradients. Results We show that our humidity-chamber design is amenable to soft-bodied invertebrates and can produce reliable gradients ranging 0.3–8% RH/cm across a 9-cm long x 7.5-cm wide gel-covered arena. Comparison with Existing Method(s) Previous humidity chambers relied on circulating dry and moist air to produce a steep humidity gradient in a small arena (e.g. Sayeed & Benzer, 1996). To remove the confound of moving air that may elicit mechanical responses independent of humidity responses, our chamber controlled the humidity gradient using reservoirs of hygroscopic materials. Additionally, to better observe the behavioral mechanisms for humidity responses, our chamber provided a larger arena. Although similar chambers have been described previously, these approaches were not suitable for soft-bodied invertebrates or for easy imaging of behavior because they required that animals move across wire or fabric mesh. Conclusion The general applicability of our humidity chamber overcomes limitations of previous designs and opens the door to observe the behavioral responses of soft-bodied invertebrates, including genetically powerful C. elegans and Drosophila larvae. PMID:25176025
Host conservatism, geography, and elevation in the evolution of a Neotropical moth radiation.
Jahner, Joshua P; Forister, Matthew L; Parchman, Thomas L; Smilanich, Angela M; Miller, James S; Wilson, Joseph S; Walla, Thomas R; Tepe, Eric J; Richards, Lora A; Quijano-Abril, Mario Alberto; Glassmire, Andrea E; Dyer, Lee A
2017-12-01
The origins of evolutionary radiations are often traced to the colonization of novel adaptive zones, including unoccupied habitats or unutilized resources. For herbivorous insects, the predominant mechanism of diversification is typically assumed to be a shift onto a novel lineage of host plants. However, other drivers of diversification are important in shaping evolutionary history, especially for groups residing in regions with complex geological histories. We evaluated the contributions of shifts in host plant clade, bioregion, and elevation to diversification in Eois (Lepidoptera: Geometridae), a hyper-diverse genus of moths found throughout the Neotropics. Relationships among 107 taxa were reconstructed using one mitochondrial and two nuclear genes. In addition, we used a genotyping-by-sequencing approach to generate 4641 SNPs for 137 taxa. Both datasets yielded similar phylogenetic histories, with relationships structured by host plant clade, bioregion, and elevation. While diversification of basal lineages often coincided with host clade shifts, more recent speciation events were more typically associated with shifts across bioregions or elevational gradients. Overall, patterns of diversification in Eois are consistent with the perspective that shifts across multiple adaptive zones synergistically drive diversification in hyper-diverse lineages. © 2017 The Author(s). Evolution © 2017 The Society for the Study of Evolution.
Nguyen, Cuong V.; Vrebalov, Julia T.; Gapper, Nigel E.; Zheng, Yi; Zhong, Silin; Fei, Zhangjun; Giovannoni, James J.
2014-01-01
Fruit ripening is the summation of changes rendering fleshy fruit tissues attractive and palatable to seed dispersing organisms. For example, sugar content is influenced by plastid numbers and photosynthetic activity in unripe fruit and later by starch and sugar catabolism during ripening. Tomato fruit are sinks of photosynthate, yet unripe green fruit contribute significantly to the sugars that ultimately accumulate in the ripe fruit. Plastid numbers and chlorophyll content are influenced by numerous environmental and genetic factors and are positively correlated with photosynthesis and photosynthate accumulation. GOLDEN2-LIKE (GLK) transcription factors regulate plastid and chlorophyll levels. Tomato (Solanum lycopersicum), like most plants, contains two GLKs (i.e., GLK1 and GLK2/UNIFORM). Mutant and transgene analysis demonstrated that these genes encode functionally similar peptides, though differential expression renders GLK1 more important in leaves, while GLK2 is predominant in fruit. A latitudinal gradient of GLK2 expression influences the typical uneven coloration of green and ripe wild-type fruit. Transcriptome profiling revealed a broader fruit gene expression gradient throughout development. The gradient influenced general ripening activities beyond plastid development and was consistent with the easily observed yet poorly studied ripening gradient present in tomato and many fleshy fruits. PMID:24510723
Methods for Trustworthy Design of On-Chip Bus Interconnect for General-Purpose Processors
2012-03-01
Technology Andrew Huang, was able to test the security properties of HyperTransport bus protocol on an Xbox [20]. In his research, he was able to...TRUSTWORTHY DESIGN OF ON -CHIP BUS INTERCONNECT FOR GENERAL-PURPOSE PROCESSORS by Jay F. Elson March 2012 Thesis Advisor: Ted Huffmire Second...AND DATES COVERED Master’s Thesis 4. TITLE AND SUBTITLE Methods for Trustworthy Design of On -Chip Bus Interconnect for General-Purpose Processors 5
Reid, J M; Gubitz, G J; Dai, D; Reidy, Y; Christian, C; Counsell, C; Dennis, M; Phillips, S J
2007-12-01
We aimed to validate a previously described six simple variable (SSV) model that was developed from acute and sub-acute stroke patients in our population that included hyper-acute stroke patients. A Stroke Outcome Study enrolled patients from 2001 to 2002. Functional status was assessed at 6 months using the modified Rankin Scale (mRS). SSV model performance was tested in our cohort. 538 acute ischaemic (87%) and haemorrhagic stroke patients were enrolled, 51% of whom presented to hospital within 6 h of symptom recognition. At 6 months post-stroke, 42% of patients had a good outcome (mRS < or = 2). Stroke patients presenting within 6 h of symptom recognition were significantly older with higher stroke severity. In our Stroke Outcome Study dataset, the SSV model had an area under the curve of 0.792 for 6 month outcomes and performed well for hyper-acute or post-acute stroke, age < or > or = 75 years, haemorrhagic or ischaemic stroke, men or women, moderate and severe stroke, but poorly for mild stroke. This study confirms the external validity of the SSV model in our hospital stroke population. This model can therefore be utilised for stratification in acute and hyper-acute stroke trials.
Mano, T; Iwase, K; Yoshimochi, I; Sawai, Y; Oda, N; Nishida, Y; Mokuno, T; Kotake, M; Nakai, A; Hayakawa, N
1995-08-01
Hyper- and hypothyroid states occasionally induce skeletal muscle dysfunction i.e. periodic paralysis and thyroid myopathy. The etiology of these diseases remains unclear, but several findings suggest that the catecholamine-beta-receptor-cAMP system or other messenger systems are disturbed in these diseases. In this context, we evaluated changes in the cyclic 3',5'-nucleotide metabolic enzyme, cyclic 3',5'-nucleotide phosphodiesterase (PDE) and calmodulin concentrations in skeletal muscles of hyper- and hypothyroid rats. Activities of cyclic AMP-PDE were low in skeletal muscle both from hyper- and hypothyroid rats, and calmodulin concentration was high in hyperthyroid and low in hypothyroid rats, as compared with normal rats. DE-52 column chromatographic analysis showed that the cGMP hydrolytic activity in peak I and the cAMP hydrolytic activity in peak II were decreased in hypothyroid rats, whereas cAMP hydrolytic activity in peak III was unchanged. The cAMP hydrolytic activity in peak III was decreased in hyperthyroid rats, but the activities in peaks I and II were unchanged. These findings indicate that cAMP and calmodulin may have some role in skeletal muscle function in the hyperthyroid state, and that cAMP and calmodulin-dependent metabolism may be suppressed in the hypothyroid state.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Xu, Guang-Ni; Yang, Kai; Xu, Zu-Peng
2012-07-01
Anisodamine, an antagonist of muscarinic acetylcholine receptors (mAChRs), has been used therapeutically to improve smooth muscle function, including microvascular, intestinal and airway spasms. Our previous studies have revealed that airway hyper-reactivity could be prevented by anisodamine. However, whether anisodamine prevents smoking-induced airway smooth muscle (ASM) cell proliferation remained unclear. In this study, a primary culture of rat ASM cells was used to evaluate an ASM phenotype through the ability of the cells to proliferate and express contractile proteins in response to cigarette smoke extract (CSE) and intervention of anisodamine. Our results showed that CSE resulted in an increase in cyclinmore » D1 expression concomitant with the G0/G1-to-S phase transition, and high expression of M2 and M3. Functional studies showed that tracheal hyper-contractility accompanied contractile marker α-SMA high-expression. These changes, which occur only after CSE stimulation, were prevented and reversed by anisodamine, and CSE-induced cyclin D1 expression was significantly inhibited by anisodamine and the specific inhibitor U0126, BAY11-7082 and LY294002. Thus, we concluded that the protective and reversal effects and mechanism of anisodamine on CSE-induced events might involve, at least partially, the ERK, Akt and NF-κB signaling pathways associated with cyclin D1 via mAChRs. Our study validated that anisodamine intervention on ASM cells may contribute to anti-remodeling properties other than bronchodilation. -- Highlights: ► CSE induces tracheal cell proliferation, hyper-contractility and α-SMA expression. ► Anisodamine reverses CSE-induced tracheal hyper-contractility and cell proliferation. ► ERK, PI3K, and NF-κB pathways and cyclin D1 contribute to the reversal effect.« less
Fontan-associated liver disease: Spectrum of US findings.
Bae, Jung Min; Jeon, Tae Yeon; Kim, Jung Sun; Kim, Seokhwi; Hwang, Sook Min; Yoo, So-Young; Kim, Ji Hye
2016-04-01
To describe ultrasonography (US) findings of Fontan-associated liver disease (FALD) and to determine whether screening US examinations can identify FALD before biochemical hepatic dysfunction. This retrospective study included 55 patients who underwent Fontan procedure over a 20-year period. Hepatobiliary US findings (n=55), CT or MRI findings (n=19), biochemical hepatic function tests (n=49), and histopathological results (n=4) were analyzed. Images were reviewed focusing on the hepatic parenchymal changes, presence of focal lesions, and signs of portal hypertension. Hepatic parenchymal changes (either heterogeneous echotexture or surface nodularity) evident on US were present in 67% (37/55) and showed positive correlation with the Fontan duration. Hyper-echoic lesions were noted in 35% (19/55) and showed a predilection for multiplicity, small size, right lobe location, and irregular margin on high-frequency transducer. These lesions were not demonstrated by CT or MRI or by low-frequency transducer. Histopathological results of targeted biopsy for hyper-echoic lesions revealed lesser degree of patchy sinusoidal and portal fibrosis than seen in cases with surface nodularity. Abnormal parenchymal enhancement was commonly seen with CT or MRI in 63% (12/19) and hypervascular nodules in 21% (4/19). Most patients (82%, 40/49) showed normal biochemical hepatic function tests, despite the presence of hepatic parenchymal changes on imaging. The common US findings of FALD included heterogeneous parenchymal echotexture, surface nodularity, and hyper-echoic lesions. We suggest that hyper-echoic lesions without surface nodularity detected by high-frequency transducer may represent the early stage of fibrosis. US examination may be useful for identifying the progression of FALD before biochemical hepatic dysfunction. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.
Agnati, Luigi F; Marcoli, Manuela; Maura, Guido; Woods, Amina; Guidolin, Diego
2018-06-01
Investigations of brain complex integrative actions should consider beside neural networks, glial, extracellular molecular, and fluid channels networks. The present paper proposes that all these networks are assembled into the brain hyper-network that has as fundamental components, the tetra-partite synapses, formed by neural, glial, and extracellular molecular networks. Furthermore, peri-synaptic astrocytic processes by modulating the perviousness of extracellular fluid channels control the signals impinging on the tetra-partite synapses. It has also been surmised that global signalling via astrocytes networks and highly pervasive signals, such as electromagnetic fields (EMFs), allow the appropriate integration of the various networks especially at crucial nodes level, the tetra-partite synapses. As a matter of fact, it has been shown that astrocytes can form gap-junction-coupled syncytia allowing intercellular communication characterised by a rapid and possibly long-distance transfer of signals. As far as the EMFs are concerned, the concept of broadcasted neuroconnectomics (BNC) has been introduced to describe highly pervasive signals involved in resetting the information handling of brain networks at various miniaturisation levels. In other words, BNC creates, thanks to the EMFs, generated especially by neurons, different assemblages among the various networks forming the brain hyper-network. Thus, it is surmised that neuronal networks are the "core components" of the brain hyper-network that has as special "nodes" the multi-facet tetra-partite synapses. Furthermore, it is suggested that investigations on the functional plasticity of multi-partite synapses in response to BNC can be the background for a new understanding and perhaps a new modelling of brain morpho-functional organisation and integrative actions.
Ciaramidaro, Angela; Bölte, Sven; Schlitt, Sabine; Hainz, Daniela; Poustka, Fritz; Weber, Bernhard; Bara, Bruno G; Freitag, Christine; Walter, Henrik
2015-01-01
Both schizophrenia (SCZ) and autism spectrum disorder (ASD) are characterized by mentalizing problems and associated neural dysfunction of the social brain. However, the deficits in mental state attribution are somehow opposed: Whereas patients with SCZ tend to over-attribute intentions to agents and physical events ("hyper-intentionality"), patients with autism treat people as devoid of intentions ("hypo-intentionality"). Here we aimed to investigate whether this hypo-hyper-intentionality hypothesis can be supported by neural evidence during a mentalizing task. Using functional magnetic resonance imaging (fMRI), we investigated the neural responses and functional connectivity during reading others intention. Scanning was performed in 23 individuals with ASD, 18 with paranoid SCZ and 23 gender and IQ matched control subjects. Both clinical groups showed reduced brain activation compared to controls for the contrast intentional vs physical information processing in left posterior superior temporal sulcus (pSTS) and ventral medial prefrontal cortex (vMPFC) for SCZ, and right pSTS in ASD. As predicted, these effects were caused in a group specific way: Relative increased activation for physical information processing in SCZ that was also correlated with positive PANNS score and relative decreased activation for intentional information processing in ASD. Additionally, we could demonstrate opposed connectivity patterns between the right pSTS and vMPFC in the clinical groups, ie, increased for SCZ, decreased for ASD. These findings represent opposed neural signatures in key regions of the social brain as predicted by the hyper-hypo-intentionality hypothesis. © The Author 2014. Published by Oxford University Press on behalf of the Maryland Psychiatric Research Center. All rights reserved. For permissions, please email: journals.permissions@oup.com.
The generalized Hill model: A kinematic approach towards active muscle contraction
NASA Astrophysics Data System (ADS)
Göktepe, Serdar; Menzel, Andreas; Kuhl, Ellen
2014-12-01
Excitation-contraction coupling is the physiological process of converting an electrical stimulus into a mechanical response. In muscle, the electrical stimulus is an action potential and the mechanical response is active contraction. The classical Hill model characterizes muscle contraction though one contractile element, activated by electrical excitation, and two non-linear springs, one in series and one in parallel. This rheology translates into an additive decomposition of the total stress into a passive and an active part. Here we supplement this additive decomposition of the stress by a multiplicative decomposition of the deformation gradient into a passive and an active part. We generalize the one-dimensional Hill model to the three-dimensional setting and constitutively define the passive stress as a function of the total deformation gradient and the active stress as a function of both the total deformation gradient and its active part. We show that this novel approach combines the features of both the classical stress-based Hill model and the recent active-strain models. While the notion of active stress is rather phenomenological in nature, active strain is micro-structurally motivated, physically measurable, and straightforward to calibrate. We demonstrate that our model is capable of simulating excitation-contraction coupling in cardiac muscle with its characteristic features of wall thickening, apical lift, and ventricular torsion.
Modeling human perception of orientation in altered gravity
Clark, Torin K.; Newman, Michael C.; Oman, Charles M.; Merfeld, Daniel M.; Young, Laurence R.
2015-01-01
Altered gravity environments, such as those experienced by astronauts, impact spatial orientation perception, and can lead to spatial disorientation and sensorimotor impairment. To more fully understand and quantify the impact of altered gravity on orientation perception, several mathematical models have been proposed. The utricular shear, tangent, and the idiotropic vector models aim to predict static perception of tilt in hyper-gravity. Predictions from these prior models are compared to the available data, but are found to systematically err from the perceptions experimentally observed. Alternatively, we propose a modified utricular shear model for static tilt perception in hyper-gravity. Previous dynamic models of vestibular function and orientation perception are limited to 1 G. Specifically, they fail to predict the characteristic overestimation of roll tilt observed in hyper-gravity environments. To address this, we have proposed a modification to a previous observer-type canal-otolith interaction model based upon the hypothesis that the central nervous system (CNS) treats otolith stimulation in the utricular plane differently than stimulation out of the utricular plane. Here we evaluate our modified utricular shear and modified observer models in four altered gravity motion paradigms: (a) static roll tilt in hyper-gravity, (b) static pitch tilt in hyper-gravity, (c) static roll tilt in hypo-gravity, and (d) static pitch tilt in hypo-gravity. The modified models match available data in each of the conditions considered. Our static modified utricular shear model and dynamic modified observer model may be used to help quantitatively predict astronaut perception of orientation in altered gravity environments. PMID:25999822
Martos-Sitcha, Juan Antonio; Mancera, Juan Miguel; Calduch-Giner, Josep Alvar; Yúfera, Manuel; Martínez-Rodríguez, Gonzalo; Pérez-Sánchez, Jaume
2016-01-01
A custom microarray was used for the transcriptomic profiling of liver, gills and hypothalamus in response to hypo- (38‰ → 5‰) or hyper- (38‰ → 55‰) osmotic challenges (7 days after salinity transfer) in gilthead sea bream (Sparus aurata) juveniles. The total number of differentially expressed genes was 777. Among them, 341 and 310 were differentially expressed in liver after hypo- and hyper-osmotic challenges, respectively. The magnitude of changes was lower in gills and hypothalamus with around 131 and 160 responsive genes in at least one osmotic stress condition, respectively. Regardless of tissue, a number of genes were equally regulated in either hypo- and hyper-osmotic challenges: 127 out of 524 in liver, 11 out of 131 in gills and 19 out of 160 in hypothalamus. In liver and gills, functional analysis of differentially expressed genes recognized two major clusters of overlapping canonical pathways that were mostly related to “Energy Metabolism” and “Oxidative Stress”. The later cluster was represented in all the analyzed tissues, including the hypothalamus, where differentially expressed genes related to “Cell and tissue architecture” were also over-represented. Overall the response for “Energy Metabolism” was the up-regulation, whereas for oxidative stress-related genes the type of response was highly dependent of tissue. These results support common and different osmoregulatory responses in the three analyzed tissues, helping to load new allostatic conditions or even to return to basal levels after hypo- or hyper-osmotic challenges according to the different physiological role of each tissue. PMID:26828928
Striatal hyper-sensitivity during stress in remitted individuals with recurrent depression
Admon, Roee; Holsen, Laura M.; Aizley, Harlyn; Remington, Anne; Whitfield-Gabrieli, Susan; Goldstein, Jill M.; Pizzagalli, Diego A.
2014-01-01
Background Increased sensitivity to stress and dysfunctional reward processing are two primary characteristics of Major Depressive Disorder (MDD) that may persist following remission. Preclinical work has established the pivotal role of the striatum in mediating both stress and reward responses. Human neuroimaging studies have corroborated these preclinical findings and highlighted striatal dysfunction in MDD in response to reward, but have yet to investigate striatal function during stress, in particular in individuals with recurrent depression. Methods Thirty three remitted individuals with a history of recurrent MDD (rMDD) and 35 matched healthy controls underwent a validated mild psychological stress task involving viewing of negative stimuli during fMRI. Cortisol and anxiety levels were assessed throughout scanning. Stress-related activation was investigated in three striatal regions: caudate, nucleus accumbens (Nacc), and putamen. Psychophysiological interaction (PPI) analyses probed connectivity of those regions with central structures of the neural stress circuitry, the amygdala and hippocampus. Results The task increased cortisol and anxiety levels, although to a greater extent in rMDD than healthy controls. In response to the negative stimuli, rMDD individuals, but not controls, also exhibited significantly potentiated caudate, Nacc, and putamen activations, as well as increased caudate-amygdala and caudate-hippocampus connectivity. Conclusions Findings highlight striatal hyper-sensitivity in response to a mild psychological stress in rMDD, as manifested by hyper-activation and hyper-connectivity with the amygdala and hippocampus. Striatal hyper-sensitivity during stress might thus constitute a trait mark of depression, providing a potential neural substrate for the interaction between stress and reward dysfunction in MDD. PMID:25483401
NASA Astrophysics Data System (ADS)
Duran, Volkan; Gençten, Azmi
2016-03-01
In this research the aim is to analyze quantum qutrit entanglements in a new perspective in terms of the reflection of n-dimensional sphere which can be depicted as the set of points equidistant from a fixed central point in three dimensional Euclidian Space which has also real and imaginary dimensions, that can also be depicted similarly as a two unit spheres having same centre in a dome-shaped projection. In order to analyze quantum qutrit entanglements: i- a new type of n dimensional hyper-sphere which is the extend version of Bloch Sphere to hyper-space, is defined ii- new operators and products such as rotation operator, combining and gluing products in this space are defined, iii-the entangled states are analyzed in terms of those products in order to reach a general formula to depict qutrit entanglements and some new patterns between spheres for the analysis of entanglement for different routes in a more simple way in a four dimensional time independent hypersphere.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Duran, Volkan, E-mail: volkan.duran8@gmail.com; Gençten, Azmi, E-mail: gencten@omu.edu.tr
In this research the aim is to analyze quantum qutrit entanglements in a new perspective in terms of the reflection of n-dimensional sphere which can be depicted as the set of points equidistant from a fixed central point in three dimensional Euclidian Space which has also real and imaginary dimensions, that can also be depicted similarly as a two unit spheres having same centre in a dome-shaped projection. In order to analyze quantum qutrit entanglements: i- a new type of n dimensional hyper-sphere which is the extend version of Bloch Sphere to hyper-space, is defined ii- new operators and productsmore » such as rotation operator, combining and gluing products in this space are defined, iii-the entangled states are analyzed in terms of those products in order to reach a general formula to depict qutrit entanglements and some new patterns between spheres for the analysis of entanglement for different routes in a more simple way in a four dimensional time independent hypersphere.« less
NASA Technical Reports Server (NTRS)
Sakuraba, K.; Tsuruda, Y.; Hanada, T.; Liou, J.-C.; Akahoshi, Y.
2007-01-01
This paper summarizes two new satellite impact tests conducted in order to investigate on the outcome of low- and hyper-velocity impacts on two identical target satellites. The first experiment was performed at a low velocity of 1.5 km/s using a 40-gram aluminum alloy sphere, whereas the second experiment was performed at a hyper-velocity of 4.4 km/s using a 4-gram aluminum alloy sphere by two-stage light gas gun in Kyushu Institute of Technology. To date, approximately 1,500 fragments from each impact test have been collected for detailed analysis. Each piece was analyzed based on the method used in the NASA Standard Breakup Model 2000 revision. The detailed analysis will conclude: 1) the similarity in mass distribution of fragments between low and hyper-velocity impacts encourages the development of a general-purpose distribution model applicable for a wide impact velocity range, and 2) the difference in area-to-mass ratio distribution between the impact experiments and the NASA standard breakup model suggests to describe the area-to-mass ratio by a bi-normal distribution.
Near Misses in Slot Machine Gambling Developed Through Generalization of Total Wins.
Belisle, Jordan; Dixon, Mark R
2016-06-01
The purpose of the present study was to evaluate the development of the near miss effect in slot machine gambling as a product of stimulus generalization from total wins. The study was conducted across two experiments. Twelve college students participated in the first experiment, which demonstrated that greater post-reinforcement pauses followed losing outcomes that were formally similar to total wins, relative to losing outcomes that were formally dissimilar [F (5, 7) = 5.24, p = .025] along a generalization gradient (R (2) = .96). Additionally, 11 out of 12 participants showed greater response latencies following near-misses than following total wins. Thirteen college students participated in the second experiment, which demonstrated that symbols that more saliently indicated a loss resulted in lower response latencies than functionally equivalent but visually dissimilar losing symbols [F (3, 10) = 15.50, p = .01]. A generalization gradient was observed across winning symbols (R (2) = .98), and an inverse of the gradient observed across winning symbols was observed across symbols that were the least formally similar (R (2) = .69). The present study replicates and extends previous research on near misses in slot machine gambling, and provides discussion around the clinical utility of such findings on the prevention of problem gambling.
Refined discrete and empirical horizontal gradients in VLBI analysis
NASA Astrophysics Data System (ADS)
Landskron, Daniel; Böhm, Johannes
2018-02-01
Missing or incorrect consideration of azimuthal asymmetry of troposphere delays is a considerable error source in space geodetic techniques such as Global Navigation Satellite Systems (GNSS) or Very Long Baseline Interferometry (VLBI). So-called horizontal troposphere gradients are generally utilized for modeling such azimuthal variations and are particularly required for observations at low elevation angles. Apart from estimating the gradients within the data analysis, which has become common practice in space geodetic techniques, there is also the possibility to determine the gradients beforehand from different data sources than the actual observations. Using ray-tracing through Numerical Weather Models (NWMs), we determined discrete gradient values referred to as GRAD for VLBI observations, based on the standard gradient model by Chen and Herring (J Geophys Res 102(B9):20489-20502, 1997. https://doi.org/10.1029/97JB01739) and also for new, higher-order gradient models. These gradients are produced on the same data basis as the Vienna Mapping Functions 3 (VMF3) (Landskron and Böhm in J Geod, 2017.https://doi.org/10.1007/s00190-017-1066-2), so they can also be regarded as the VMF3 gradients as they are fully consistent with each other. From VLBI analyses of the Vienna VLBI and Satellite Software (VieVS), it becomes evident that baseline length repeatabilities (BLRs) are improved on average by 5% when using a priori gradients GRAD instead of estimating the gradients. The reason for this improvement is that the gradient estimation yields poor results for VLBI sessions with a small number of observations, while the GRAD a priori gradients are unaffected from this. We also developed a new empirical gradient model applicable for any time and location on Earth, which is included in the Global Pressure and Temperature 3 (GPT3) model. Although being able to describe only the systematic component of azimuthal asymmetry and no short-term variations at all, even these empirical a priori gradients slightly reduce (improve) the BLRs with respect to the estimation of gradients. In general, this paper addresses that a priori horizontal gradients are actually more important for VLBI analysis than previously assumed, as particularly the discrete model GRAD as well as the empirical model GPT3 are indeed able to refine and improve the results.
What energy functions can be minimized via graph cuts?
Kolmogorov, Vladimir; Zabih, Ramin
2004-02-01
In the last few years, several new algorithms based on graph cuts have been developed to solve energy minimization problems in computer vision. Each of these techniques constructs a graph such that the minimum cut on the graph also minimizes the energy. Yet, because these graph constructions are complex and highly specific to a particular energy function, graph cuts have seen limited application to date. In this paper, we give a characterization of the energy functions that can be minimized by graph cuts. Our results are restricted to functions of binary variables. However, our work generalizes many previous constructions and is easily applicable to vision problems that involve large numbers of labels, such as stereo, motion, image restoration, and scene reconstruction. We give a precise characterization of what energy functions can be minimized using graph cuts, among the energy functions that can be written as a sum of terms containing three or fewer binary variables. We also provide a general-purpose construction to minimize such an energy function. Finally, we give a necessary condition for any energy function of binary variables to be minimized by graph cuts. Researchers who are considering the use of graph cuts to optimize a particular energy function can use our results to determine if this is possible and then follow our construction to create the appropriate graph. A software implementation is freely available.
Womack, James C; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton
2016-11-28
Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.
NASA Astrophysics Data System (ADS)
Womack, James C.; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton
2016-11-01
Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.
Li, Chenzhe; Thampy, Sampreetha; Zheng, Yongping; Kweun, Joshua M; Ren, Yixin; Chan, Julia Y; Kim, Hanchul; Cho, Maenghyo; Kim, Yoon Young; Hsu, Julia W P; Cho, Kyeongjae
2016-03-31
Understanding and effectively predicting the thermal stability of ternary transition metal oxides with heavy elements using first principle simulations are vital for understanding performance of advanced materials. In this work, we have investigated the thermal stability of mullite RMn2O5 (R = Bi, Pr, Sm, or Gd) structures by constructing temperature phase diagrams using an efficient mixed generalized gradient approximation (GGA) and the GGA + U method. Simulation predicted stability regions without corrections on heavy elements show a 4-200 K underestimation compared to our experimental results. We have found the number of d/f electrons in the heavy elements shows a linear relationship with the prediction deviation. Further correction on the strongly correlated electrons in heavy elements could significantly reduce the prediction deviations. Our corrected simulation results demonstrate that further correction of R-site elements in RMn2O5 could effectively reduce the underestimation of the density functional theory-predicted decomposition temperature to within 30 K. Therefore, it could produce an accurate thermal stability prediction for complex ternary transition metal oxide compounds with heavy elements.
Li, Wenjing; Zhang, Jingjing; Xue, Zhongxin; Wang, Jingming; Jiang, Lei
2018-01-24
Manipulation of gas bubble behaviors is crucial for gas bubble-related applications. Generally, the manipulation of gas bubble behaviors generally takes advantage of their buoyancy force. It is very difficult to control the transportation of gas bubbles in a specific direction. Several approaches have been developed to collect and transport bubbles in aqueous media; however, most reliable and effective manipulation of gas bubbles in aqueous media occurs on the interfaces with simple shapes (i.e., cylinder and cone shapes). Reliable strategies for spontaneous and directional transport of gas bubbles on interfaces with complex shapes remain enormously challenging. Herein, a type of 3D gradient porous network was constructed on copper wire interfaces, with rectangle, wave, and helix shapes. The superhydrophobic copper wires were immersed in water, and continuous and stable gas films then formed on the interfaces. With the assistance of the Laplace pressure gradient between two bubbles, gas bubbles (including microscopic gas bubbles) in the aqueous media were subsequently transported, continuously and directionally, on the copper wires with complex shapes. The small gas bubbles always moved to the larger ones.
Revisiting the Least-squares Procedure for Gradient Reconstruction on Unstructured Meshes
NASA Technical Reports Server (NTRS)
Mavriplis, Dimitri J.; Thomas, James L. (Technical Monitor)
2003-01-01
The accuracy of the least-squares technique for gradient reconstruction on unstructured meshes is examined. While least-squares techniques produce accurate results on arbitrary isotropic unstructured meshes, serious difficulties exist for highly stretched meshes in the presence of surface curvature. In these situations, gradients are typically under-estimated by up to an order of magnitude. For vertex-based discretizations on triangular and quadrilateral meshes, and cell-centered discretizations on quadrilateral meshes, accuracy can be recovered using an inverse distance weighting in the least-squares construction. For cell-centered discretizations on triangles, both the unweighted and weighted least-squares constructions fail to provide suitable gradient estimates for highly stretched curved meshes. Good overall flow solution accuracy can be retained in spite of poor gradient estimates, due to the presence of flow alignment in exactly the same regions where the poor gradient accuracy is observed. However, the use of entropy fixes has the potential for generating large but subtle discretization errors.
Szulcek, Robert; van Bezu, Jan; Boonstra, Johannes; van Loon, Jack J. W. A.; van Nieuw Amerongen, Geerten P.
2015-01-01
Background Endothelial cells (EC) guard vascular functions by forming a dynamic barrier throughout the vascular system that sensitively adapts to ‘classical’ biomechanical forces, such as fluid shear stress and hydrostatic pressure. Alterations in gravitational forces might similarly affect EC integrity, but remain insufficiently studied. Methods In an unique approach, we utilized Electric Cell-substrate Impedance Sensing (ECIS) in the gravity-simulators at the European Space Agency (ESA) to study dynamic responses of human EC to simulated micro- and hyper-gravity as well as to classical forces. Results Short intervals of micro- or hyper-gravity evoked distinct endothelial responses. Stimulated micro-gravity led to decreased endothelial barrier integrity, whereas hyper-gravity caused sustained barrier enhancement by rapid improvement of cell-cell integrity, evidenced by a significant junctional accumulation of VE-cadherin (p = 0.011), significant enforcement of peripheral F-actin (p = 0.008) and accompanied by a slower enhancement of cell-matrix interactions. The hyper-gravity triggered EC responses were force dependent and nitric-oxide (NO) mediated showing a maximal resistance increase of 29.2±4.8 ohms at 2g and 60.9±6.2 ohms at 4g vs. baseline values that was significantly suppressed by NO blockage (p = 0.011). Conclusion In conclusion, short-term application of hyper-gravity caused a sustained improvement of endothelial barrier integrity, whereas simulated micro-gravity weakened the endothelium. In clear contrast, classical forces of shear stress and hydrostatic pressure induced either short-lived or no changes to the EC barrier. Here, ECIS has proven a powerful tool to characterize subtle and distinct EC gravity-responses due to its high temporal resolution, wherefore ECIS has a great potential for the study of gravity-responses such as in real space flights providing quantitative assessment of a variety of cell biological characteristics of any adherent growing cell type in an automated and continuous fashion. PMID:26637177
Kamizato, Kota; Marsala, Silvia; Navarro, Michael; Kakinohana, Manabu; Platoshyn, Oleksandr; Yoshizumi, Tetsuya; Lukacova, Nadezda; Wancewicz, Ed; Powers, Berit; Mazur, Curt; Marsala, Martin
2018-07-01
The loss of local spinal glycine-ergic tone has been postulated as one of the mechanisms contributing to the development of spinal injury-induced spasticity. In our present study using a model of spinal transection-induced muscle spasticity, we characterize the effect of spinally-targeted GlyT2 downregulation once initiated at chronic stages after induction of spasticity in rats. In animals with identified hyper-reflexia, the anti-spasticity effect was studied after intrathecal treatment with: i) glycine, ii) GlyT2 inhibitor (ALX 1393), and iii) GlyT2 antisense oligonucleotide (GlyT2-ASO). Administration of glycine and GlyT2 inhibitor led to significant suppression of spasticity lasting for a minimum of 45-60 min. Treatment with GlyT2-ASO led to progressive suppression of muscle spasticity seen at 2-3 weeks after treatment. Over the subsequent 4-12 weeks, however, the gradual appearance of profound spinal hyper-reflexia was seen. This was presented as spontaneous or slight-tactile stimulus-evoked muscle oscillations in the hind limbs (but not in upper limbs) with individual hyper-reflexive episodes lasting between 3 and 5 min. Chronic hyper-reflexia induced by GlyT2-ASO treatment was effectively blocked by intrathecal glycine. Immunofluorescence staining and Q-PCR analysis of the lumbar spinal cord region showed a significant (>90%) decrease in GlyT2 mRNA and GlyT2 protein. These data demonstrate that spinal GlyT2 downregulation provides only a time-limited therapeutic benefit and that subsequent loss of glycine vesicular synthesis resulting from chronic GlyT2 downregulation near completely eliminates the tonic glycine-ergic activity and is functionally expressed as profound spinal hyper-reflexia. These characteristics also suggest that chronic spinal GlyT2 silencing may be associated with pro-nociceptive activity. Copyright © 2018 Elsevier Inc. All rights reserved.
Great bowerbirds create theaters with forced perspective when seen by their audience.
Endler, John A; Endler, Lorna C; Doerr, Natalie R
2010-09-28
Birds in the infraorder Corvida [1] (ravens, jays, bowerbirds) are renowned for their cognitive abilities [2-4], which include advanced problem solving with spatial inference [4-8], tool use and complex constructions [7-10], and bowerbird cognitive ability is associated with mating success [11]. Great bowerbird males construct bowers with a long avenue from within which females view the male displaying over his bower court [10]. This predictable audience viewpoint is a prerequisite for forced (altered) visual perspective [12-14]. Males make courts with gray and white objects that increase in size with distance from the avenue entrance. This gradient creates forced visual perspective for the audience; court object visual angles subtended on the female viewer's eye are more uniform than if the objects were placed at random. Forced perspective can yield false perception of size and distance [12, 15]. After experimental reversal of their size-distance gradient, males recovered their gradients within 3 days, and there was little difference from the original after 2 wks. Variation among males in their forced-perspective quality as seen by their female audience indicates that visual perspective is available for use in mate choice, perhaps as an indicator of cognitive ability. Regardless of function, the creation and maintenance of forced visual perspective is clearly important to great bowerbirds and suggests the possibility of a previously unknown dimension of bird cognition. Copyright © 2010 Elsevier Ltd. All rights reserved.
Matsunami, K; Satake, H; Konishi, T
1998-07-01
Sustained hyper-gravity acceleration, particularly along the long axis of the body of animals or man (Gz), produces significant mal-effects on subjects, and hence it has been well studied, The most common syndromes of Gz application were cardio-vascular de-conditioning, and black-out, red-out, and loss of consciousness, which finally lead subjects into death. However, in most previous studies, the duration of applied Gz was rather short. In the present experiments, we can use longer duration of 1000 seconds. In addition, recent technological innovation make it possible to record directly local cerebral blood flow at a target cortical area with a Laser Doppler flow meter. We used this innovated method to measure local cerebral blood flow of rats in relation to visual evoked potentials (VEPs) under hyper-Gz acceleration. Also we recorded cardio-vascular parameters like heart rate from ECG, systolic and diastolic blood pressure and correlated them with cerebral blood flow and VEPs.
Palmer, Todd M.; Charles, Grace K.; Helgen, Kristofer M.; Kinyua, Stephen N.; Maclean, Janet E.; Turner, Benjamin L.; Young, Hillary S.
2013-01-01
Large mammalian herbivores (LMH) strongly influence plant communities, and these effects can propagate indirectly throughout food webs. Most existing large-scale manipulations of LMH presence/absence consist of a single exclusion treatment, and few are replicated across environmental gradients. Thus, important questions remain about the functional roles of different LMH, and how these roles depend on abiotic context. In September 2008, we constructed a series of 1-ha herbivore-exclusion plots across a 20-km rainfall gradient in central Kenya. Dubbed "UHURU" (Ungulate Herbivory Under Rainfall Uncertainty), this experiment aims to illuminate the ecological effects of three size classes of LMH, and how rainfall regimes shape the direction and magnitude of these effects. UHURU consists of four treatments: total-exclusion (all ungulate herbivores), mesoherbivore-exclusion (LMH >120-cm tall), megaherbivore-exclusion (elephants and giraffes), and unfenced open plots. Each treatment is replicated three times at three locations (“sites”) along the rainfall gradient: low (440 mm/year), intermediate (580 mm/year), and high (640 mm/year). There was limited variation across sites in soil attributes and LMH activity levels. Understory-plant cover was greater in plots without mesoherbivores, but did not respond strongly to the exclusion of megaherbivores, or to the additional exclusion of dik-dik and warthog. Eleven of the thirteen understory plant species that responded significantly to exclusion treatment were more common in exclusion plots than open ones. Significant interactions between site and treatment on plant communities, although uncommon, suggested that differences between treatments may be greater at sites with lower rainfall. Browsers reduced densities of several common overstory species, along with growth rates of the three dominant Acacia species. Small-mammal densities were 2–3 times greater in total-exclusion than in open plots at all sites. Although we expect patterns to become clearer with time, results from 2008–2012 show that the effects of excluding successively smaller-bodied subsets of the LMH community are generally non-additive for a given response variable, and inconsistent across response variables, indicating that the different LMH size classes are not functionally redundant. Several response variables showed significant treatment-by-site interactions, suggesting that the nature of plant-herbivore interactions can vary across restricted spatial scales. PMID:23405122
Goheen, Jacob R; Palmer, Todd M; Charles, Grace K; Helgen, Kristofer M; Kinyua, Stephen N; Maclean, Janet E; Turner, Benjamin L; Young, Hillary S; Pringle, Robert M
2013-01-01
Large mammalian herbivores (LMH) strongly influence plant communities, and these effects can propagate indirectly throughout food webs. Most existing large-scale manipulations of LMH presence/absence consist of a single exclusion treatment, and few are replicated across environmental gradients. Thus, important questions remain about the functional roles of different LMH, and how these roles depend on abiotic context. In September 2008, we constructed a series of 1-ha herbivore-exclusion plots across a 20-km rainfall gradient in central Kenya. Dubbed "UHURU" (Ungulate Herbivory Under Rainfall Uncertainty), this experiment aims to illuminate the ecological effects of three size classes of LMH, and how rainfall regimes shape the direction and magnitude of these effects. UHURU consists of four treatments: total-exclusion (all ungulate herbivores), mesoherbivore-exclusion (LMH >120-cm tall), megaherbivore-exclusion (elephants and giraffes), and unfenced open plots. Each treatment is replicated three times at three locations ("sites") along the rainfall gradient: low (440 mm/year), intermediate (580 mm/year), and high (640 mm/year). There was limited variation across sites in soil attributes and LMH activity levels. Understory-plant cover was greater in plots without mesoherbivores, but did not respond strongly to the exclusion of megaherbivores, or to the additional exclusion of dik-dik and warthog. Eleven of the thirteen understory plant species that responded significantly to exclusion treatment were more common in exclusion plots than open ones. Significant interactions between site and treatment on plant communities, although uncommon, suggested that differences between treatments may be greater at sites with lower rainfall. Browsers reduced densities of several common overstory species, along with growth rates of the three dominant Acacia species. Small-mammal densities were 2-3 times greater in total-exclusion than in open plots at all sites. Although we expect patterns to become clearer with time, results from 2008-2012 show that the effects of excluding successively smaller-bodied subsets of the LMH community are generally non-additive for a given response variable, and inconsistent across response variables, indicating that the different LMH size classes are not functionally redundant. Several response variables showed significant treatment-by-site interactions, suggesting that the nature of plant-herbivore interactions can vary across restricted spatial scales.
NASA Astrophysics Data System (ADS)
Du, Fang-Fang; Deng, Fu-Guo; Long, Gui-Lu
2016-11-01
Entanglement concentration protocol (ECP) is used to extract the maximally entangled states from less entangled pure states. Here we present a general hyperconcentration protocol for two-photon systems in partially hyperentangled Bell states that decay with the interrelation between the time-bin and the polarization degrees of freedom (DOFs), resorting to an input-output process with respect to diamond nitrogen-vacancy centers coupled to resonators. We show that the resource can be utilized sufficiently and the success probability is largely improved by iteration of the hyper-ECP process. Besides, our hyper-ECP can be directly extended to concentrate nonlocal partially hyperentangled N-photon Greenberger-Horne-Zeilinger states, and the success probability remains unchanged with the growth of the number of photons. Moreover, the time-bin entanglement is a useful DOF and it only requires one path for transmission, which means it not only economizes on a large amount of quantum resources but also relaxes from the path-length dispersion in long-distance quantum communication.
Du, Fang-Fang; Deng, Fu-Guo; Long, Gui-Lu
2016-01-01
Entanglement concentration protocol (ECP) is used to extract the maximally entangled states from less entangled pure states. Here we present a general hyperconcentration protocol for two-photon systems in partially hyperentangled Bell states that decay with the interrelation between the time-bin and the polarization degrees of freedom (DOFs), resorting to an input-output process with respect to diamond nitrogen-vacancy centers coupled to resonators. We show that the resource can be utilized sufficiently and the success probability is largely improved by iteration of the hyper-ECP process. Besides, our hyper-ECP can be directly extended to concentrate nonlocal partially hyperentangled N-photon Greenberger-Horne-Zeilinger states, and the success probability remains unchanged with the growth of the number of photons. Moreover, the time-bin entanglement is a useful DOF and it only requires one path for transmission, which means it not only economizes on a large amount of quantum resources but also relaxes from the path-length dispersion in long-distance quantum communication. PMID:27804973
Parameterization of subgrid-scale stress by the velocity gradient tensor
NASA Technical Reports Server (NTRS)
Lund, Thomas S.; Novikov, E. A.
1993-01-01
The objective of this work is to construct and evaluate subgrid-scale models that depend on both the strain rate and the vorticity. This will be accomplished by first assuming that the subgrid-scale stress is a function of the strain and rotation rate tensors. Extensions of the Caley-Hamilton theorem can then be used to write the assumed functional dependence explicitly in the form of a tensor polynomial involving products of the strain and rotation rates. Finally, use of this explicit expression as a subgrid-scale model will be evaluated using direct numerical simulation data for homogeneous, isotropic turbulence.
The Educator's Guide to HyperCard and HyperTalk. A Longwood Professional Book.
ERIC Educational Resources Information Center
Culp, George H.; Watkins, G. Morgan
This book and three accompanying floppy disks introduce HyperCard 2.1 for the Macintosh microcomputer and its programming component, HyperTalk, to educators. The first four chapters introduce the basics of HyperCard, including its structure, which is based on a hierarchy of units; the use of tools and graphics; and ways of linking information…
Probable alpha and 14C cluster emission from hyper Ac nuclei
NASA Astrophysics Data System (ADS)
Santhosh, K. P.
2013-10-01
A systematic study on the probability for the emission of 4He and 14C cluster from hyper {Λ/207-234}Ac and non-strange normal 207-234Ac nuclei are performed for the first time using our fission model, the Coulomb and proximity potential model (CPPM). The predicted half lives show that hyper {Λ/207-234}Ac nuclei are unstable against 4He emission and 14C emission from hyper {Λ/217-228}Ac are favorable for measurement. Our study also show that hyper {Λ/207-234}Ac are stable against hyper {Λ/4}He and {Λ/14}C emission. The role of neutron shell closure ( N = 126) in hyper {Λ/214}Fr daughter and role of proton/neutron shell closure ( Z ≈ 82, N = 126) in hyper {Λ/210}Bi daughter are also revealed. As hyper-nuclei decays to normal nuclei by mesonic/non-mesonic decay and since most of the predicted half lives for 4He and 14C emission from normal Ac nuclei are favourable for measurement, we presume that alpha and 14C cluster emission from hyper Ac nuclei can be detected in laboratory in a cascade (two-step) process.
Functional consequences of realistic biodiversity changes in a marine ecosystem
Bracken, Matthew E. S.; Friberg, Sara E.; Gonzalez-Dorantes, Cirse A.; Williams, Susan L.
2008-01-01
Declines in biodiversity have prompted concern over the consequences of species loss for the goods and services provided by natural ecosystems. However, relatively few studies have evaluated the functional consequences of realistic, nonrandom changes in biodiversity. Instead, most designs have used randomly selected assemblages from a local species pool to construct diversity gradients. It is therefore difficult, based on current evidence, to predict the functional consequences of realistic declines in biodiversity. In this study, we used tide pool microcosms to demonstrate that the effects of real-world changes in biodiversity may be very different from those of random diversity changes. Specifically, we measured the relationship between the diversity of a seaweed assemblage and its ability to use nitrogen, a key limiting nutrient in nearshore marine systems. We quantified nitrogen uptake using both experimental and model seaweed assemblages and found that natural increases in diversity resulted in enhanced rates of nitrogen use, whereas random diversity changes had no effect on nitrogen uptake. Our results suggest that understanding the real-world consequences of declining biodiversity will require addressing changes in species performance along natural diversity gradients and understanding the relationships between species' susceptibility to loss and their contributions to ecosystem functioning. PMID:18195375
NASA Astrophysics Data System (ADS)
Wang, Meihua; Li, Rongshuai; Zhang, Wenze
2017-11-01
Multi-function construction platforms (MCPs) as an “old construction technology, new application” of the building facade construction equipment, its efforts to reduce labour intensity, improve labour productivity, ensure construction safety, shorten the duration of construction and other aspects of the effect are significant. In this study, the functional analysis of the multi-function construction platforms is carried out in the construction of the assembly building. Based on the general finite element software ANSYS, the static calculation and dynamic characteristics analysis of the MCPs structure are analysed, the simplified finite element model is constructed, and the selection of the unit, the processing and solution of boundary are under discussion and research. The maximum deformation value, the maximum stress value and the structural dynamic characteristic model are obtained. The dangerous parts of the platform structure are analysed, too. Multiple types of MCPs under engineering construction conditions are calculated, so as to put forward the rationalization suggestions for engineering application of the MCPs.
Additive Manufacturing of Biomedical Constructs with Biomimetic Structural Organizations.
Li, Xiao; He, Jiankang; Zhang, Weijie; Jiang, Nan; Li, Dichen
2016-11-09
Additive manufacturing (AM), sometimes called three-dimensional (3D) printing, has attracted a lot of research interest and is presenting unprecedented opportunities in biomedical fields, because this technology enables the fabrication of biomedical constructs with great freedom and in high precision. An important strategy in AM of biomedical constructs is to mimic the structural organizations of natural biological organisms. This can be done by directly depositing cells and biomaterials, depositing biomaterial structures before seeding cells, or fabricating molds before casting biomaterials and cells. This review organizes the research advances of AM-based biomimetic biomedical constructs into three major directions: 3D constructs that mimic tubular and branched networks of vasculatures; 3D constructs that contains gradient interfaces between different tissues; and 3D constructs that have different cells positioned to create multicellular systems. Other recent advances are also highlighted, regarding the applications of AM for organs-on-chips, AM-based micro/nanostructures, and functional nanomaterials. Under this theme, multiple aspects of AM including imaging/characterization, material selection, design, and printing techniques are discussed. The outlook at the end of this review points out several possible research directions for the future.
Pescador, David S.; de Bello, Francesco; Valladares, Fernando; Escudero, Adrián
2015-01-01
Assessing changes in plant functional traits along gradients is useful for understanding the assembly of communities and their response to global and local environmental drivers. However, these changes may reflect the effects of species composition (i.e. composition turnover), species abundance (i.e. species interaction), and intra-specific trait variability (i.e. species plasticity). In order to determine the relevance of the latter, trait variation can be assessed under minimal effects of composition turnover. Nine sampling sites were established along an altitudinal gradient in a Mediterranean high mountain grassland community with low composition turnover (Madrid, Spain; 1940 m–2419 m). Nine functional traits were also measured for ten individuals of around ten plant species at each site, for a total of eleven species across all sites. The relative importance of different sources of variability (within/between site and intra-/inter-specific functional diversity) and trait variation at species and community level along the considered gradients were explored. We found a weak individual species response to altitude and other environmental variables although in some cases, individuals were smaller and leaves were thicker at higher elevations. This lack of species response was most likely due to greater within- than between-site species variation. At the community level, inter-specific functional diversity was generally greater than the intra-specific component except for traits linked to leaf element content (leaf carbon content, leaf nitrogen content, δ13C and δ15N). Inter-specific functional diversity decreased with lower altitude for four leaf traits (specific leaf area, leaf dry matter content, δ13C and δ15N), suggesting trait convergence between species at lower elevations, where water shortage may have a stronger environmental filtering effect than colder temperatures at higher altitudes. Our results suggest that, within a vegetation type encompassing various environmental gradients, both, changes in species abundance and intra-specific trait variability adjust for the community functional response to environmental changes. PMID:25774532
Pescador, David S; de Bello, Francesco; Valladares, Fernando; Escudero, Adrián
2015-01-01
Assessing changes in plant functional traits along gradients is useful for understanding the assembly of communities and their response to global and local environmental drivers. However, these changes may reflect the effects of species composition (i.e. composition turnover), species abundance (i.e. species interaction), and intra-specific trait variability (i.e. species plasticity). In order to determine the relevance of the latter, trait variation can be assessed under minimal effects of composition turnover. Nine sampling sites were established along an altitudinal gradient in a Mediterranean high mountain grassland community with low composition turnover (Madrid, Spain; 1940 m-2419 m). Nine functional traits were also measured for ten individuals of around ten plant species at each site, for a total of eleven species across all sites. The relative importance of different sources of variability (within/between site and intra-/inter-specific functional diversity) and trait variation at species and community level along the considered gradients were explored. We found a weak individual species response to altitude and other environmental variables although in some cases, individuals were smaller and leaves were thicker at higher elevations. This lack of species response was most likely due to greater within- than between-site species variation. At the community level, inter-specific functional diversity was generally greater than the intra-specific component except for traits linked to leaf element content (leaf carbon content, leaf nitrogen content, δ13C and δ15N). Inter-specific functional diversity decreased with lower altitude for four leaf traits (specific leaf area, leaf dry matter content, δ13C and δ15N), suggesting trait convergence between species at lower elevations, where water shortage may have a stronger environmental filtering effect than colder temperatures at higher altitudes. Our results suggest that, within a vegetation type encompassing various environmental gradients, both, changes in species abundance and intra-specific trait variability adjust for the community functional response to environmental changes.
Plant pollinator networks along a gradient of urbanisation.
Geslin, Benoît; Gauzens, Benoit; Thébault, Elisa; Dajoz, Isabelle
2013-01-01
Habitat loss is one of the principal causes of the current pollinator decline. With agricultural intensification, increasing urbanisation is among the main drivers of habitat loss. Consequently studies focusing on pollinator community structure along urbanisation gradients have increased in recent years. However, few studies have investigated how urbanisation affects plant-pollinator interaction networks. Here we assessed modifications of plant-pollinator interactions along an urbanisation gradient based on the study of their morphological relationships. Along an urbanisation gradient comprising four types of landscape contexts (semi-natural, agricultural, suburban, urban), we set up experimental plant communities containing two plant functional groups differing in their morphological traits ("open flowers" and "tubular flowers"). Insect visitations on these communities were recorded to build plant-pollinator networks. A total of 17 857 interactions were recorded between experimental plant communities and flower-visitors. The number of interactions performed by flower-visitors was significantly lower in urban landscape context than in semi-natural and agricultural ones. In particular, insects such as Syrphidae and solitary bees that mostly visited the open flower functional group were significantly impacted by urbanisation, which was not the case for bumblebees. Urbanisation also impacted the generalism of flower-visitors and we detected higher interaction evenness in urban landscape context than in agricultural and suburban ones. Finally, in urban context, these modifications lowered the potential reproductive success of the open flowers functional group. Our findings show that open flower plant species and their specific flower-visitors are especially sensitive to increasing urbanisation. These results provide new clues to improve conservation measures within urbanised areas in favour of specialist flower-visitors. To complete this functional approach, studies using networks resolved to the species level along urbanised gradients would be required.
Plant Pollinator Networks along a Gradient of Urbanisation
Geslin, Benoît; Gauzens, Benoit; Thébault, Elisa; Dajoz, Isabelle
2013-01-01
Background Habitat loss is one of the principal causes of the current pollinator decline. With agricultural intensification, increasing urbanisation is among the main drivers of habitat loss. Consequently studies focusing on pollinator community structure along urbanisation gradients have increased in recent years. However, few studies have investigated how urbanisation affects plant-pollinator interaction networks. Here we assessed modifications of plant-pollinator interactions along an urbanisation gradient based on the study of their morphological relationships. Methodology/Principal Findings Along an urbanisation gradient comprising four types of landscape contexts (semi-natural, agricultural, suburban, urban), we set up experimental plant communities containing two plant functional groups differing in their morphological traits (“open flowers” and “tubular flowers”). Insect visitations on these communities were recorded to build plant-pollinator networks. A total of 17 857 interactions were recorded between experimental plant communities and flower-visitors. The number of interactions performed by flower-visitors was significantly lower in urban landscape context than in semi-natural and agricultural ones. In particular, insects such as Syrphidae and solitary bees that mostly visited the open flower functional group were significantly impacted by urbanisation, which was not the case for bumblebees. Urbanisation also impacted the generalism of flower-visitors and we detected higher interaction evenness in urban landscape context than in agricultural and suburban ones. Finally, in urban context, these modifications lowered the potential reproductive success of the open flowers functional group. Conclusions/Significance Our findings show that open flower plant species and their specific flower-visitors are especially sensitive to increasing urbanisation. These results provide new clues to improve conservation measures within urbanised areas in favour of specialist flower-visitors. To complete this functional approach, studies using networks resolved to the species level along urbanised gradients would be required. PMID:23717421
Helping Students Design HyperCard Stacks.
ERIC Educational Resources Information Center
Dunham, Ken
1995-01-01
Discusses how to teach students to design HyperCard stacks. Highlights include introducing HyperCard, developing storyboards, introducing design concepts and scripts, presenting stacks, evaluating storyboards, and continuing projects. A sidebar presents a HyperCard stack evaluation form. (AEF)
Buckley, Conor T; Meyer, Eric G; Kelly, Daniel J
2012-02-01
Engineering cartilaginous tissue of a scale necessary to treat defects observed clinically is a well-documented challenge in the field of cartilage tissue engineering. The objective of this study was to determine how the composition and mechanical properties of cartilaginous tissues that are engineered by using bone marrow-derived mesenchymal stem cells (MSCs) depend on the scale of the construct. Porcine bone marrow-derived MSCs were encapsulated in agarose hydrogels, and constructs of different cylindrical geometries (Ø4×1.5 mm; Ø5×3 mm; Ø6×4.5 mm; Ø8×4.5 mm) were fabricated and maintained in a chemically defined serum-free medium supplemented with transforming growth factor-β3 for 42 days. Total sulfated glycosaminoglycan (sGAG) accumulation by day 42 increased from 0.14% w/w to 0.88% w/w as the construct geometry increased from Ø4×1.5 to Ø8×4.5 mm, with collagen accumulation increasing from 0.31% w/w to 1.62% w/w. This led to an increase in the dynamic modulus from 90.81 to 327.51 kPa as the engineered tissue increased in scale from Ø4×1.5 to Ø8×4.5 mm. By decreasing the external oxygen tension from 20% to 5%, it was possible to achieve these higher levels of mechanical functionality in the smaller engineered tissues. Constructs were then sectioned into smaller subregions to quantify the spatial accumulation of extracellular matrix components, and a model of oxygen diffusion and consumption was used to predict spatial gradients in oxygen concentration throughout the construct. sGAG accumulation was always highest in regions where oxygen concentration was predicted to be lowest. In addition, as the size of the engineered construct increased, different regions of the construct preferentially supported either sGAG or collagen accumulation, thus suggesting that gradients in regulatory factors other than oxygen were playing a role in determining levels of collagen synthesis. The identification of such factors and the means to control their spatial concentration within developing tissues represents a central challenge in engineering large cartilaginous grafts.
Thermodynamic Paradigm for Solution Demixing Inspired by Nuclear Transport in Living Cells
NASA Astrophysics Data System (ADS)
Wang, Ching-Hao; Mehta, Pankaj; Elbaum, Michael
2017-04-01
Living cells display a remarkable capacity to compartmentalize their functional biochemistry. A particularly fascinating example is the cell nucleus. Exchange of macromolecules between the nucleus and the surrounding cytoplasm does not involve traversing a lipid bilayer membrane. Instead, large protein channels known as nuclear pores cross the nuclear envelope and regulate the passage of other proteins and RNA molecules. Beyond simply gating diffusion, the system of nuclear pores and associated transport receptors is able to generate substantial concentration gradients, at the energetic expense of guanosine triphosphate hydrolysis. In contrast to conventional approaches to demixing such as reverse osmosis and dialysis, the biological system operates continuously, without application of cyclic changes in pressure or solvent exchange. Abstracting the biological paradigm, we examine this transport system as a thermodynamic machine of solution demixing. Building on the construct of free energy transduction and biochemical kinetics, we find conditions for the stable operation and optimization of the concentration gradients as a function of dissipation in the form of entropy production.
Navier-Stokes dynamics on a differential one-form
NASA Astrophysics Data System (ADS)
Story, Troy L.
2006-11-01
After transforming the Navier-Stokes dynamic equation into a characteristic differential one-form on an odd-dimensional differentiable manifold, exterior calculus is used to construct a pair of differential equations and tangent vector(vortex vector) characteristic of Hamiltonian geometry. A solution to the Navier-Stokes dynamic equation is then obtained by solving this pair of equations for the position x^k and the conjugate to the position bk as functions of time. The solution bk is shown to be divergence-free by contracting the differential 3-form corresponding to the divergence of the gradient of the velocity with a triple of tangent vectors, implying constraints on two of the tangent vectors for the system. Analysis of the solution bk shows it is bounded since it remains finite as | x^k | ->,, and is physically reasonable since the square of the gradient of the principal function is bounded. By contracting the characteristic differential one-form with the vortex vector, the Lagrangian is obtained.
Query construction, entropy, and generalization in neural-network models
NASA Astrophysics Data System (ADS)
Sollich, Peter
1994-05-01
We study query construction algorithms, which aim at improving the generalization ability of systems that learn from examples by choosing optimal, nonredundant training sets. We set up a general probabilistic framework for deriving such algorithms from the requirement of optimizing a suitable objective function; specifically, we consider the objective functions entropy (or information gain) and generalization error. For two learning scenarios, the high-low game and the linear perceptron, we evaluate the generalization performance obtained by applying the corresponding query construction algorithms and compare it to training on random examples. We find qualitative differences between the two scenarios due to the different structure of the underlying rules (nonlinear and ``noninvertible'' versus linear); in particular, for the linear perceptron, random examples lead to the same generalization ability as a sequence of queries in the limit of an infinite number of examples. We also investigate learning algorithms which are ill matched to the learning environment and find that, in this case, minimum entropy queries can in fact yield a lower generalization ability than random examples. Finally, we study the efficiency of single queries and its dependence on the learning history, i.e., on whether the previous training examples were generated randomly or by querying, and the difference between globally and locally optimal query construction.
Holdo, Ricardo M; Nippert, Jesse B; Mack, Michelle C
2018-01-01
A significant fraction of the terrestrial biosphere comprises biomes containing tree-grass mixtures. Forecasting vegetation dynamics in these environments requires a thorough understanding of how trees and grasses use and compete for key belowground resources. There is disagreement about the extent to which tree-grass vertical root separation occurs in these ecosystems, how this overlap varies across large-scale environmental gradients, and what these rooting differences imply for water resource availability and tree-grass competition and coexistence. To assess the extent of tree-grass rooting overlap and how tree and grass rooting patterns vary across resource gradients, we examined landscape-level patterns of tree and grass functional rooting depth along a mean annual precipitation (MAP) gradient extending from ~ 450 to ~ 750 mm year -1 in Kruger National Park, South Africa. We used stable isotopes from soil and stem water to make inferences about relative differences in rooting depth between these two functional groups. We found clear differences in rooting depth between grasses and trees across the MAP gradient, with grasses generally exhibiting shallower rooting profiles than trees. We also found that trees tended to become more shallow-rooted as a function of MAP, to the point that trees and grasses largely overlapped in terms of rooting depth at the wettest sites. Our results reconcile previously conflicting evidence for rooting overlap in this system, and have important implications for understanding tree-grass dynamics under altered precipitation scenarios.
The caudate: a key node in the neuronal network imbalance of insomnia?
Altena, Ellemarije; van der Werf, Ysbrand D.; Sanz-Arigita, Ernesto J.; Voorn, Thom A.; Astill, Rebecca G.; Strijers, Rob L. M.; Waterman, Dé; Van Someren, Eus J. W.
2014-01-01
Insomnia is prevalent, severe and partially heritable. Unfortunately, its neuronal correlates remain enigmatic, hampering the development of mechanistic models and rational treatments. Consistently reported impairments concern fragmented sleep, hyper-arousal and executive dysfunction. Because fronto-striatal networks could well play a role in sleep, arousal regulation and executive functioning, the present series of studies used an executive task to evaluate fronto-striatal functioning in disturbed sleep. Patients with insomnia showed reduced recruitment of the head of the left caudate nucleus during executive functioning, which was not secondary to altered performance or baseline perfusion. Individual differences in caudate recruitment were associated with hyper-arousal severity. Seed-based functional connectivity analysis suggested that attenuated input from a projecting orbitofrontal area with reduced grey matter density contributes to altered caudate recruitment in patients with insomnia. Attenuated caudate recruitment persisted after successful treatment of insomnia, warranting evaluation as a potential vulnerability trait. A similar selective reduction in caudate recruitment could be elicited in participants without sleep complaints by slow-wave sleep fragmentation, providing a model to facilitate investigation of the causes and consequences of insomnia. PMID:24285642
Rimvall, M K; Clemmensen, L; Munkholm, A; Rask, C U; Larsen, J T; Skovgaard, A M; Simons, C J P; van Os, J; Jeppesen, P
2016-10-01
Auditory verbal hallucinations (AVH) are common during development and may arise due to dysregulation in top-down processing of sensory input. This study was designed to examine the frequency and correlates of speech illusions measured using the White Noise (WN) task in children from the general population. Associations between speech illusions and putative risk factors for psychotic disorder and negative affect were examined. A total of 1486 children aged 11-12 years of the Copenhagen Child Cohort 2000 were examined with the WN task. Psychotic experiences and negative affect were determined using the Kiddie-SADS-PL. Register data described family history of mental disorders. Exaggerated Theory of Mind functioning (hyper-ToM) was measured by the ToM Storybook Frederik. A total of 145 (10%) children experienced speech illusions (hearing speech in the absence of speech stimuli), of which 102 (70%) experienced illusions perceived by the child as positive or negative (affectively salient). Experiencing hallucinations during the last month was associated with affectively salient speech illusions in the WN task [general cognitive ability: adjusted odds ratio (aOR) 2.01, 95% confidence interval (CI) 1.03-3.93]. Negative affect, both last month and lifetime, was also associated with affectively salient speech illusions (aOR 2.01, 95% CI 1.05-3.83 and aOR 1.79, 95% CI 1.11-2.89, respectively). Speech illusions were not associated with delusions, hyper-ToM or family history of mental disorders. Speech illusions were elicited in typically developing children in a WN-test paradigm, and point to an affective pathway to AVH mediated by dysregulation in top-down processing of sensory input.
Density-functional theory applied to d- and f-electron systems
NASA Astrophysics Data System (ADS)
Wu, Xueyuan
Density functional theory (DFT) has been applied to study the electronic and geometric structures of prototype d- and f-electron systems. For the d-electron system, all electron DFT with gradient corrections to the exchange and correlation functionals has been used to investigate the properties of small neutral and cationic vanadium clusters. Results are in good agreement with available experimental and other theoretical data. For the f-electron system, a hybrid DFT, namely, B3LYP (Becke's 3-parameter hybrid functional using the correlation functional of Lee, Yang and Parr) with relativistic effective core potentials and cluster models has been applied to investigate the nature of chemical bonding of both the bulk and the surfaces of plutonium monoxide and dioxide. Using periodic models, the electronic and geometric structures of PuO2 and its (110) surface, as well as water adsorption on this surface have also been investigated using DFT in both local density approximation (LDA) and generalized gradient approximation (GGA) formalisms.
Risso, Guillermo J.; Pawellek, Andrea; Ule, Jernej; Lamond, Angus I.; Kornblihtt, Alberto R.
2012-01-01
Chromatin structure is an important factor in the functional coupling between transcription and mRNA processing, not only by regulating alternative splicing events, but also by contributing to exon recognition during constitutive splicing. We observed that depolarization of neuroblastoma cell membrane potential, which triggers general histone acetylation and regulates alternative splicing, causes a concentration of SR proteins in nuclear speckles. This prompted us to analyze the effect of chromatin structure on splicing factor distribution and dynamics. Here, we show that induction of histone hyper-acetylation results in the accumulation in speckles of multiple splicing factors in different cell types. In addition, a similar effect is observed after depletion of the heterochromatic protein HP1α, associated with repressive chromatin. We used advanced imaging approaches to analyze in detail both the structural organization of the speckle compartment and nuclear distribution of splicing factors, as well as studying direct interactions between splicing factors and their association with chromatin in vivo. The results support a model where perturbation of normal chromatin structure decreases the recruitment efficiency of splicing factors to nascent RNAs, thus causing their accumulation in speckles, which buffer the amount of free molecules in the nucleoplasm. To test this, we analyzed the recruitment of the general splicing factor U2AF65 to nascent RNAs by iCLIP technique, as a way to monitor early spliceosome assembly. We demonstrate that indeed histone hyper-acetylation decreases recruitment of U2AF65 to bulk 3′ splice sites, coincident with the change in its localization. In addition, prior to the maximum accumulation in speckles, ∼20% of genes already show a tendency to decreased binding, while U2AF65 seems to increase its binding to the speckle-located ncRNA MALAT1. All together, the combined imaging and biochemical approaches support a model where chromatin structure is essential for efficient co-transcriptional recruitment of general and regulatory splicing factors to pre-mRNA. PMID:23152763
Tonelli, Paul; Mouret, Jean-Baptiste
2013-01-01
A major goal of bio-inspired artificial intelligence is to design artificial neural networks with abilities that resemble those of animal nervous systems. It is commonly believed that two keys for evolving nature-like artificial neural networks are (1) the developmental process that links genes to nervous systems, which enables the evolution of large, regular neural networks, and (2) synaptic plasticity, which allows neural networks to change during their lifetime. So far, these two topics have been mainly studied separately. The present paper shows that they are actually deeply connected. Using a simple operant conditioning task and a classic evolutionary algorithm, we compare three ways to encode plastic neural networks: a direct encoding, a developmental encoding inspired by computational neuroscience models, and a developmental encoding inspired by morphogen gradients (similar to HyperNEAT). Our results suggest that using a developmental encoding could improve the learning abilities of evolved, plastic neural networks. Complementary experiments reveal that this result is likely the consequence of the bias of developmental encodings towards regular structures: (1) in our experimental setup, encodings that tend to produce more regular networks yield networks with better general learning abilities; (2) whatever the encoding is, networks that are the more regular are statistically those that have the best learning abilities. PMID:24236099
Engineering software development with HyperCard
NASA Technical Reports Server (NTRS)
Darko, Robert J.
1990-01-01
The successful and unsuccessful techniques used in the development of software using HyperCard are described. The viability of the HyperCard for engineering is evaluated and the future use of HyperCard by this particular group of developers is discussed.
Genetics Home Reference: X-linked hyper IgM syndrome
... Home Health Conditions X-linked hyper IgM syndrome X-linked hyper IgM syndrome Printable PDF Open All ... Javascript to view the expand/collapse boxes. Description X-linked hyper IgM syndrome is a condition that ...
A Computer Program for the Management of Prescription-Based Problems.
ERIC Educational Resources Information Center
Cotter, Patricia M.; Gumtow, Robert H.
1991-01-01
The Prescription Management Program, a software program using Apple's HyperCard on a MacIntosh, was developed to simplify the creation, storage, modification, and general management of prescription-based problems. Pharmacy instructors may customize the program to serve their individual teaching needs. (Author/DB)
Biotechnological potential of microbial consortia and future perspectives.
Bhatia, Shashi Kant; Bhatia, Ravi Kant; Choi, Yong-Keun; Kan, Eunsung; Kim, Yun-Gon; Yang, Yung-Hun
2018-05-15
Design of a microbial consortium is a newly emerging field that enables researchers to extend the frontiers of biotechnology from a pure culture to mixed cultures. A microbial consortium enables microbes to use a broad range of carbon sources. It provides microbes with robustness in response to environmental stress factors. Microbes in a consortium can perform complex functions that are impossible for a single organism. With advancement of technology, it is now possible to understand microbial interaction mechanism and construct consortia. Microbial consortia can be classified in terms of their construction, modes of interaction, and functions. Here we discuss different trends in the study of microbial functions and interactions, including single-cell genomics (SCG), microfluidics, fluorescent imaging, and membrane separation. Community profile studies using polymerase chain-reaction denaturing gradient gel electrophoresis (PCR-DGGE), amplified ribosomal DNA restriction analysis (ARDRA), and terminal restriction fragment-length polymorphism (T-RFLP) are also reviewed. We also provide a few examples of their possible applications in areas of biopolymers, bioenergy, biochemicals, and bioremediation.
Efficient, Multi-Scale Designs Take Flight
NASA Technical Reports Server (NTRS)
2003-01-01
Engineers can solve aerospace design problems faster and more efficiently with a versatile software product that performs automated structural analysis and sizing optimization. Collier Research Corporation's HyperSizer Structural Sizing Software is a design, analysis, and documentation tool that increases productivity and standardization for a design team. Based on established aerospace structural methods for strength, stability, and stiffness, HyperSizer can be used all the way from the conceptual design to in service support. The software originated from NASA s efforts to automate its capability to perform aircraft strength analyses, structural sizing, and weight prediction and reduction. With a strategy to combine finite element analysis with an automated design procedure, NASA s Langley Research Center led the development of a software code known as ST-SIZE from 1988 to 1995. Collier Research employees were principal developers of the code along with Langley researchers. The code evolved into one that could analyze the strength and stability of stiffened panels constructed of any material, including light-weight, fiber-reinforced composites.
Geometrical structure of Neural Networks: Geodesics, Jeffrey's Prior and Hyper-ribbons
NASA Astrophysics Data System (ADS)
Hayden, Lorien; Alemi, Alex; Sethna, James
2014-03-01
Neural networks are learning algorithms which are employed in a host of Machine Learning problems including speech recognition, object classification and data mining. In practice, neural networks learn a low dimensional representation of high dimensional data and define a model manifold which is an embedding of this low dimensional structure in the higher dimensional space. In this work, we explore the geometrical structure of a neural network model manifold. A Stacked Denoising Autoencoder and a Deep Belief Network are trained on handwritten digits from the MNIST database. Construction of geodesics along the surface and of slices taken from the high dimensional manifolds reveal a hierarchy of widths corresponding to a hyper-ribbon structure. This property indicates that neural networks fall into the class of sloppy models, in which certain parameter combinations dominate the behavior. Employing this information could prove valuable in designing both neural network architectures and training algorithms. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship under Grant No . DGE-1144153.
Framework for analyzing hyper-viscoelastic polymers
NASA Astrophysics Data System (ADS)
Trivedi, Akash; Siviour, Clive
2017-06-01
Hyper-viscoelastic polymers have multiple areas of application including aerospace, biomedicine, and automotive. Their mechanical responses are therefore extremely important to understand, particularly because they exhibit strong rate and temperature dependence, including a low temperature brittle transition. Relationships between the response at various strain rates and temperatures are investigated and a framework developed to predict response at rates where experiments are unfeasible. A master curve of the storage modulus's rate dependence at a reference temperature is constructed using a DMA test of the polymer. A frequency sweep spanning two decades and a temperature range from pre-glass transition to pre-melt is used. A fractional derivative model is fitted to the experimental data, and this model's parameters are used to derive stress-strain relationships at a desired strain rate. Finite element simulations with this constitutive model are used for verification with experimental data. This material is based upon work supported by the Air Force Office of Scientific Research, Air Force Materiel Command, USAF under Award No. FA9550-15-1-0448.
The HyperV 8000 μg, 50 km/s Plasma Railgun for PLX
NASA Astrophysics Data System (ADS)
Brockington, Samuel; Case, Andrew; Messer, Sarah; Wu, Linchun; Witherspoon, F. Douglas
2012-10-01
HyperV has developed a gas fed, pulsed, plasma railgun which accelerates 8000 μg of argon to 50 km/s meeting the performance requirements originally specified for the Plasma Liner Experiment (PLX). The present 2.5 cm square-bore plasma railgun forms plasma armatures from high density neutral gas, pre-ionizes it electro-thermally, and accelerates the armature with 30 cm long parallel-plate railgun electrodes driven by a pulse forming network (PFN). A high voltage, high current linear array spark-gap switch and flexible, low-inductance transmission line were designed and constructed to handle the increased current load. We will describe these systems and present initial performance data from high current operation of the plasma rail gun from spectroscopy, interferometry, and imaging systems. Measurements of momentum, pressure, magnetic field, and other optical diagnostics will also be discussed as well as plans for upcoming experimentation to increase performance even further. Work supported by USDOE under DE-FG02-05ER54810 and DE-FG02-08ER85114.
Yamagishi, Kenji; Kimura, Toshiyuki; Oita, Sigeru; Sugiura, Tatsuki; Hirai, Hirofumi
2007-10-01
Phanerochaete sordida YK-624 is a hyper lignin-degrading basidiomycete possessing greater ligninolytic selectivity than either P. chrysosporium or Trametes versicolor. To construct a gene transformation system for P. sordida YK-624, uracil auxotrophic mutants were generated using a combination of ultraviolet (UV) radiation and 5-fluoroorotate resistance as a selection scheme. An uracil auxotrophic strain (UV-64) was transformed into a uracil prototroph using the marker plasmid pPsURA5 containing the orotate phosphoribosyltransferase gene from P. sordida YK-624. This system generated approximately 50 stable transformants using 2 x 10(7) protoplasts. Southern blot analysis demonstrated that the transformed pPsURA5 was ectopically integrated into the chromosomal DNA of all transformants. The enhanced green fluorescent protein (EGFP) gene was also introduced into UV-64. The transformed EGFP was expressed in the co-transformants driven by P. sordida glyceraldehyde-3-phosphate dehydrogenase gene promoter and terminator regions.
NASA Astrophysics Data System (ADS)
Zhang, Cheng; Wenbo, Mei; Huiqian, Du; Zexian, Wang
2018-04-01
A new algorithm was proposed for medical images fusion in this paper, which combined gradient minimization smoothing filter (GMSF) with non-sampled directional filter bank (NSDFB). In order to preserve more detail information, a multi scale edge preserving decomposition framework (MEDF) was used to decompose an image into a base image and a series of detail images. For the fusion of base images, the local Gaussian membership function is applied to construct the fusion weighted factor. For the fusion of detail images, NSDFB was applied to decompose each detail image into multiple directional sub-images that are fused by pulse coupled neural network (PCNN) respectively. The experimental results demonstrate that the proposed algorithm is superior to the compared algorithms in both visual effect and objective assessment.
HyperCLIPS: A HyperCard interface to CLIPS
NASA Technical Reports Server (NTRS)
Pickering, Brad; Hill, Randall W., Jr.
1990-01-01
HyperCLIPS combines the intuitive, interactive user interface of the Apple Macintosh(TM) with the powerful symbolic computation of an expert system interpreter. HyperCard(TM) is an excellent environment for quickly developing the front end of an application with buttons, dialogs, and pictures, while the CLIPS interpreter provides a powerful inference engine for complex problem solving and analysis. By integrating HyperCard and CLIPS the advantages and uses of both packages are made available for a wide range of uses: rapid prototyping of knowledge-based expert systems, interactive simulations of physical systems, and intelligent control of hypertext processes, to name a few. Interfacing HyperCard and CLIPS is natural. HyperCard was designed to be extended through the use of external commands (XCMDs), and CLIPS was designed to be embedded through the use of the I/O router facilities and callable interface routines. With the exception of some technical difficulties which will be discussed later, HyperCLIPS implements this interface in a straight forward manner, using the facilities provided. An XCMD called 'ClipsX' was added to HyperCard to give access to the CLIPS routines: clear, load, reset, and run. And an I/O router was added to CLIPS to handle the communication of data between CLIPS and HyperCard.
Hyperunified field theory and gravitational gauge-geometry duality
NASA Astrophysics Data System (ADS)
Wu, Yue-Liang
2018-01-01
A hyperunified field theory is built in detail based on the postulates of gauge invariance and coordinate independence along with the conformal scaling symmetry. All elementary particles are merged into a single hyper-spinor field and all basic forces are unified into a fundamental interaction governed by the hyper-spin gauge symmetry SP(1, D_h-1). The dimension D_h of hyper-spacetime is conjectured to have a physical origin in correlation with the hyper-spin charge of elementary particles. The hyper-gravifield fiber bundle structure of biframe hyper-spacetime appears naturally with the globally flat Minkowski hyper-spacetime as a base spacetime and the locally flat hyper-gravifield spacetime as a fiber that is viewed as a dynamically emerged hyper-spacetime characterized by a non-commutative geometry. The gravitational origin of gauge symmetry is revealed with the hyper-gravifield that plays an essential role as a Goldstone-like field. The gauge-gravity and gravity-geometry correspondences bring about the gravitational gauge-geometry duality. The basic properties of hyperunified field theory and the issue on the fundamental scale are analyzed within the framework of quantum field theory, which allows us to describe the laws of nature in deriving the gauge gravitational equation with the conserved current and the geometric gravitational equations of Einstein-like type and beyond.
NASA Astrophysics Data System (ADS)
Validi, AbdoulAhad
2014-03-01
This study introduces a non-intrusive approach in the context of low-rank separated representation to construct a surrogate of high-dimensional stochastic functions, e.g., PDEs/ODEs, in order to decrease the computational cost of Markov Chain Monte Carlo simulations in Bayesian inference. The surrogate model is constructed via a regularized alternative least-square regression with Tikhonov regularization using a roughening matrix computing the gradient of the solution, in conjunction with a perturbation-based error indicator to detect optimal model complexities. The model approximates a vector of a continuous solution at discrete values of a physical variable. The required number of random realizations to achieve a successful approximation linearly depends on the function dimensionality. The computational cost of the model construction is quadratic in the number of random inputs, which potentially tackles the curse of dimensionality in high-dimensional stochastic functions. Furthermore, this vector-valued separated representation-based model, in comparison to the available scalar-valued case, leads to a significant reduction in the cost of approximation by an order of magnitude equal to the vector size. The performance of the method is studied through its application to three numerical examples including a 41-dimensional elliptic PDE and a 21-dimensional cavity flow.
Wu, Ziyan; Mazzola, Catherine A; Catania, Lori; Owoeye, Oyindamola; Yaramothu, Chang; Alvarez, Tara; Gao, Yu; Li, Xiaobo
2018-06-01
This study aimed at understanding the neurobiological mechanisms associated with inattention induced by traumatic brain injury (TBI). To eliminate the potential confounding caused by the heterogeneity of TBI, we focused on young adults postsports-related concussion (SRC). Functional near-infrared spectroscopy (fNIRS) data were collected from 27 young adults post-SRC and 27 group-matched normal controls (NCs), while performing a visual sustained attention task. Task responsive cortical activation maps and pairwise functional connectivity among six regions of interest were constructed for each subject. Correlations among the brain imaging measures and clinical measures of attention were calculated in each group. Compared to the NCs, the SRC group showed significantly increased brain activation in left middle frontal gyrus (MFG) and increased functional connectivity between right inferior occipital cortex (IOC) bilateral calcarine gyri (CG). The left MFG activation magnitude was significantly negatively correlated with the hyperactive/impulsive symptom severity measure in the NCs, but not in the patients. The right hemisphere CG-IOC functional connectivity showed a significant positive correlation with the hyperactive/impulsive symptom severity measure in patients, but not in NCs. The current data suggest that abnormal left MFG activation and hyper-communications between right IOC and bilateral CG during visual attention processing may significantly contribute to behavioral manifestations of attention deficits in patients with TBI. © 2018 John Wiley & Sons Ltd.
Characterization of Generalized Young Measures Generated by Symmetric Gradients
NASA Astrophysics Data System (ADS)
De Philippis, Guido; Rindler, Filip
2017-06-01
This work establishes a characterization theorem for (generalized) Young measures generated by symmetric derivatives of functions of bounded deformation (BD) in the spirit of the classical Kinderlehrer-Pedregal theorem. Our result places such Young measures in duality with symmetric-quasiconvex functions with linear growth. The "local" proof strategy combines blow-up arguments with the singular structure theorem in BD (the analogue of Alberti's rank-one theorem in BV), which was recently proved by the authors. As an application of our characterization theorem we show how an atomic part in a BD-Young measure can be split off in generating sequences.
As part of a comparative watershed project investigating land cover/land use disturbance gradients for streams in the western Lake Suerior Basin, we wanted to determine the influence of hydrogeomorphic region, forest fragmentation, and watershed storage on fish assemblage structu...
Support vector machines and generalisation in HEP
NASA Astrophysics Data System (ADS)
Bevan, Adrian; Gamboa Goñi, Rodrigo; Hays, Jon; Stevenson, Tom
2017-10-01
We review the concept of Support Vector Machines (SVMs) and discuss examples of their use in a number of scenarios. Several SVM implementations have been used in HEP and we exemplify this algorithm using the Toolkit for Multivariate Analysis (TMVA) implementation. We discuss examples relevant to HEP including background suppression for H → τ + τ - at the LHC with several different kernel functions. Performance benchmarking leads to the issue of generalisation of hyper-parameter selection. The avoidance of fine tuning (over training or over fitting) in MVA hyper-parameter optimisation, i.e. the ability to ensure generalised performance of an MVA that is independent of the training, validation and test samples, is of utmost importance. We discuss this issue and compare and contrast performance of hold-out and k-fold cross-validation. We have extended the SVM functionality and introduced tools to facilitate cross validation in TMVA and present results based on these improvements.
Enhanced emotion-induced amnesia in borderline personality disorder
HURLEMANN, RENÉ; HAWELLEK, BARBARA; MAIER, WOLFGANG; DOLAN, RAYMOND J.
2009-01-01
Background Current biological concepts of borderline personality disorder (BPD) emphasize the interference of emotional hyperarousal and cognitive functions. A prototypical example is episodic memory. Pre-clinical investigations of emotion–episodic memory interactions have shown specific retrograde and anterograde episodic memory changes in response to emotional stimuli. These changes are amygdala dependent and vary as a function of emotional arousal and valence. Method To determine whether there is amygdala hyper-responsiveness to emotional stimuli as the underlying pathological substrate of cognitive dysfunction in BPD, 16 unmedicated female patients with BPD were tested on the behavioural indices of emotion-induced amnesia and hypermnesia established in 16 healthy controls. Results BPD patients displayed enhanced retrograde and anterograde amnesia in response to presentation of negative stimuli, while positive stimuli elicited no episodic memory-modulating effects. Conclusion These findings suggest that an amygdala hyper-responsiveness to negative stimuli may serve as a crucial aetiological contributor to emotion-induced cognitive dysfunction in BPD. PMID:17224096